diff --git a/doc/src/fix_filter_corotate.txt b/doc/src/fix_filter_corotate.txt
new file mode 100644
index 000000000..d22c85f09
--- /dev/null
+++ b/doc/src/fix_filter_corotate.txt
@@ -0,0 +1,84 @@
+"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
+
+:link(lws,http://lammps.sandia.gov)
+:link(ld,Manual.html)
+:link(lc,Section_commands.html#comm)
+
+:line
+
+fix filter/corotate command :h3
+
+[Syntax:]
+
+fix ID group-ID filter/corotate keyword value ... :pre
+
+ID, group-ID are documented in "fix"_fix.html command :ulb,l
+one or more constraint/value pairs are appended :l
+constraint = {b} or {a} or {t} or {m} :l
+ {b} values = one or more bond types
+ {a} values = one or more angle types
+ {t} values = one or more atom types
+ {m} value = one or more mass values :pre
+:ule
+
+[Examples:]
+
+timestep 8
+run_style respa 3 2 8 bond 1 pair 2 kspace 3
+fix cor all filter/corotate m 1.0 :pre
+
+fix cor all filter/corotate b 4 19 a 3 5 2 :pre
+
+[Description:]
+
+This fix implements a corotational filter for a mollified impulse method. In
+biomolecular simulations, it allows the usage of larger timesteps for
+long-range electrostatic interactions. For details, see "(Fath)"_#Fath2017.
+
+When using "run_style respa"_run_style.html for a biomolecular simulation with high-frequency covalent
+bonds, the outer time-step is restricted to below ~ 4fs due to resonance
+problems. This fix filters the outer stage of the respa and thus a larger
+(outer) time-step can be used. Since in large biomolecular simulations the
+computation of the long-range electrostatic contributions poses a major
+bottleneck, this can significantly accelerate the simulation.
+
+The filter computes a cluster decomposition of the molecular structure following
+the criteria indicated by the options a, b, t and m. This process is similar to
+the approach in "fix shake"_fix_shake.html, however, the clusters are not kept
+contrained. Instead, the position is slightly modified only for the computation
+of long-range forces. A good cluster decomposition constitutes in building
+clusters which contain the fastest covalent bonds inside clusters.
+
+If the clusters are chosen suitably, the "run_style respa"_run_style.html is stable for outer
+time-steps of at least 8fs.
+
+:line
+
+[Restart, fix_modify, output, run start/stop, minimize info:]
+
+No information about these fixes is written to "binary restart
+files"_restart.html. None of the "fix_modify"_fix_modify.html options
+are relevant to these fixes. No global or per-atom quantities are
+stored by these fixes for access by various "output
+commands"_Section_howto.html#howto_15. No parameter of these fixes
+can be used with the {start/stop} keywords of the "run"_run.html
+command. These fixes are not invoked during "energy
+minimization"_minimize.html.
+
+[Restrictions:]
+
+This fix is part of the USER-MISC package. It is only enabled if
+LAMMPS was built with that package. See the "Making
+LAMMPS"_Section_start.html#start_3 section for more info.
+
+Currently, it does not support "molecule templates"_molecule.html.
+
+[Related commands:]
+
+
+[Default:] none
+
+:line
+
+:link(Fath2017)
+[(Fath)] Fath, Hochbruck, Singh, J Comp Phys, 333, 180-198 (2017).
\ No newline at end of file
diff --git a/examples/USER/misc/filter-corotate/bpti/4pti.data b/examples/USER/misc/filter-corotate/bpti/4pti.data
new file mode 100644
index 000000000..aee9184c0
--- /dev/null
+++ b/examples/USER/misc/filter-corotate/bpti/4pti.data
@@ -0,0 +1,6587 @@
+Created by charmm2lammps v1.8.1 on Mi 27. Jan 08:43:59 CET 2016
+
+ 892 atoms
+ 906 bonds
+ 1626 angles
+ 2501 dihedrals
+ 137 impropers
+
+ 28 atom types
+ 51 bond types
+ 120 angle types
+ 232 dihedral types
+ 15 improper types
+
+ -10 50 xlo xhi
+ -10 50 ylo yhi
+ -30 30 zlo zhi
+
+Masses
+
+ 1 1.008 # H
+ 2 1.008 # HC
+ 3 1.008 # HA
+ 4 1.008 # HP
+ 5 1.008 # HB
+ 6 12.011 # C
+ 7 12.011 # CA
+ 8 12.011 # CT1
+ 9 12.011 # CT2
+ 10 12.011 # CT3
+ 11 12.011 # CP1
+ 12 12.011 # CP2
+ 13 12.011 # CP3
+ 14 12.011 # CC
+ 15 14.007 # N
+ 16 14.007 # NH1
+ 17 14.007 # NH2
+ 18 14.007 # NH3
+ 19 14.007 # NC2
+ 20 15.999 # O
+ 21 15.999 # OC
+ 22 15.999 # OH1
+ 23 32.06 # S
+ 24 32.06 # SM
+ 25 1.008 # HT
+ 26 15.9994 # OT
+ 27 35.45 # CLA
+ 28 22.98977 # SOD
+
+Pair Coeffs
+
+ 1 0.046 0.4000135 # 0.046 0.4000135 # H
+ 2 0.046 0.4000135 # 0.046 0.4000135 # HC
+ 3 0.022 2.351973 # 0.022 2.351973 # HA
+ 4 0.03 2.420037 # 0.03 2.420037 # HP
+ 5 0.022 2.351973 # 0.022 2.351973 # HB
+ 6 0.11 3.563595 # 0.11 3.563595 # C
+ 7 0.07 3.550053 # 0.07 3.550053 # CA
+ 8 0.02 4.053589 # 0.01 3.385415 # CT1
+ 9 0.055 3.875409 # 0.01 3.385415 # CT2
+ 10 0.08 3.670503 # 0.01 3.385415 # CT3
+ 11 0.02 4.053589 # 0.01 3.385415 # CP1
+ 12 0.055 3.875409 # 0.01 3.385415 # CP2
+ 13 0.055 3.875409 # 0.01 3.385415 # CP3
+ 14 0.07 3.563595 # 0.07 3.563595 # CC
+ 15 0.2 3.296325 # 0.0001 3.296325 # N
+ 16 0.2 3.296325 # 0.2 2.761786 # NH1
+ 17 0.2 3.296325 # 0.2 3.296325 # NH2
+ 18 0.2 3.296325 # 0.2 3.296325 # NH3
+ 19 0.2 3.296325 # 0.2 3.296325 # NC2
+ 20 0.12 3.029056 # 0.12 2.494516 # O
+ 21 0.12 3.029056 # 0.12 3.029056 # OC
+ 22 0.1521 3.153781 # 0.1521 3.153781 # OH1
+ 23 0.45 3.563595 # 0.45 3.563595 # S
+ 24 0.38 3.51905 # 0.38 3.51905 # SM
+ 25 0.046 0.4000135 # 0.046 0.4000135 # HT
+ 26 0.1521 3.150574 # 0.1521 3.150574 # OT
+ 27 0.15 4.04468 # 0.15 4.04468 # CLA
+ 28 0.0469 2.429926 # 0.0469 2.429926 # SOD
+
+Atoms
+
+ 1 1 18 -0.3 26.465 27.452 -2.49 # NH3
+ 2 1 2 0.33 25.974 27.9 -3.237 # HC
+ 3 1 2 0.33 27.052 26.729 -2.853 # HC
+ 4 1 2 0.33 27.017 28.122 -1.994 # HC
+ 5 1 8 0.21 25.497 26.862 -1.573 # CT1
+ 6 1 5 0.1 24.903 27.657 -1.139 # HB
+ 7 1 9 -0.18 24.583 25.804 -2.239 # CT2
+ 8 1 3 0.09 23.666 25.736 -1.606 # HA
+ 9 1 3 0.09 24.244 26.177 -3.231 # HA
+ 10 1 9 -0.18 25.091 24.375 -2.409 # CT2
+ 11 1 3 0.09 26.018 24.4 -3.023 # HA
+ 12 1 3 0.09 25.402 23.98 -1.414 # HA
+ 13 1 9 0.2 24.019 23.428 -2.996 # CT2
+ 14 1 3 0.09 24.459 22.415 -3.141 # HA
+ 15 1 3 0.09 23.136 23.341 -2.32 # HA
+ 16 1 19 -0.7 23.591 24.028 -4.287 # NC2
+ 17 1 2 0.44 22.696 24.486 -4.233 # HC
+ 18 1 6 0.64 24.299 23.972 -5.389 # C
+ 19 1 19 -0.8 25.432 23.261 -5.44 # NC2
+ 20 1 2 0.46 25.978 23.241 -6.266 # HC
+ 21 1 2 0.46 25.754 22.877 -4.572 # HC
+ 22 1 19 -0.8 23.721 24.373 -6.467 # NC2
+ 23 1 2 0.46 24.178 24.271 -7.339 # HC
+ 24 1 2 0.46 22.753 24.577 -6.407 # HC
+ 25 1 6 0.51 26.193 26.179 -0.437 # C
+ 26 1 20 -0.51 27.27 25.549 -0.624 # O
+ 27 2 15 -0.29 25.667 26.396 0.708 # N
+ 28 2 13 0 24.606 27.382 0.978 # CP3
+ 29 2 3 0.09 25.478 27.982 0.631 # HA
+ 30 2 3 0.09 23.663 27.767 0.526 # HA
+ 31 2 11 0.02 26.222 25.76 1.891 # CP1
+ 32 2 5 0.09 27.241 26.099 2.038 # HB
+ 33 2 12 -0.18 25.26 26.207 3.033 # CP2
+ 34 2 3 0.09 25.583 27.203 3.411 # HA
+ 35 2 3 0.09 25.237 25.491 3.879 # HA
+ 36 2 12 -0.18 24.512 27.428 2.493 # CP2
+ 37 2 3 0.09 24.117 28.082 3.295 # HA
+ 38 2 3 0.09 23.672 27.087 1.845 # HA
+ 39 2 6 0.51 26.207 24.242 1.83 # C
+ 40 2 20 -0.51 25.4 23.576 1.139 # O
+ 41 3 16 -0.47 27.17 23.634 2.462 # NH1
+ 42 3 1 0.31 27.898 24.092 2.965 # H
+ 43 3 8 0.07 27.284 22.163 2.498 # CT1
+ 44 3 5 0.09 27.355 21.833 1.468 # HB
+ 45 3 9 -0.28 28.425 21.747 3.461 # CT2
+ 46 3 3 0.09 28.41 22.407 4.351 # HA
+ 47 3 3 0.09 28.288 20.701 3.8 # HA
+ 48 3 14 0.62 29.791 21.886 2.787 # CC
+ 49 3 21 -0.76 29.875 22.104 1.543 # OC
+ 50 3 21 -0.76 30.806 21.501 3.431 # OC
+ 51 3 6 0.51 26.043 21.506 3.085 # C
+ 52 3 20 -0.51 25.752 20.35 2.705 # O
+ 53 4 16 -0.47 25.394 22.184 4.041 # NH1
+ 54 4 1 0.31 25.64 23.072 4.425 # H
+ 55 4 8 0.07 24.172 21.585 4.618 # CT1
+ 56 4 5 0.09 24.485 20.603 4.953 # HB
+ 57 4 9 -0.18 23.692 22.331 5.862 # CT2
+ 58 4 3 0.09 22.822 21.792 6.297 # HA
+ 59 4 3 0.09 24.483 22.359 6.642 # HA
+ 60 4 7 0 23.192 23.779 5.639 # CA
+ 61 4 7 -0.115 21.961 24.002 5.06 # CA
+ 62 4 4 0.115 21.356 23.161 4.748 # HP
+ 63 4 7 -0.115 21.497 25.281 4.869 # CA
+ 64 4 4 0.115 20.524 25.443 4.428 # HP
+ 65 4 7 -0.115 22.277 26.363 5.249 # CA
+ 66 4 4 0.115 21.941 27.378 5.091 # HP
+ 67 4 7 -0.115 23.951 24.841 6.05 # CA
+ 68 4 4 0.115 24.913 24.671 6.513 # HP
+ 69 4 7 -0.115 23.51 26.124 5.854 # CA
+ 70 4 4 0.115 24.122 26.958 6.169 # HP
+ 71 4 6 0.51 23.009 21.375 3.624 # C
+ 72 4 20 -0.51 22.082 20.603 3.921 # O
+ 73 5 16 -0.47 23.095 22.004 2.522 # NH1
+ 74 5 1 0.31 23.843 22.631 2.313 # H
+ 75 5 8 0.07 22.106 21.863 1.467 # CT1
+ 76 5 5 0.09 21.135 21.942 1.941 # HB
+ 77 5 9 -0.1 22.358 22.904 0.371 # CT2
+ 78 5 3 0.09 23.411 22.778 0.032 # HA
+ 79 5 3 0.09 21.722 22.681 -0.514 # HA
+ 80 5 24 -0.08 22.145 24.592 0.888 # SM
+ 81 5 6 0.51 22.192 20.518 0.83 # C
+ 82 5 20 -0.51 21.23 20.068 0.167 # O
+ 83 6 16 -0.47 23.326 19.826 1.008 # NH1
+ 84 6 1 0.31 24.141 20.141 1.49 # H
+ 85 6 8 0.07 23.436 18.46 0.459 # CT1
+ 86 6 5 0.09 22.788 18.447 -0.408 # HB
+ 87 6 9 -0.18 24.898 18.084 0.131 # CT2
+ 88 6 3 0.09 25.443 18.006 1.1 # HA
+ 89 6 3 0.09 24.918 17.065 -0.316 # HA
+ 90 6 8 -0.09 25.572 19.129 -0.776 # CT1
+ 91 6 3 0.09 25.596 20.032 -0.119 # HA
+ 92 6 10 -0.27 27.037 18.695 -1.116 # CT3
+ 93 6 3 0.09 27.509 19.424 -1.809 # HA
+ 94 6 3 0.09 27.654 18.642 -0.193 # HA
+ 95 6 3 0.09 27.048 17.697 -1.603 # HA
+ 96 6 10 -0.27 24.791 19.488 -2.049 # CT3
+ 97 6 3 0.09 25.338 20.259 -2.633 # HA
+ 98 6 3 0.09 24.65 18.606 -2.706 # HA
+ 99 6 3 0.09 23.79 19.895 -1.789 # HA
+ 100 6 6 0.51 22.958 17.365 1.407 # C
+ 101 6 20 -0.51 22.938 16.18 0.999 # O
+ 102 7 16 -0.47 22.545 17.716 2.628 # NH1
+ 103 7 1 0.31 22.529 18.626 3.032 # H
+ 104 7 8 0.07 22.039 16.646 3.528 # CT1
+ 105 7 5 0.09 22.645 15.758 3.402 # HB
+ 106 7 9 -0.18 21.764 17.217 4.92 # CT2
+ 107 7 3 0.09 20.871 17.88 4.853 # HA
+ 108 7 3 0.09 21.483 16.395 5.616 # HA
+ 109 7 9 -0.28 22.814 18.035 5.647 # CT2
+ 110 7 3 0.09 23.61 17.365 6.02 # HA
+ 111 7 3 0.09 23.261 18.794 4.975 # HA
+ 112 7 14 0.62 22.152 18.707 6.87 # CC
+ 113 7 21 -0.76 22.98 19.1 7.718 # OC
+ 114 7 21 -0.76 21.086 19.404 6.779 # OC
+ 115 7 6 0.51 20.616 16.285 3.113 # C
+ 116 7 20 -0.51 19.86 17.136 2.576 # O
+ 117 8 15 -0.29 20.254 15.031 3.334 # N
+ 118 8 13 0 21.107 14.009 3.934 # CP3
+ 119 8 3 0.09 21.793 13.937 3.059 # HA
+ 120 8 3 0.09 21.689 14.134 4.876 # HA
+ 121 8 11 0.02 18.892 14.554 3.034 # CP1
+ 122 8 5 0.09 18.556 14.845 2.045 # HB
+ 123 8 12 -0.18 18.91 13.045 3.274 # CP2
+ 124 8 3 0.09 19.279 12.536 2.355 # HA
+ 125 8 3 0.09 17.911 12.64 3.534 # HA
+ 126 8 12 -0.18 20.226 12.742 4.021 # CP2
+ 127 8 3 0.09 20.561 11.693 3.898 # HA
+ 128 8 3 0.09 20.092 12.964 5.105 # HA
+ 129 8 6 0.51 17.954 15.16 4.079 # C
+ 130 8 20 -0.51 18.443 15.606 5.146 # O
+ 131 9 15 -0.29 16.682 15.232 3.767 # N
+ 132 9 13 0 16.09 14.597 2.574 # CP3
+ 133 9 3 0.09 16.462 15.319 1.812 # HA
+ 134 9 3 0.09 16.367 13.555 2.292 # HA
+ 135 9 11 0.02 15.69 15.852 4.661 # CP1
+ 136 9 5 0.09 15.977 16.859 4.942 # HB
+ 137 9 12 -0.18 14.367 15.707 3.867 # CP2
+ 138 9 3 0.09 14.274 16.56 3.158 # HA
+ 139 9 3 0.09 13.473 15.685 4.523 # HA
+ 140 9 12 -0.18 14.571 14.716 2.71 # CP2
+ 141 9 3 0.09 13.847 14.861 1.884 # HA
+ 142 9 3 0.09 14.485 13.675 3.099 # HA
+ 143 9 6 0.51 15.55 15.006 5.916 # C
+ 144 9 20 -0.51 15.693 13.769 5.836 # O
+ 145 10 16 -0.47 15.365 15.63 7.042 # NH1
+ 146 10 1 0.31 15.251 16.618 7.126 # H
+ 147 10 8 0.07 15.31 14.908 8.298 # CT1
+ 148 10 5 0.09 15.352 13.849 8.072 # HB
+ 149 10 9 -0.18 16.532 15.383 9.122 # CT2
+ 150 10 3 0.09 17.465 15.08 8.598 # HA
+ 151 10 3 0.09 16.545 16.492 9.202 # HA
+ 152 10 7 0 16.608 14.781 10.525 # CA
+ 153 10 7 -0.115 17.132 13.535 10.707 # CA
+ 154 10 4 0.115 17.465 12.962 9.852 # HP
+ 155 10 7 -0.115 17.216 12.999 11.982 # CA
+ 156 10 4 0.115 17.594 11.999 12.134 # HP
+ 157 10 7 0.11 16.808 13.746 13.047 # CA
+ 158 10 22 -0.54 16.878 13.192 14.372 # OH1
+ 159 10 1 0.43 16.62 13.882 14.987 # H
+ 160 10 7 -0.115 16.155 15.523 11.588 # CA
+ 161 10 4 0.115 15.689 16.484 11.417 # HP
+ 162 10 7 -0.115 16.266 14.985 12.862 # CA
+ 163 10 4 0.115 15.902 15.542 13.712 # HP
+ 164 10 6 0.51 13.953 15.177 8.952 # C
+ 165 10 20 -0.51 13.699 16.32 9.382 # O
+ 166 11 16 -0.47 13.161 14.146 9.088 # NH1
+ 167 11 1 0.31 13.387 13.203 8.845 # H
+ 168 11 8 0.07 11.802 14.321 9.642 # CT1
+ 169 11 5 0.09 11.434 15.257 9.244 # HB
+ 170 11 8 0.14 10.963 13.105 9.273 # CT1
+ 171 11 3 0.09 11.604 12.213 9.477 # HA
+ 172 11 22 -0.66 10.706 13.192 7.854 # OH1
+ 173 11 1 0.43 10.166 12.423 7.643 # H
+ 174 11 10 -0.27 9.611 13.152 10.045 # CT3
+ 175 11 3 0.09 9.03 12.22 9.881 # HA
+ 176 11 3 0.09 9.791 13.254 11.136 # HA
+ 177 11 3 0.09 8.99 14.012 9.713 # HA
+ 178 11 6 0.51 11.855 14.484 11.146 # C
+ 179 11 20 -0.51 11.105 15.314 11.759 # O
+ 180 12 16 -0.47 12.789 13.76 11.726 # NH1
+ 181 12 1 0.31 13.385 13.097 11.274 # H
+ 182 12 9 -0.02 13.002 13.922 13.198 # CT2
+ 183 12 5 0.09 12.706 14.92 13.49 # HB
+ 184 12 5 0.09 14.026 13.674 13.441 # HB
+ 185 12 6 0.51 12.107 12.944 13.909 # C
+ 186 12 20 -0.51 11.333 12.212 13.239 # O
+ 187 13 15 -0.29 12.235 12.905 15.21 # N
+ 188 13 13 0 13.281 13.627 15.925 # CP3
+ 189 13 3 0.09 14.19 13.183 15.46 # HA
+ 190 13 3 0.09 13.319 14.739 15.871 # HA
+ 191 13 11 0.02 11.516 11.958 16.067 # CP1
+ 192 13 5 0.09 11.509 11.001 15.559 # HB
+ 193 13 12 -0.18 12.272 11.936 17.37 # CP2
+ 194 13 3 0.09 13.113 11.212 17.289 # HA
+ 195 13 3 0.09 11.634 11.652 18.231 # HA
+ 196 13 12 -0.18 13.164 13.172 17.399 # CP2
+ 197 13 3 0.09 14.034 13.061 18.075 # HA
+ 198 13 3 0.09 12.56 14.053 17.715 # HA
+ 199 13 6 0.51 10.094 12.319 16.468 # C
+ 200 13 20 -0.51 9.44 11.442 17.052 # O
+ 201 14 16 -0.47 9.629 13.519 16.214 # NH1
+ 202 14 1 0.31 10.174 14.196 15.723 # H
+ 203 14 8 0.07 8.29 13.98 16.616 # CT1
+ 204 14 5 0.09 8.005 13.387 17.477 # HB
+ 205 14 9 -0.1 8.279 15.441 16.967 # CT2
+ 206 14 3 0.09 8.747 15.988 16.118 # HA
+ 207 14 3 0.09 7.23 15.807 17.027 # HA
+ 208 14 24 -0.08 9.221 15.735 18.49 # SM
+ 209 14 6 0.51 7.268 13.72 15.515 # C
+ 210 14 20 -0.51 7.672 13.397 14.387 # O
+ 211 15 16 -0.47 6.027 13.68 15.869 # NH1
+ 212 15 1 0.31 5.692 13.952 16.77 # H
+ 213 15 8 0.07 5.005 13.22 14.945 # CT1
+ 214 15 5 0.09 5.517 12.984 14.02 # HB
+ 215 15 9 -0.18 4.31 11.998 15.592 # CT2
+ 216 15 3 0.09 3.83 12.354 16.533 # HA
+ 217 15 3 0.09 3.484 11.658 14.928 # HA
+ 218 15 9 -0.18 5.273 10.848 15.913 # CT2
+ 219 15 3 0.09 6.171 11.258 16.428 # HA
+ 220 15 3 0.09 4.776 10.146 16.621 # HA
+ 221 15 9 -0.18 5.781 10.034 14.702 # CT2
+ 222 15 3 0.09 4.91 9.522 14.232 # HA
+ 223 15 3 0.09 6.193 10.748 13.952 # HA
+ 224 15 9 0.21 6.855 9.016 15.126 # CT2
+ 225 15 3 0.05 7.711 9.533 15.615 # HA
+ 226 15 3 0.05 6.433 8.279 15.844 # HA
+ 227 15 18 -0.3 7.357 8.291 13.953 # NH3
+ 228 15 2 0.33 8.084 7.605 14.242 # HC
+ 229 15 2 0.33 6.571 7.789 13.493 # HC
+ 230 15 2 0.33 7.771 8.967 13.28 # HC
+ 231 15 6 0.51 3.964 14.283 14.63 # C
+ 232 15 20 -0.51 2.777 13.949 14.377 # O
+ 233 16 16 -0.47 4.325 15.549 14.618 # NH1
+ 234 16 1 0.31 5.223 15.809 14.972 # H
+ 235 16 8 0.07 3.513 16.64 14.122 # CT1
+ 236 16 5 0.09 2.471 16.527 14.397 # HB
+ 237 16 10 -0.27 3.984 17.995 14.67 # CT3
+ 238 16 3 0.09 3.892 18.002 15.777 # HA
+ 239 16 3 0.09 5.05 18.18 14.415 # HA
+ 240 16 3 0.09 3.373 18.833 14.27 # HA
+ 241 16 6 0.51 3.561 16.615 12.586 # C
+ 242 16 20 -0.51 4.27 15.752 12.023 # O
+ 243 17 16 -0.47 2.781 17.425 11.943 # NH1
+ 244 17 1 0.31 2.214 18.113 12.39 # H
+ 245 17 8 0.07 2.7 17.355 10.457 # CT1
+ 246 17 5 0.09 3.523 16.758 10.082 # HB
+ 247 17 9 -0.18 1.32 16.787 9.97 # CT2
+ 248 17 3 0.09 0.533 17.418 10.449 # HA
+ 249 17 3 0.09 1.217 16.948 8.874 # HA
+ 250 17 9 -0.18 1.186 15.339 10.395 # CT2
+ 251 17 3 0.09 2.055 14.771 9.997 # HA
+ 252 17 3 0.09 1.272 15.278 11.504 # HA
+ 253 17 9 0.2 -0.17 14.751 9.963 # CT2
+ 254 17 3 0.09 -0.324 14.936 8.875 # HA
+ 255 17 3 0.09 -0.217 13.653 10.148 # HA
+ 256 17 19 -0.7 -1.132 15.455 10.801 # NC2
+ 257 17 2 0.44 -1.421 16.339 10.415 # HC
+ 258 17 6 0.64 -1.531 14.913 11.939 # C
+ 259 17 19 -0.8 -1.172 13.658 12.165 # NC2
+ 260 17 2 0.46 -1.463 13.191 12.988 # HC
+ 261 17 2 0.46 -0.72 13.182 11.408 # HC
+ 262 17 19 -0.8 -2.202 15.647 12.795 # NC2
+ 263 17 2 0.46 -2.431 15.281 13.686 # HC
+ 264 17 2 0.46 -2.273 16.616 12.596 # HC
+ 265 17 6 0.51 2.875 18.731 9.887 # C
+ 266 17 20 -0.51 1.878 19.47 9.653 # O
+ 267 18 16 -0.47 4.154 19.11 9.817 # NH1
+ 268 18 1 0.31 4.899 18.49 10.057 # H
+ 269 18 8 0.07 4.595 20.444 9.391 # CT1
+ 270 18 5 0.09 3.7 21.045 9.289 # HB
+ 271 18 8 -0.09 5.59 20.988 10.452 # CT1
+ 272 18 3 0.09 6.369 20.189 10.542 # HA
+ 273 18 10 -0.27 5.985 22.451 10.085 # CT3
+ 274 18 3 0.09 6.811 22.808 10.736 # HA
+ 275 18 3 0.09 6.334 22.515 9.033 # HA
+ 276 18 3 0.09 5.122 23.139 10.211 # HA
+ 277 18 9 -0.18 4.792 21.062 11.815 # CT2
+ 278 18 3 0.09 3.918 21.742 11.703 # HA
+ 279 18 3 0.09 4.393 20.05 12.055 # HA
+ 280 18 10 -0.27 5.689 21.536 12.955 # CT3
+ 281 18 3 0.09 5.13 21.527 13.915 # HA
+ 282 18 3 0.09 6.573 20.871 13.061 # HA
+ 283 18 3 0.09 6.047 22.572 12.776 # HA
+ 284 18 6 0.51 5.249 20.388 8.012 # C
+ 285 18 20 -0.51 6.193 19.612 7.834 # O
+ 286 19 16 -0.47 4.586 20.956 7.035 # NH1
+ 287 19 1 0.31 3.72 21.449 7.084 # H
+ 288 19 8 0.07 5.154 20.879 5.697 # CT1
+ 289 19 5 0.09 5.609 19.902 5.597 # HB
+ 290 19 8 -0.09 4.095 21.205 4.648 # CT1
+ 291 19 3 0.09 3.8 22.263 4.867 # HA
+ 292 19 10 -0.27 4.655 20.93 3.25 # CT3
+ 293 19 3 0.09 3.961 21.306 2.47 # HA
+ 294 19 3 0.09 5.63 21.441 3.107 # HA
+ 295 19 3 0.09 4.802 19.841 3.088 # HA
+ 296 19 9 -0.18 2.836 20.317 4.886 # CT2
+ 297 19 3 0.09 2.375 20.572 5.866 # HA
+ 298 19 3 0.09 2.081 20.543 4.098 # HA
+ 299 19 10 -0.27 3.122 18.814 4.85 # CT3
+ 300 19 3 0.09 2.178 18.239 4.968 # HA
+ 301 19 3 0.09 3.586 18.526 3.882 # HA
+ 302 19 3 0.09 3.809 18.519 5.671 # HA
+ 303 19 6 0.51 6.286 21.912 5.572 # C
+ 304 19 20 -0.51 6.156 23.146 5.785 # O
+ 305 20 16 -0.47 7.451 21.372 5.297 # NH1
+ 306 20 1 0.31 7.62 20.391 5.235 # H
+ 307 20 8 0.07 8.602 22.257 5.06 # CT1
+ 308 20 5 0.09 8.274 23.29 5.042 # HB
+ 309 20 9 -0.18 9.698 21.897 6.092 # CT2
+ 310 20 3 0.09 9.848 20.793 6.02 # HA
+ 311 20 3 0.09 10.663 22.358 5.786 # HA
+ 312 20 9 -0.18 9.226 22.3 7.493 # CT2
+ 313 20 3 0.09 8.229 21.842 7.676 # HA
+ 314 20 3 0.09 9.907 21.846 8.249 # HA
+ 315 20 9 0.2 9.248 23.85 7.622 # CT2
+ 316 20 3 0.09 10.282 24.222 7.439 # HA
+ 317 20 3 0.09 8.56 24.331 6.888 # HA
+ 318 20 19 -0.7 8.81 24.311 8.962 # NC2
+ 319 20 2 0.44 7.852 24.619 8.981 # HC
+ 320 20 6 0.64 9.575 24.336 10.075 # C
+ 321 20 19 -0.8 10.888 24.077 10.044 # NC2
+ 322 20 2 0.46 11.422 24.077 10.878 # HC
+ 323 20 2 0.46 11.257 23.755 9.169 # HC
+ 324 20 19 -0.8 9.05 24.893 11.17 # NC2
+ 325 20 2 0.46 9.607 25.01 11.98 # HC
+ 326 20 2 0.46 8.182 25.36 11.063 # HC
+ 327 20 6 0.51 9.15 21.95 3.673 # C
+ 328 20 20 -0.51 8.84 20.896 3.088 # O
+ 329 21 16 -0.47 10.178 22.695 3.318 # NH1
+ 330 21 1 0.31 10.494 23.474 3.858 # H
+ 331 21 8 0.07 10.959 22.444 2.085 # CT1
+ 332 21 5 0.09 10.473 21.613 1.588 # HB
+ 333 21 9 -0.18 10.997 23.77 1.282 # CT2
+ 334 21 3 0.09 11.22 24.61 1.976 # HA
+ 335 21 3 0.09 11.808 23.746 0.523 # HA
+ 336 21 7 0 9.641 24.038 0.627 # CA
+ 337 21 7 -0.115 8.639 24.592 1.399 # CA
+ 338 21 4 0.115 8.818 24.797 2.446 # HP
+ 339 21 7 -0.115 7.403 24.861 0.831 # CA
+ 340 21 4 0.115 6.605 25.281 1.425 # HP
+ 341 21 7 0.11 7.215 24.576 -0.494 # CA
+ 342 21 22 -0.54 5.879 24.769 -1.06 # OH1
+ 343 21 1 0.43 5.937 24.595 -2.002 # H
+ 344 21 7 -0.115 9.451 23.725 -0.691 # CA
+ 345 21 4 0.115 10.242 23.247 -1.252 # HP
+ 346 21 7 -0.115 8.213 23.993 -1.249 # CA
+ 347 21 4 0.115 8.019 23.725 -2.277 # HP
+ 348 21 6 0.51 12.407 22.01 2.386 # C
+ 349 21 20 -0.51 12.987 22.512 3.378 # O
+ 350 22 16 -0.47 12.977 21.141 1.535 # NH1
+ 351 22 1 0.31 12.513 20.621 0.82 # H
+ 352 22 8 0.07 14.449 20.892 1.626 # CT1
+ 353 22 5 0.09 14.882 21.676 2.235 # HB
+ 354 22 9 -0.18 14.664 19.435 2.142 # CT2
+ 355 22 3 0.09 15.746 19.277 2.345 # HA
+ 356 22 3 0.09 14.123 19.265 3.098 # HA
+ 357 22 7 0 14.283 18.276 1.191 # CA
+ 358 22 7 -0.115 15.29 17.639 0.506 # CA
+ 359 22 4 0.115 16.318 17.933 0.67 # HP
+ 360 22 7 -0.115 14.981 16.632 -0.392 # CA
+ 361 22 4 0.115 15.771 16.117 -0.92 # HP
+ 362 22 7 -0.115 13.673 16.262 -0.626 # CA
+ 363 22 4 0.115 13.444 15.473 -1.328 # HP
+ 364 22 7 -0.115 12.962 17.907 0.976 # CA
+ 365 22 4 0.115 12.167 18.411 1.507 # HP
+ 366 22 7 -0.115 12.638 16.909 0.061 # CA
+ 367 22 4 0.115 11.602 16.649 -0.108 # HP
+ 368 22 6 0.51 15.018 21.045 0.237 # C
+ 369 22 20 -0.51 14.25 20.837 -0.74 # O
+ 370 23 16 -0.47 16.336 21.281 0.152 # NH1
+ 371 23 1 0.31 16.966 21.456 0.907 # H
+ 372 23 8 0.07 16.948 21.292 -1.153 # CT1
+ 373 23 5 0.09 16.188 21.606 -1.858 # HB
+ 374 23 9 -0.18 18.188 22.194 -1.071 # CT2
+ 375 23 3 0.09 17.872 23.223 -0.794 # HA
+ 376 23 3 0.09 18.881 21.838 -0.278 # HA
+ 377 23 7 0 18.906 22.263 -2.442 # CA
+ 378 23 7 -0.115 20.089 21.621 -2.663 # CA
+ 379 23 4 0.115 20.525 21.013 -1.882 # HP
+ 380 23 7 -0.115 20.733 21.779 -3.896 # CA
+ 381 23 4 0.115 21.674 21.287 -4.091 # HP
+ 382 23 7 0.11 20.185 22.562 -4.864 # CA
+ 383 23 22 -0.54 20.826 22.768 -6.115 # OH1
+ 384 23 1 0.43 20.232 23.288 -6.661 # H
+ 385 23 7 -0.115 18.361 23.033 -3.436 # CA
+ 386 23 4 0.115 17.439 23.57 -3.26 # HP
+ 387 23 7 -0.115 18.991 23.185 -4.662 # CA
+ 388 23 4 0.115 18.541 23.806 -5.423 # HP
+ 389 23 6 0.51 17.365 19.888 -1.542 # C
+ 390 23 20 -0.51 18.009 19.184 -0.744 # O
+ 391 24 16 -0.47 16.913 19.453 -2.726 # NH1
+ 392 24 1 0.31 16.288 19.985 -3.295 # H
+ 393 24 8 0.07 17.295 18.16 -3.291 # CT1
+ 394 24 5 0.09 17.706 17.583 -2.47 # HB
+ 395 24 9 -0.18 16.052 17.558 -3.946 # CT2
+ 396 24 3 0.09 15.298 17.382 -3.148 # HA
+ 397 24 3 0.09 15.611 18.275 -4.668 # HA
+ 398 24 14 0.55 16.354 16.227 -4.626 # CC
+ 399 24 20 -0.55 17.531 15.754 -4.725 # O
+ 400 24 17 -0.62 15.234 15.549 -4.87 # NH2
+ 401 24 1 0.32 15.324 14.657 -5.304 # H
+ 402 24 1 0.3 14.354 15.924 -4.594 # H
+ 403 24 6 0.51 18.406 18.332 -4.341 # C
+ 404 24 20 -0.51 18.166 18.843 -5.464 # O
+ 405 25 16 -0.47 19.655 18.124 -3.871 # NH1
+ 406 25 1 0.31 19.835 17.761 -2.957 # H
+ 407 25 8 0.07 20.851 18.42 -4.681 # CT1
+ 408 25 5 0.09 20.854 19.473 -4.937 # HB
+ 409 25 10 -0.27 22.112 18.071 -3.866 # CT3
+ 410 25 3 0.09 22.116 18.652 -2.919 # HA
+ 411 25 3 0.09 22.132 16.99 -3.605 # HA
+ 412 25 3 0.09 23.041 18.318 -4.424 # HA
+ 413 25 6 0.51 20.92 17.65 -6.01 # C
+ 414 25 20 -0.51 21.385 18.257 -6.997 # O
+ 415 26 16 -0.47 20.333 16.48 -6.081 # NH1
+ 416 26 1 0.31 19.924 15.993 -5.311 # H
+ 417 26 8 0.07 20.244 15.784 -7.383 # CT1
+ 418 26 5 0.09 21.229 15.827 -7.831 # HB
+ 419 26 9 -0.18 19.732 14.353 -7.259 # CT2
+ 420 26 3 0.09 18.812 14.387 -6.631 # HA
+ 421 26 3 0.09 19.412 13.995 -8.263 # HA
+ 422 26 9 -0.18 20.8 13.485 -6.626 # CT2
+ 423 26 3 0.09 21.724 13.533 -7.246 # HA
+ 424 26 3 0.09 21.053 13.896 -5.622 # HA
+ 425 26 9 -0.18 20.299 12.037 -6.533 # CT2
+ 426 26 3 0.09 19.417 12.013 -5.852 # HA
+ 427 26 3 0.09 19.948 11.726 -7.544 # HA
+ 428 26 9 0.21 21.387 11.067 -6.033 # CT2
+ 429 26 3 0.05 20.997 10.025 -6.004 # HA
+ 430 26 3 0.05 22.272 11.092 -6.706 # HA
+ 431 26 18 -0.3 21.821 11.437 -4.681 # NH3
+ 432 26 2 0.33 22.554 10.778 -4.349 # HC
+ 433 26 2 0.33 22.205 12.404 -4.692 # HC
+ 434 26 2 0.33 21.007 11.4 -4.035 # HC
+ 435 26 6 0.51 19.287 16.482 -8.327 # C
+ 436 26 20 -0.51 19.478 16.369 -9.556 # O
+ 437 27 16 -0.47 18.213 17.041 -7.772 # NH1
+ 438 27 1 0.31 18.039 17.106 -6.79 # H
+ 439 27 8 0.07 17.182 17.617 -8.631 # CT1
+ 440 27 5 0.09 17.158 17.113 -9.59 # HB
+ 441 27 10 -0.27 15.833 17.423 -7.901 # CT3
+ 442 27 3 0.09 15.642 16.339 -7.753 # HA
+ 443 27 3 0.09 15.847 17.907 -6.9 # HA
+ 444 27 3 0.09 14.987 17.844 -8.486 # HA
+ 445 27 6 0.51 17.468 19.07 -8.921 # C
+ 446 27 20 -0.51 16.909 19.707 -9.863 # O
+ 447 28 16 -0.47 18.299 19.622 -8.061 # NH1
+ 448 28 1 0.31 18.739 19.17 -7.286 # H
+ 449 28 9 -0.02 18.626 21.036 -8.237 # CT2
+ 450 28 5 0.09 18.735 21.166 -9.305 # HB
+ 451 28 5 0.09 19.538 21.188 -7.675 # HB
+ 452 28 6 0.51 17.588 22.051 -7.738 # C
+ 453 28 20 -0.51 17.702 23.258 -8.056 # O
+ 454 29 16 -0.47 16.632 21.566 -6.97 # NH1
+ 455 29 1 0.31 16.554 20.616 -6.676 # H
+ 456 29 8 0.07 15.576 22.432 -6.478 # CT1
+ 457 29 5 0.09 16.042 23.377 -6.231 # HB
+ 458 29 9 -0.18 14.553 22.765 -7.568 # CT2
+ 459 29 3 0.09 13.713 23.308 -7.076 # HA
+ 460 29 3 0.09 15.008 23.486 -8.283 # HA
+ 461 29 8 -0.09 14.018 21.514 -8.283 # CT1
+ 462 29 3 0.09 14.942 20.995 -8.635 # HA
+ 463 29 10 -0.27 13.211 20.593 -7.394 # CT3
+ 464 29 3 0.09 12.814 19.736 -7.979 # HA
+ 465 29 3 0.09 13.841 20.192 -6.571 # HA
+ 466 29 3 0.09 12.351 21.135 -6.946 # HA
+ 467 29 10 -0.27 13.189 21.898 -9.518 # CT3
+ 468 29 3 0.09 12.824 20.985 -10.037 # HA
+ 469 29 3 0.09 12.304 22.507 -9.244 # HA
+ 470 29 3 0.09 13.806 22.481 -10.235 # HA
+ 471 29 6 0.51 14.947 21.88 -5.199 # C
+ 472 29 20 -0.51 15.304 20.784 -4.719 # O
+ 473 30 16 -0.47 14.114 22.692 -4.605 # NH1
+ 474 30 1 0.31 13.783 23.572 -4.941 # H
+ 475 30 8 0.07 13.591 22.3 -3.306 # CT1
+ 476 30 5 0.09 14.301 21.585 -2.907 # HB
+ 477 30 9 -0.1 13.406 23.628 -2.54 # CT2
+ 478 30 3 0.09 12.784 24.294 -3.18 # HA
+ 479 30 3 0.09 12.814 23.451 -1.615 # HA
+ 480 30 24 -0.08 14.977 24.433 -2.196 # SM
+ 481 30 6 0.51 12.246 21.612 -3.398 # C
+ 482 30 20 -0.51 11.508 21.862 -4.381 # O
+ 483 31 16 -0.47 12.005 20.672 -2.53 # NH1
+ 484 31 1 0.31 12.629 20.475 -1.776 # H
+ 485 31 8 0.07 10.813 19.821 -2.569 # CT1
+ 486 31 5 0.09 10.088 20.269 -3.238 # HB
+ 487 31 9 -0.18 11.11 18.377 -3.007 # CT2
+ 488 31 3 0.09 11.887 17.983 -2.311 # HA
+ 489 31 3 0.09 10.203 17.749 -2.848 # HA
+ 490 31 9 -0.18 11.604 18.464 -4.496 # CT2
+ 491 31 3 0.09 10.781 18.811 -5.158 # HA
+ 492 31 3 0.09 12.443 19.184 -4.59 # HA
+ 493 31 14 0.55 12.041 17.093 -4.992 # CC
+ 494 31 20 -0.55 12.104 16.884 -6.223 # O
+ 495 31 17 -0.62 12.461 16.246 -4.115 # NH2
+ 496 31 1 0.32 12.748 15.354 -4.452 # H
+ 497 31 1 0.3 12.47 16.494 -3.152 # H
+ 498 31 6 0.51 10.208 19.822 -1.167 # C
+ 499 31 20 -0.51 10.918 20.218 -0.21 # O
+ 500 32 16 -0.47 8.983 19.459 -1.072 # NH1
+ 501 32 1 0.31 8.363 19.186 -1.807 # H
+ 502 32 8 0.07 8.377 19.428 0.28 # CT1
+ 503 32 5 0.09 8.93 20.152 0.863 # HB
+ 504 32 8 0.14 6.844 19.7 0.273 # CT1
+ 505 32 3 0.09 6.472 19.407 1.285 # HA
+ 506 32 22 -0.66 6.304 18.825 -0.706 # OH1
+ 507 32 1 0.43 5.358 19.004 -0.716 # H
+ 508 32 10 -0.27 6.585 21.149 -0.177 # CT3
+ 509 32 3 0.09 5.509 21.406 -0.082 # HA
+ 510 32 3 0.09 7.162 21.859 0.453 # HA
+ 511 32 3 0.09 6.886 21.299 -1.236 # HA
+ 512 32 6 0.51 8.573 18.1 0.95 # C
+ 513 32 20 -0.51 8.785 17.013 0.347 # O
+ 514 33 16 -0.47 8.526 18.187 2.28 # NH1
+ 515 33 1 0.31 8.452 19.037 2.799 # H
+ 516 33 8 0.07 8.582 16.999 3.087 # CT1
+ 517 33 5 0.09 8.054 16.216 2.557 # HB
+ 518 33 9 -0.18 10.066 16.503 3.399 # CT2
+ 519 33 3 0.09 10.026 15.468 3.804 # HA
+ 520 33 3 0.09 10.68 16.469 2.473 # HA
+ 521 33 7 0 10.84 17.324 4.462 # CA
+ 522 33 7 -0.115 11.188 16.711 5.67 # CA
+ 523 33 4 0.115 10.892 15.687 5.855 # HP
+ 524 33 7 -0.115 11.912 17.453 6.617 # CA
+ 525 33 4 0.115 12.19 17.002 7.559 # HP
+ 526 33 7 -0.115 12.277 18.763 6.344 # CA
+ 527 33 4 0.115 12.826 19.336 7.078 # HP
+ 528 33 7 -0.115 11.224 18.619 4.188 # CA
+ 529 33 4 0.115 10.942 19.08 3.252 # HP
+ 530 33 7 -0.115 11.948 19.333 5.129 # CA
+ 531 33 4 0.115 12.259 20.346 4.914 # HP
+ 532 33 6 0.51 7.801 17.273 4.382 # C
+ 533 33 20 -0.51 7.554 18.469 4.665 # O
+ 534 34 16 -0.47 7.455 16.22 5.116 # NH1
+ 535 34 1 0.31 7.628 15.267 4.882 # H
+ 536 34 8 0.07 6.756 16.414 6.39 # CT1
+ 537 34 5 0.09 6.318 17.404 6.407 # HB
+ 538 34 8 -0.09 5.716 15.281 6.557 # CT1
+ 539 34 3 0.09 6.271 14.311 6.553 # HA
+ 540 34 10 -0.27 4.973 15.432 7.882 # CT3
+ 541 34 3 0.09 4.2 14.64 7.983 # HA
+ 542 34 3 0.09 5.659 15.336 8.749 # HA
+ 543 34 3 0.09 4.464 16.418 7.937 # HA
+ 544 34 10 -0.27 4.667 15.326 5.371 # CT3
+ 545 34 3 0.09 3.892 14.541 5.502 # HA
+ 546 34 3 0.09 4.161 16.315 5.335 # HA
+ 547 34 3 0.09 5.159 15.15 4.392 # HA
+ 548 34 6 0.51 7.798 16.359 7.491 # C
+ 549 34 20 -0.51 8.422 15.296 7.692 # O
+ 550 35 16 -0.47 7.953 17.509 8.095 # NH1
+ 551 35 1 0.31 7.506 18.351 7.798 # H
+ 552 35 8 0.07 8.816 17.659 9.286 # CT1
+ 553 35 5 0.09 9.611 16.925 9.234 # HB
+ 554 35 9 -0.18 9.26 19.136 9.274 # CT2
+ 555 35 3 0.09 9.918 19.311 8.395 # HA
+ 556 35 3 0.09 8.382 19.809 9.167 # HA
+ 557 35 7 0 10.066 19.506 10.54 # CA
+ 558 35 7 -0.115 11.058 18.668 11.032 # CA
+ 559 35 4 0.115 11.297 17.753 10.508 # HP
+ 560 35 7 -0.115 11.713 19.022 12.217 # CA
+ 561 35 4 0.115 12.471 18.379 12.639 # HP
+ 562 35 7 0.11 11.371 20.211 12.851 # CA
+ 563 35 22 -0.54 12.04 20.579 14.049 # OH1
+ 564 35 1 0.43 11.727 21.451 14.298 # H
+ 565 35 7 -0.115 9.728 20.678 11.181 # CA
+ 566 35 4 0.115 8.919 21.288 10.802 # HP
+ 567 35 7 -0.115 10.401 21.042 12.346 # CA
+ 568 35 4 0.115 10.14 21.96 12.851 # HP
+ 569 35 6 0.51 7.941 17.294 10.498 # C
+ 570 35 20 -0.51 6.818 17.832 10.661 # O
+ 571 36 16 -0.47 8.505 16.505 11.4 # NH1
+ 572 36 1 0.31 9.438 16.159 11.311 # H
+ 573 36 9 -0.02 7.774 16.076 12.622 # CT2
+ 574 36 5 0.09 8.316 15.219 12.997 # HB
+ 575 36 5 0.09 6.765 15.857 12.299 # HB
+ 576 36 6 0.51 7.696 17.099 13.728 # C
+ 577 36 20 -0.51 6.978 16.835 14.718 # O
+ 578 37 16 -0.47 8.385 18.202 13.646 # NH1
+ 579 37 1 0.31 9.059 18.28 12.913 # H
+ 580 37 9 -0.02 8.275 19.366 14.533 # CT2
+ 581 37 5 0.09 7.309 19.286 15.013 # HB
+ 582 37 5 0.09 8.388 20.239 13.905 # HB
+ 583 37 6 0.51 9.338 19.43 15.62 # C
+ 584 37 20 -0.51 9.309 20.38 16.415 # O
+ 585 38 16 -0.47 10.317 18.555 15.61 # NH1
+ 586 38 1 0.31 10.373 17.761 15.008 # H
+ 587 38 8 0.07 11.453 18.707 16.541 # CT1
+ 588 38 5 0.09 11.542 19.771 16.726 # HB
+ 589 38 9 -0.1 11.179 18.055 17.937 # CT2
+ 590 38 3 0.09 11.993 18.385 18.621 # HA
+ 591 38 3 0.09 10.236 18.461 18.364 # HA
+ 592 38 24 -0.08 11.154 16.283 17.922 # SM
+ 593 38 6 0.51 12.763 18.232 15.95 # C
+ 594 38 20 -0.51 12.753 17.224 15.201 # O
+ 595 39 16 -0.47 13.828 18.788 16.529 # NH1
+ 596 39 1 0.31 13.692 19.524 17.188 # H
+ 597 39 8 0.07 15.222 18.387 16.262 # CT1
+ 598 39 5 0.09 15.864 19.017 16.866 # HB
+ 599 39 9 -0.18 15.486 16.941 16.719 # CT2
+ 600 39 3 0.09 14.972 16.279 15.982 # HA
+ 601 39 3 0.09 16.571 16.714 16.629 # HA
+ 602 39 9 -0.18 14.949 16.624 18.147 # CT2
+ 603 39 3 0.09 13.838 16.604 18.111 # HA
+ 604 39 3 0.09 15.258 15.591 18.429 # HA
+ 605 39 9 0.2 15.484 17.593 19.195 # CT2
+ 606 39 3 0.09 16.593 17.658 19.108 # HA
+ 607 39 3 0.09 15.055 18.614 19.065 # HA
+ 608 39 19 -0.7 15.081 17.068 20.497 # NC2
+ 609 39 2 0.44 14.686 16.144 20.446 # HC
+ 610 39 6 0.64 15.268 17.831 21.574 # C
+ 611 39 19 -0.8 15.87 19.02 21.453 # NC2
+ 612 39 2 0.46 16.037 19.584 22.25 # HC
+ 613 39 2 0.46 16.255 19.233 20.552 # HC
+ 614 39 19 -0.8 14.93 17.321 22.753 # NC2
+ 615 39 2 0.46 14.972 17.885 23.565 # HC
+ 616 39 2 0.46 14.448 16.455 22.745 # HC
+ 617 39 6 0.51 15.644 18.605 14.798 # C
+ 618 39 20 -0.51 16.306 17.708 14.224 # O
+ 619 40 16 -0.47 15.154 19.67 14.18 # NH1
+ 620 40 1 0.31 14.576 20.364 14.608 # H
+ 621 40 8 0.07 15.461 19.894 12.733 # CT1
+ 622 40 5 0.09 15.067 19.083 12.131 # HB
+ 623 40 10 -0.27 14.918 21.275 12.366 # CT3
+ 624 40 3 0.09 13.814 21.285 12.486 # HA
+ 625 40 3 0.09 15.341 22.06 13.03 # HA
+ 626 40 3 0.09 15.151 21.54 11.312 # HA
+ 627 40 6 0.51 16.969 19.924 12.482 # C
+ 628 40 20 -0.51 17.752 20.431 13.327 # O
+ 629 41 16 -0.47 17.282 19.622 11.271 # NH1
+ 630 41 1 0.31 16.626 19.18 10.661 # H
+ 631 41 8 0.07 18.585 19.887 10.687 # CT1
+ 632 41 5 0.09 19.265 20.166 11.483 # HB
+ 633 41 9 -0.18 18.961 18.612 9.934 # CT2
+ 634 41 3 0.09 18.043 18.257 9.411 # HA
+ 635 41 3 0.09 19.696 18.865 9.138 # HA
+ 636 41 9 -0.18 19.486 17.515 10.843 # CT2
+ 637 41 3 0.09 20.273 17.938 11.508 # HA
+ 638 41 3 0.09 18.657 17.157 11.496 # HA
+ 639 41 9 -0.18 20.043 16.425 9.926 # CT2
+ 640 41 3 0.09 19.196 15.976 9.359 # HA
+ 641 41 3 0.09 20.722 16.908 9.185 # HA
+ 642 41 9 0.21 20.782 15.386 10.779 # CT2
+ 643 41 3 0.05 21.779 15.772 11.087 # HA
+ 644 41 3 0.05 20.199 15.147 11.696 # HA
+ 645 41 18 -0.3 20.985 14.137 10.021 # NH3
+ 646 41 2 0.33 21.488 13.441 10.609 # HC
+ 647 41 2 0.33 20.062 13.748 9.739 # HC
+ 648 41 2 0.33 21.546 14.338 9.169 # HC
+ 649 41 6 0.51 18.461 21.087 9.753 # C
+ 650 41 20 -0.51 17.371 21.708 9.79 # O
+ 651 42 16 -0.47 19.577 21.644 9.215 # NH1
+ 652 42 1 0.31 20.454 21.174 9.277 # H
+ 653 42 8 0.07 19.571 22.903 8.543 # CT1
+ 654 42 5 0.09 18.983 23.588 9.142 # HB
+ 655 42 9 -0.18 20.981 23.47 8.429 # CT2
+ 656 42 3 0.09 21.637 22.623 8.115 # HA
+ 657 42 3 0.09 21.019 24.21 7.6 # HA
+ 658 42 9 -0.18 21.461 24.047 9.786 # CT2
+ 659 42 3 0.09 20.586 24.486 10.313 # HA
+ 660 42 3 0.09 21.81 23.209 10.433 # HA
+ 661 42 9 0.2 22.614 25.047 9.608 # CT2
+ 662 42 3 0.09 23.254 25.04 10.52 # HA
+ 663 42 3 0.09 23.246 24.79 8.726 # HA
+ 664 42 19 -0.7 22.119 26.404 9.384 # NC2
+ 665 42 2 0.44 21.122 26.444 9.251 # HC
+ 666 42 6 0.64 22.948 27.426 9.37 # C
+ 667 42 19 -0.8 24.253 27.187 9.415 # NC2
+ 668 42 2 0.46 24.902 27.935 9.432 # HC
+ 669 42 2 0.46 24.525 26.235 9.568 # HC
+ 670 42 19 -0.8 22.472 28.634 9.297 # NC2
+ 671 42 2 0.46 23.088 29.402 9.198 # HC
+ 672 42 2 0.46 21.498 28.723 9.132 # HC
+ 673 42 6 0.51 18.898 22.847 7.144 # C
+ 674 42 20 -0.51 18.476 23.93 6.69 # O
+ 675 43 16 -0.47 18.87 21.715 6.474 # NH1
+ 676 43 1 0.31 19.251 20.832 6.747 # H
+ 677 43 8 0.07 18.21 21.713 5.169 # CT1
+ 678 43 5 0.09 18.387 22.688 4.728 # HB
+ 679 43 9 -0.18 18.745 20.506 4.379 # CT2
+ 680 43 3 0.09 19.856 20.534 4.425 # HA
+ 681 43 3 0.09 18.416 19.559 4.853 # HA
+ 682 43 14 0.55 18.295 20.592 2.909 # CC
+ 683 43 20 -0.55 17.721 21.629 2.499 # O
+ 684 43 17 -0.62 18.664 19.564 2.134 # NH2
+ 685 43 1 0.32 18.398 19.595 1.174 # H
+ 686 43 1 0.3 19.208 18.823 2.515 # H
+ 687 43 6 0.51 16.671 21.559 5.372 # C
+ 688 43 20 -0.51 16.068 20.466 5.197 # O
+ 689 44 16 -0.47 16.097 22.643 5.82 # NH1
+ 690 44 1 0.31 16.559 23.529 5.842 # H
+ 691 44 8 0.07 14.676 22.662 6.349 # CT1
+ 692 44 5 0.09 14.073 22.113 5.634 # HB
+ 693 44 9 -0.18 14.577 21.951 7.736 # CT2
+ 694 44 3 0.09 14.951 20.911 7.613 # HA
+ 695 44 3 0.09 15.232 22.455 8.475 # HA
+ 696 44 14 0.55 13.128 21.861 8.301 # CC
+ 697 44 20 -0.55 12.432 22.889 8.208 # O
+ 698 44 17 -0.62 12.975 21.035 9.288 # NH2
+ 699 44 1 0.32 12.059 20.942 9.669 # H
+ 700 44 1 0.3 13.749 20.503 9.617 # H
+ 701 44 6 0.51 14.157 24.102 6.384 # C
+ 702 44 20 -0.51 14.715 24.959 7.12 # O
+ 703 45 16 -0.47 13.324 24.438 5.381 # NH1
+ 704 45 1 0.31 12.933 23.766 4.754 # H
+ 705 45 8 0.07 12.918 25.817 5.12 # CT1
+ 706 45 5 0.09 13.316 26.41 5.934 # HB
+ 707 45 9 -0.18 13.372 26.373 3.741 # CT2
+ 708 45 3 0.09 12.898 25.774 2.933 # HA
+ 709 45 3 0.09 13.042 27.425 3.605 # HA
+ 710 45 7 0 14.913 26.192 3.701 # CA
+ 711 45 7 -0.115 15.492 25.002 3.268 # CA
+ 712 45 4 0.115 14.862 24.154 3.037 # HP
+ 713 45 7 -0.115 16.877 24.881 3.132 # CA
+ 714 45 4 0.115 17.305 23.964 2.753 # HP
+ 715 45 7 -0.115 17.659 25.957 3.487 # CA
+ 716 45 4 0.115 18.732 25.866 3.393 # HP
+ 717 45 7 -0.115 15.705 27.252 4.053 # CA
+ 718 45 4 0.115 15.256 28.16 4.43 # HP
+ 719 45 7 -0.115 17.109 27.126 3.941 # CA
+ 720 45 4 0.115 17.748 27.954 4.216 # HP
+ 721 45 6 0.51 11.388 25.961 5.164 # C
+ 722 45 20 -0.51 10.669 24.966 4.915 # O
+ 723 46 16 -0.47 10.949 27.147 5.46 # NH1
+ 724 46 1 0.31 11.491 27.96 5.669 # H
+ 725 46 8 0.07 9.48 27.343 5.498 # CT1
+ 726 46 5 0.09 9.062 26.397 5.819 # HB
+ 727 46 9 -0.18 9.045 28.475 6.433 # CT2
+ 728 46 3 0.09 9.681 29.359 6.196 # HA
+ 729 46 3 0.09 8 28.767 6.186 # HA
+ 730 46 9 -0.18 9.258 27.946 7.875 # CT2
+ 731 46 3 0.09 8.507 27.151 8.086 # HA
+ 732 46 3 0.09 10.266 27.477 7.944 # HA
+ 733 46 9 -0.18 9.119 29.052 8.948 # CT2
+ 734 46 3 0.09 9.387 30.028 8.484 # HA
+ 735 46 3 0.09 8.048 29.11 9.25 # HA
+ 736 46 9 0.21 10.025 28.736 10.167 # CT2
+ 737 46 3 0.05 9.787 27.73 10.579 # HA
+ 738 46 3 0.05 11.097 28.751 9.871 # HA
+ 739 46 18 -0.3 9.826 29.728 11.231 # NH3
+ 740 46 2 0.33 10.437 29.506 12.044 # HC
+ 741 46 2 0.33 10.061 30.675 10.871 # HC
+ 742 46 2 0.33 8.831 29.715 11.534 # HC
+ 743 46 6 0.51 8.875 27.67 4.157 # C
+ 744 46 20 -0.51 7.634 27.623 4.057 # O
+ 745 47 16 -0.47 9.687 27.909 3.152 # NH1
+ 746 47 1 0.31 10.686 27.935 3.181 # H
+ 747 47 8 0.07 9.124 28.168 1.84 # CT1
+ 748 47 5 0.09 8.243 27.546 1.75 # HB
+ 749 47 9 0.05 8.778 29.648 1.642 # CT2
+ 750 47 3 0.09 8.157 29.738 0.722 # HA
+ 751 47 3 0.09 8.16 30.019 2.491 # HA
+ 752 47 22 -0.66 10 30.391 1.484 # OH1
+ 753 47 1 0.43 9.76 31.262 1.143 # H
+ 754 47 6 0.51 10.108 27.719 0.765 # C
+ 755 47 20 -0.51 11.332 27.66 1.047 # O
+ 756 48 16 -0.47 9.604 27.471 -0.422 # NH1
+ 757 48 1 0.31 8.635 27.471 -0.667 # H
+ 758 48 8 0.07 10.526 27.161 -1.512 # CT1
+ 759 48 5 0.09 11.187 26.352 -1.222 # HB
+ 760 48 10 -0.27 9.782 26.679 -2.783 # CT3
+ 761 48 3 0.09 9.168 25.786 -2.539 # HA
+ 762 48 3 0.09 9.101 27.468 -3.17 # HA
+ 763 48 3 0.09 10.492 26.397 -3.591 # HA
+ 764 48 6 0.51 11.423 28.346 -1.863 # C
+ 765 48 20 -0.51 12.634 28.115 -2.136 # O
+ 766 49 16 -0.47 10.966 29.57 -1.682 # NH1
+ 767 49 1 0.31 10.059 29.766 -1.319 # H
+ 768 49 8 0.07 11.751 30.764 -1.998 # CT1
+ 769 49 5 0.09 12.176 30.626 -2.985 # HB
+ 770 49 9 -0.18 10.871 32.022 -2.024 # CT2
+ 771 49 3 0.09 10.303 32.068 -1.066 # HA
+ 772 49 3 0.09 11.513 32.931 -2.042 # HA
+ 773 49 9 -0.28 9.868 32.069 -3.2 # CT2
+ 774 49 3 0.09 9.638 33.122 -3.447 # HA
+ 775 49 3 0.09 10.283 31.566 -4.096 # HA
+ 776 49 14 0.62 8.525 31.417 -2.847 # CC
+ 777 49 21 -0.76 7.573 31.562 -3.638 # OC
+ 778 49 21 -0.76 8.368 30.637 -1.865 # OC
+ 779 49 6 0.51 12.9 30.964 -1.04 # C
+ 780 49 20 -0.51 14.032 31.282 -1.463 # O
+ 781 50 16 -0.47 12.658 30.686 0.225 # NH1
+ 782 50 1 0.31 11.809 30.418 0.673 # H
+ 783 50 8 0.07 13.804 30.775 1.163 # CT1
+ 784 50 5 0.09 14.307 31.711 0.946 # HB
+ 785 50 9 -0.28 13.347 30.5 2.601 # CT2
+ 786 50 3 0.09 12.535 29.745 2.588 # HA
+ 787 50 3 0.09 14.184 30.101 3.207 # HA
+ 788 50 14 0.62 12.813 31.776 3.236 # CC
+ 789 50 21 -0.76 12.716 32.875 2.613 # OC
+ 790 50 21 -0.76 12.096 31.598 4.247 # OC
+ 791 50 6 0.51 14.824 29.667 0.941 # C
+ 792 50 20 -0.51 16.058 29.904 1.049 # O
+ 793 51 16 -0.47 14.305 28.478 0.644 # NH1
+ 794 51 1 0.31 13.321 28.322 0.585 # H
+ 795 51 8 0.07 15.128 27.301 0.379 # CT1
+ 796 51 5 0.09 15.783 27.179 1.234 # HB
+ 797 51 9 -0.1 14.238 26.045 0.259 # CT2
+ 798 51 3 0.09 13.759 25.884 1.251 # HA
+ 799 51 3 0.09 13.407 26.238 -0.455 # HA
+ 800 51 24 -0.08 15.047 24.53 -0.176 # SM
+ 801 51 6 0.51 16.006 27.523 -0.852 # C
+ 802 51 20 -0.51 17.248 27.267 -0.809 # O
+ 803 52 16 -0.47 15.384 28.062 -1.87 # NH1
+ 804 52 1 0.31 14.429 28.337 -1.962 # H
+ 805 52 8 0.07 16.192 28.302 -3.048 # CT1
+ 806 52 5 0.09 16.774 27.404 -3.216 # HB
+ 807 52 9 -0.18 15.267 28.571 -4.266 # CT2
+ 808 52 3 0.09 14.495 29.303 -3.931 # HA
+ 809 52 3 0.09 15.85 29.077 -5.068 # HA
+ 810 52 9 -0.14 14.634 27.261 -4.708 # CT2
+ 811 52 3 0.09 14.045 26.817 -3.878 # HA
+ 812 52 3 0.09 13.936 27.45 -5.552 # HA
+ 813 52 23 -0.09 15.759 25.962 -5.253 # S
+ 814 52 10 -0.22 16.307 26.625 -6.805 # CT3
+ 815 52 3 0.09 17.02 25.933 -7.302 # HA
+ 816 52 3 0.09 15.45 26.787 -7.494 # HA
+ 817 52 3 0.09 16.821 27.6 -6.664 # HA
+ 818 52 6 0.51 17.171 29.453 -2.841 # C
+ 819 52 20 -0.51 18.246 29.474 -3.49 # O
+ 820 53 16 -0.47 16.776 30.47 -2.099 # NH1
+ 821 53 1 0.31 15.877 30.5 -1.669 # H
+ 822 53 8 0.07 17.652 31.617 -1.869 # CT1
+ 823 53 5 0.09 17.981 32.02 -2.819 # HB
+ 824 53 9 -0.18 16.934 32.595 -0.93 # CT2
+ 825 53 3 0.09 16.01 32.924 -1.464 # HA
+ 826 53 3 0.09 16.587 32.053 -0.023 # HA
+ 827 53 9 -0.18 17.721 33.839 -0.54 # CT2
+ 828 53 3 0.09 18.362 33.592 0.335 # HA
+ 829 53 3 0.09 18.426 34.095 -1.364 # HA
+ 830 53 9 0.2 16.741 35.039 -0.291 # CT2
+ 831 53 3 0.09 17.25 35.81 0.332 # HA
+ 832 53 3 0.09 16.419 35.509 -1.249 # HA
+ 833 53 19 -0.7 15.472 34.668 0.404 # NC2
+ 834 53 2 0.44 15.624 34.222 1.293 # HC
+ 835 53 6 0.64 14.256 34.89 -0.074 # C
+ 836 53 19 -0.8 13.983 35.465 -1.233 # NC2
+ 837 53 2 0.46 13.045 35.619 -1.511 # HC
+ 838 53 2 0.46 14.762 35.849 -1.733 # HC
+ 839 53 19 -0.8 13.26 34.543 0.66 # NC2
+ 840 53 2 0.46 12.338 34.611 0.305 # HC
+ 841 53 2 0.46 13.466 34.023 1.479 # HC
+ 842 53 6 0.51 18.91 31.126 -1.141 # C
+ 843 53 20 -0.51 20.05 31.47 -1.556 # O
+ 844 54 16 -0.47 18.727 30.199 -0.237 # NH1
+ 845 54 1 0.31 17.86 29.777 0.026 # H
+ 846 54 8 0.07 19.89 29.693 0.496 # CT1
+ 847 54 5 0.09 20.559 30.536 0.601 # HB
+ 848 54 8 0.14 19.416 29.106 1.823 # CT1
+ 849 54 3 0.09 18.729 28.264 1.562 # HA
+ 850 54 22 -0.66 18.644 30.132 2.537 # OH1
+ 851 54 1 0.43 18.378 29.722 3.367 # H
+ 852 54 10 -0.27 20.616 28.506 2.662 # CT3
+ 853 54 3 0.09 20.243 27.984 3.568 # HA
+ 854 54 3 0.09 21.184 27.771 2.054 # HA
+ 855 54 3 0.09 21.317 29.305 2.986 # HA
+ 856 54 6 0.51 20.637 28.649 -0.297 # C
+ 857 54 20 -0.51 21.871 28.686 -0.287 # O
+ 858 55 16 -0.47 19.988 27.747 -0.961 # NH1
+ 859 55 1 0.31 19.012 27.789 -1.167 # H
+ 860 55 8 0.07 20.669 26.564 -1.471 # CT1
+ 861 55 5 0.09 21.675 26.615 -1.071 # HB
+ 862 55 9 -0.1 19.956 25.26 -1.056 # CT2
+ 863 55 3 0.09 18.877 25.382 -1.301 # HA
+ 864 55 3 0.09 20.319 24.416 -1.682 # HA
+ 865 55 24 -0.08 20.128 24.914 0.713 # SM
+ 866 55 6 0.51 20.773 26.534 -2.963 # C
+ 867 55 20 -0.51 21.341 25.553 -3.498 # O
+ 868 56 16 -0.47 20.132 27.442 -3.608 # NH1
+ 869 56 1 0.31 19.714 28.266 -3.227 # H
+ 870 56 9 -0.02 19.987 27.268 -5.071 # CT2
+ 871 56 5 0.09 19.223 27.965 -5.388 # HB
+ 872 56 5 0.09 19.737 26.229 -5.237 # HB
+ 873 56 6 0.51 21.257 27.575 -5.849 # C
+ 874 56 20 -0.51 21.386 27.129 -7.018 # O
+ 875 57 16 -0.47 22.225 28.05 -5.113 # NH1
+ 876 57 1 0.31 22.009 28.394 -4.2 # H
+ 877 57 9 -0.02 23.639 28.131 -5.505 # CT2
+ 878 57 5 0.09 23.862 27.28 -6.134 # HB
+ 879 57 5 0.09 24.238 28.189 -4.606 # HB
+ 880 57 6 0.51 23.887 29.393 -6.316 # C
+ 881 57 20 -0.51 22.949 30.065 -6.822 # O
+ 882 58 16 -0.47 25.146 29.681 -6.493 # NH1
+ 883 58 1 0.31 25.863 29.104 -6.103 # H
+ 884 58 8 0.07 25.617 30.84 -7.256 # CT1
+ 885 58 5 0.09 25.151 31.747 -6.888 # HB
+ 886 58 10 -0.27 27.16 30.98 -7.146 # CT3
+ 887 58 3 0.09 27.448 31.108 -6.081 # HA
+ 888 58 3 0.09 27.672 30.071 -7.531 # HA
+ 889 58 3 0.09 27.532 31.862 -7.71 # HA
+ 890 58 14 0.34 25.248 30.735 -8.729 # CC
+ 891 58 21 -0.67 24.75 29.881 -8.88 # OC
+ 892 58 21 -0.67 25.588 31.544 -9.208 # OC
+
+Bond Coeffs
+
+ 1 250 1.49 # C CP1
+ 2 250 1.49 # C CT1
+ 3 250 1.49 # C CT2
+ 4 260 1.3 # C N
+ 5 463 1.365 # C NC2
+ 6 370 1.345 # C NH1
+ 7 620 1.23 # C O
+ 8 305 1.375 # CA CA
+ 9 230 1.49 # CA CT2
+ 10 340 1.08 # CA HP
+ 11 334.3 1.411 # CA OH1
+ 12 200 1.522 # CC CT1
+ 13 200 1.522 # CC CT2
+ 14 430 1.36 # CC NH2
+ 15 650 1.23 # CC O
+ 16 525 1.26 # CC OC
+ 17 222.5 1.527 # CP1 CP2
+ 18 330 1.08 # CP1 HB
+ 19 320 1.434 # CP1 N
+ 20 222.5 1.537 # CP2 CP2
+ 21 222.5 1.537 # CP2 CP3
+ 22 309 1.111 # CP2 HA
+ 23 309 1.111 # CP3 HA
+ 24 320 1.455 # CP3 N
+ 25 222.5 1.5 # CT1 CT1
+ 26 222.5 1.538 # CT1 CT2
+ 27 222.5 1.538 # CT1 CT3
+ 28 309 1.111 # CT1 HA
+ 29 330 1.08 # CT1 HB
+ 30 320 1.43 # CT1 NH1
+ 31 200 1.48 # CT1 NH3
+ 32 428 1.42 # CT1 OH1
+ 33 222.5 1.53 # CT2 CT2
+ 34 222.5 1.528 # CT2 CT3
+ 35 309 1.111 # CT2 HA
+ 36 330 1.08 # CT2 HB
+ 37 261 1.49 # CT2 NC2
+ 38 320 1.43 # CT2 NH1
+ 39 200 1.48 # CT2 NH3
+ 40 428 1.42 # CT2 OH1
+ 41 198 1.818 # CT2 S
+ 42 214 1.816 # CT2 SM
+ 43 322 1.111 # CT3 HA
+ 44 240 1.816 # CT3 S
+ 45 440 0.997 # H NH1
+ 46 480 1 # H NH2
+ 47 545 0.96 # H OH1
+ 48 455 1 # HC NC2
+ 49 403 1.04 # HC NH3
+ 50 450 0.9572 # HT OT
+ 51 173 2.029 # SM SM
+
+Bonds
+
+ 1 31 1 5 # CT1 NH3
+ 2 49 2 1 # HC NH3
+ 3 49 3 1 # HC NH3
+ 4 49 4 1 # HC NH3
+ 5 29 5 6 # CT1 HB
+ 6 26 7 5 # CT1 CT2
+ 7 35 7 8 # CT2 HA
+ 8 35 7 9 # CT2 HA
+ 9 33 10 7 # CT2 CT2
+ 10 35 10 11 # CT2 HA
+ 11 35 10 12 # CT2 HA
+ 12 33 13 10 # CT2 CT2
+ 13 35 13 14 # CT2 HA
+ 14 35 13 15 # CT2 HA
+ 15 37 16 13 # CT2 NC2
+ 16 48 16 17 # HC NC2
+ 17 5 18 16 # C NC2
+ 18 5 18 19 # C NC2
+ 19 48 19 20 # HC NC2
+ 20 48 19 21 # HC NC2
+ 21 5 22 18 # C NC2
+ 22 48 22 23 # HC NC2
+ 23 48 22 24 # HC NC2
+ 24 2 25 5 # C CT1
+ 25 4 25 27 # C N
+ 26 7 26 25 # C O
+ 27 19 27 31 # CP1 N
+ 28 24 27 28 # CP3 N
+ 29 23 29 28 # CP3 HA
+ 30 23 30 28 # CP3 HA
+ 31 17 31 33 # CP1 CP2
+ 32 18 32 31 # CP1 HB
+ 33 20 33 36 # CP2 CP2
+ 34 22 34 33 # CP2 HA
+ 35 22 35 33 # CP2 HA
+ 36 21 36 28 # CP2 CP3
+ 37 22 37 36 # CP2 HA
+ 38 22 38 36 # CP2 HA
+ 39 1 39 31 # C CP1
+ 40 6 39 41 # C NH1
+ 41 7 40 39 # C O
+ 42 45 41 42 # H NH1
+ 43 30 41 43 # CT1 NH1
+ 44 29 43 44 # CT1 HB
+ 45 26 45 43 # CT1 CT2
+ 46 35 45 46 # CT2 HA
+ 47 35 45 47 # CT2 HA
+ 48 13 48 45 # CC CT2
+ 49 16 48 49 # CC OC
+ 50 16 50 48 # CC OC
+ 51 2 51 43 # C CT1
+ 52 6 51 53 # C NH1
+ 53 7 52 51 # C O
+ 54 45 53 54 # H NH1
+ 55 30 53 55 # CT1 NH1
+ 56 29 55 56 # CT1 HB
+ 57 26 57 55 # CT1 CT2
+ 58 35 57 58 # CT2 HA
+ 59 35 57 59 # CT2 HA
+ 60 9 60 57 # CA CT2
+ 61 10 61 62 # CA HP
+ 62 8 61 60 # CA CA
+ 63 8 63 61 # CA CA
+ 64 10 63 64 # CA HP
+ 65 8 65 69 # CA CA
+ 66 8 65 63 # CA CA
+ 67 10 65 66 # CA HP
+ 68 8 67 60 # CA CA
+ 69 10 67 68 # CA HP
+ 70 8 69 67 # CA CA
+ 71 10 69 70 # CA HP
+ 72 2 71 55 # C CT1
+ 73 6 71 73 # C NH1
+ 74 7 72 71 # C O
+ 75 45 73 74 # H NH1
+ 76 30 73 75 # CT1 NH1
+ 77 29 75 76 # CT1 HB
+ 78 26 77 75 # CT1 CT2
+ 79 35 77 78 # CT2 HA
+ 80 35 77 79 # CT2 HA
+ 81 51 80 865 # SM SM
+ 82 42 80 77 # CT2 SM
+ 83 2 81 75 # C CT1
+ 84 6 81 83 # C NH1
+ 85 7 82 81 # C O
+ 86 45 83 84 # H NH1
+ 87 30 83 85 # CT1 NH1
+ 88 29 85 86 # CT1 HB
+ 89 26 87 85 # CT1 CT2
+ 90 35 87 88 # CT2 HA
+ 91 35 87 89 # CT2 HA
+ 92 26 90 87 # CT1 CT2
+ 93 28 90 91 # CT1 HA
+ 94 27 92 90 # CT1 CT3
+ 95 43 92 93 # CT3 HA
+ 96 43 92 94 # CT3 HA
+ 97 43 92 95 # CT3 HA
+ 98 27 96 90 # CT1 CT3
+ 99 43 96 97 # CT3 HA
+ 100 43 96 98 # CT3 HA
+ 101 43 96 99 # CT3 HA
+ 102 2 100 85 # C CT1
+ 103 6 100 102 # C NH1
+ 104 7 101 100 # C O
+ 105 45 102 103 # H NH1
+ 106 30 102 104 # CT1 NH1
+ 107 29 104 105 # CT1 HB
+ 108 26 106 104 # CT1 CT2
+ 109 35 106 107 # CT2 HA
+ 110 35 106 108 # CT2 HA
+ 111 33 109 106 # CT2 CT2
+ 112 35 109 110 # CT2 HA
+ 113 35 109 111 # CT2 HA
+ 114 13 112 109 # CC CT2
+ 115 16 112 113 # CC OC
+ 116 16 114 112 # CC OC
+ 117 2 115 104 # C CT1
+ 118 4 115 117 # C N
+ 119 7 116 115 # C O
+ 120 19 117 121 # CP1 N
+ 121 24 117 118 # CP3 N
+ 122 23 119 118 # CP3 HA
+ 123 23 120 118 # CP3 HA
+ 124 17 121 123 # CP1 CP2
+ 125 18 122 121 # CP1 HB
+ 126 20 123 126 # CP2 CP2
+ 127 22 124 123 # CP2 HA
+ 128 22 125 123 # CP2 HA
+ 129 21 126 118 # CP2 CP3
+ 130 22 127 126 # CP2 HA
+ 131 22 128 126 # CP2 HA
+ 132 1 129 121 # C CP1
+ 133 4 129 131 # C N
+ 134 7 130 129 # C O
+ 135 19 131 135 # CP1 N
+ 136 24 131 132 # CP3 N
+ 137 23 133 132 # CP3 HA
+ 138 23 134 132 # CP3 HA
+ 139 17 135 137 # CP1 CP2
+ 140 18 136 135 # CP1 HB
+ 141 20 137 140 # CP2 CP2
+ 142 22 138 137 # CP2 HA
+ 143 22 139 137 # CP2 HA
+ 144 21 140 132 # CP2 CP3
+ 145 22 141 140 # CP2 HA
+ 146 22 142 140 # CP2 HA
+ 147 1 143 135 # C CP1
+ 148 6 143 145 # C NH1
+ 149 7 144 143 # C O
+ 150 45 145 146 # H NH1
+ 151 30 145 147 # CT1 NH1
+ 152 29 147 148 # CT1 HB
+ 153 26 149 147 # CT1 CT2
+ 154 35 149 150 # CT2 HA
+ 155 35 149 151 # CT2 HA
+ 156 9 152 149 # CA CT2
+ 157 10 153 154 # CA HP
+ 158 8 153 152 # CA CA
+ 159 8 155 153 # CA CA
+ 160 10 155 156 # CA HP
+ 161 8 155 157 # CA CA
+ 162 8 157 162 # CA CA
+ 163 11 158 157 # CA OH1
+ 164 47 158 159 # H OH1
+ 165 8 160 152 # CA CA
+ 166 10 160 161 # CA HP
+ 167 10 162 163 # CA HP
+ 168 8 162 160 # CA CA
+ 169 2 164 147 # C CT1
+ 170 6 164 166 # C NH1
+ 171 7 165 164 # C O
+ 172 45 166 167 # H NH1
+ 173 30 166 168 # CT1 NH1
+ 174 29 168 169 # CT1 HB
+ 175 25 170 168 # CT1 CT1
+ 176 28 170 171 # CT1 HA
+ 177 32 172 170 # CT1 OH1
+ 178 47 172 173 # H OH1
+ 179 27 174 170 # CT1 CT3
+ 180 43 174 175 # CT3 HA
+ 181 43 174 176 # CT3 HA
+ 182 43 174 177 # CT3 HA
+ 183 2 178 168 # C CT1
+ 184 6 178 180 # C NH1
+ 185 7 179 178 # C O
+ 186 45 180 181 # H NH1
+ 187 38 180 182 # CT2 NH1
+ 188 36 182 183 # CT2 HB
+ 189 36 182 184 # CT2 HB
+ 190 3 185 182 # C CT2
+ 191 4 185 187 # C N
+ 192 7 186 185 # C O
+ 193 19 187 191 # CP1 N
+ 194 24 187 188 # CP3 N
+ 195 23 189 188 # CP3 HA
+ 196 23 190 188 # CP3 HA
+ 197 17 191 193 # CP1 CP2
+ 198 18 192 191 # CP1 HB
+ 199 20 193 196 # CP2 CP2
+ 200 22 194 193 # CP2 HA
+ 201 22 195 193 # CP2 HA
+ 202 21 196 188 # CP2 CP3
+ 203 22 197 196 # CP2 HA
+ 204 22 198 196 # CP2 HA
+ 205 1 199 191 # C CP1
+ 206 6 199 201 # C NH1
+ 207 7 200 199 # C O
+ 208 45 201 202 # H NH1
+ 209 30 201 203 # CT1 NH1
+ 210 29 203 204 # CT1 HB
+ 211 26 205 203 # CT1 CT2
+ 212 35 205 206 # CT2 HA
+ 213 35 205 207 # CT2 HA
+ 214 51 208 592 # SM SM
+ 215 42 208 205 # CT2 SM
+ 216 2 209 203 # C CT1
+ 217 6 209 211 # C NH1
+ 218 7 210 209 # C O
+ 219 45 211 212 # H NH1
+ 220 30 211 213 # CT1 NH1
+ 221 29 213 214 # CT1 HB
+ 222 26 215 213 # CT1 CT2
+ 223 35 215 216 # CT2 HA
+ 224 35 215 217 # CT2 HA
+ 225 33 218 215 # CT2 CT2
+ 226 35 218 219 # CT2 HA
+ 227 35 218 220 # CT2 HA
+ 228 33 221 218 # CT2 CT2
+ 229 35 221 222 # CT2 HA
+ 230 35 221 223 # CT2 HA
+ 231 33 224 221 # CT2 CT2
+ 232 35 224 225 # CT2 HA
+ 233 35 224 226 # CT2 HA
+ 234 39 227 224 # CT2 NH3
+ 235 49 227 228 # HC NH3
+ 236 49 227 229 # HC NH3
+ 237 49 227 230 # HC NH3
+ 238 2 231 213 # C CT1
+ 239 6 231 233 # C NH1
+ 240 7 232 231 # C O
+ 241 45 233 234 # H NH1
+ 242 30 233 235 # CT1 NH1
+ 243 29 235 236 # CT1 HB
+ 244 27 237 235 # CT1 CT3
+ 245 43 237 238 # CT3 HA
+ 246 43 237 239 # CT3 HA
+ 247 43 237 240 # CT3 HA
+ 248 2 241 235 # C CT1
+ 249 6 241 243 # C NH1
+ 250 7 242 241 # C O
+ 251 45 243 244 # H NH1
+ 252 30 243 245 # CT1 NH1
+ 253 29 245 246 # CT1 HB
+ 254 26 247 245 # CT1 CT2
+ 255 35 247 248 # CT2 HA
+ 256 35 247 249 # CT2 HA
+ 257 33 250 247 # CT2 CT2
+ 258 35 250 251 # CT2 HA
+ 259 35 250 252 # CT2 HA
+ 260 33 253 250 # CT2 CT2
+ 261 35 253 254 # CT2 HA
+ 262 35 253 255 # CT2 HA
+ 263 37 256 253 # CT2 NC2
+ 264 48 256 257 # HC NC2
+ 265 5 258 256 # C NC2
+ 266 5 258 259 # C NC2
+ 267 48 259 260 # HC NC2
+ 268 48 259 261 # HC NC2
+ 269 5 262 258 # C NC2
+ 270 48 262 263 # HC NC2
+ 271 48 262 264 # HC NC2
+ 272 2 265 245 # C CT1
+ 273 6 265 267 # C NH1
+ 274 7 266 265 # C O
+ 275 45 267 268 # H NH1
+ 276 30 267 269 # CT1 NH1
+ 277 29 269 270 # CT1 HB
+ 278 25 271 269 # CT1 CT1
+ 279 28 271 272 # CT1 HA
+ 280 27 273 271 # CT1 CT3
+ 281 43 273 274 # CT3 HA
+ 282 43 273 275 # CT3 HA
+ 283 43 273 276 # CT3 HA
+ 284 26 277 271 # CT1 CT2
+ 285 35 277 278 # CT2 HA
+ 286 35 277 279 # CT2 HA
+ 287 34 280 277 # CT2 CT3
+ 288 43 280 281 # CT3 HA
+ 289 43 280 282 # CT3 HA
+ 290 43 280 283 # CT3 HA
+ 291 2 284 269 # C CT1
+ 292 6 284 286 # C NH1
+ 293 7 285 284 # C O
+ 294 45 286 287 # H NH1
+ 295 30 286 288 # CT1 NH1
+ 296 29 288 289 # CT1 HB
+ 297 25 290 288 # CT1 CT1
+ 298 28 290 291 # CT1 HA
+ 299 27 292 290 # CT1 CT3
+ 300 43 292 293 # CT3 HA
+ 301 43 292 294 # CT3 HA
+ 302 43 292 295 # CT3 HA
+ 303 26 296 290 # CT1 CT2
+ 304 35 296 297 # CT2 HA
+ 305 35 296 298 # CT2 HA
+ 306 34 299 296 # CT2 CT3
+ 307 43 299 300 # CT3 HA
+ 308 43 299 301 # CT3 HA
+ 309 43 299 302 # CT3 HA
+ 310 2 303 288 # C CT1
+ 311 6 303 305 # C NH1
+ 312 7 304 303 # C O
+ 313 45 305 306 # H NH1
+ 314 30 305 307 # CT1 NH1
+ 315 29 307 308 # CT1 HB
+ 316 26 309 307 # CT1 CT2
+ 317 35 309 310 # CT2 HA
+ 318 35 309 311 # CT2 HA
+ 319 33 312 309 # CT2 CT2
+ 320 35 312 313 # CT2 HA
+ 321 35 312 314 # CT2 HA
+ 322 33 315 312 # CT2 CT2
+ 323 35 315 316 # CT2 HA
+ 324 35 315 317 # CT2 HA
+ 325 37 318 315 # CT2 NC2
+ 326 48 318 319 # HC NC2
+ 327 5 320 318 # C NC2
+ 328 5 320 321 # C NC2
+ 329 48 321 322 # HC NC2
+ 330 48 321 323 # HC NC2
+ 331 5 324 320 # C NC2
+ 332 48 324 325 # HC NC2
+ 333 48 324 326 # HC NC2
+ 334 2 327 307 # C CT1
+ 335 6 327 329 # C NH1
+ 336 7 328 327 # C O
+ 337 45 329 330 # H NH1
+ 338 30 329 331 # CT1 NH1
+ 339 29 331 332 # CT1 HB
+ 340 26 333 331 # CT1 CT2
+ 341 35 333 334 # CT2 HA
+ 342 35 333 335 # CT2 HA
+ 343 9 336 333 # CA CT2
+ 344 10 337 338 # CA HP
+ 345 8 337 336 # CA CA
+ 346 8 339 337 # CA CA
+ 347 10 339 340 # CA HP
+ 348 8 339 341 # CA CA
+ 349 8 341 346 # CA CA
+ 350 11 342 341 # CA OH1
+ 351 47 342 343 # H OH1
+ 352 8 344 336 # CA CA
+ 353 10 344 345 # CA HP
+ 354 10 346 347 # CA HP
+ 355 8 346 344 # CA CA
+ 356 2 348 331 # C CT1
+ 357 6 348 350 # C NH1
+ 358 7 349 348 # C O
+ 359 45 350 351 # H NH1
+ 360 30 350 352 # CT1 NH1
+ 361 29 352 353 # CT1 HB
+ 362 26 354 352 # CT1 CT2
+ 363 35 354 355 # CT2 HA
+ 364 35 354 356 # CT2 HA
+ 365 9 357 354 # CA CT2
+ 366 10 358 359 # CA HP
+ 367 8 358 357 # CA CA
+ 368 8 360 358 # CA CA
+ 369 10 360 361 # CA HP
+ 370 8 362 366 # CA CA
+ 371 8 362 360 # CA CA
+ 372 10 362 363 # CA HP
+ 373 8 364 357 # CA CA
+ 374 10 364 365 # CA HP
+ 375 8 366 364 # CA CA
+ 376 10 366 367 # CA HP
+ 377 2 368 352 # C CT1
+ 378 6 368 370 # C NH1
+ 379 7 369 368 # C O
+ 380 45 370 371 # H NH1
+ 381 30 370 372 # CT1 NH1
+ 382 29 372 373 # CT1 HB
+ 383 26 374 372 # CT1 CT2
+ 384 35 374 375 # CT2 HA
+ 385 35 374 376 # CT2 HA
+ 386 9 377 374 # CA CT2
+ 387 10 378 379 # CA HP
+ 388 8 378 377 # CA CA
+ 389 8 380 378 # CA CA
+ 390 10 380 381 # CA HP
+ 391 8 380 382 # CA CA
+ 392 8 382 387 # CA CA
+ 393 11 383 382 # CA OH1
+ 394 47 383 384 # H OH1
+ 395 8 385 377 # CA CA
+ 396 10 385 386 # CA HP
+ 397 10 387 388 # CA HP
+ 398 8 387 385 # CA CA
+ 399 2 389 372 # C CT1
+ 400 6 389 391 # C NH1
+ 401 7 390 389 # C O
+ 402 45 391 392 # H NH1
+ 403 30 391 393 # CT1 NH1
+ 404 29 393 394 # CT1 HB
+ 405 26 395 393 # CT1 CT2
+ 406 35 395 396 # CT2 HA
+ 407 35 395 397 # CT2 HA
+ 408 13 398 395 # CC CT2
+ 409 15 398 399 # CC O
+ 410 14 400 398 # CC NH2
+ 411 46 400 401 # H NH2
+ 412 46 400 402 # H NH2
+ 413 2 403 393 # C CT1
+ 414 6 403 405 # C NH1
+ 415 7 403 404 # C O
+ 416 45 405 406 # H NH1
+ 417 30 405 407 # CT1 NH1
+ 418 29 407 408 # CT1 HB
+ 419 27 409 407 # CT1 CT3
+ 420 43 409 410 # CT3 HA
+ 421 43 409 411 # CT3 HA
+ 422 43 409 412 # CT3 HA
+ 423 2 413 407 # C CT1
+ 424 6 413 415 # C NH1
+ 425 7 414 413 # C O
+ 426 45 415 416 # H NH1
+ 427 30 415 417 # CT1 NH1
+ 428 29 417 418 # CT1 HB
+ 429 26 419 417 # CT1 CT2
+ 430 35 419 420 # CT2 HA
+ 431 35 419 421 # CT2 HA
+ 432 33 422 419 # CT2 CT2
+ 433 35 422 423 # CT2 HA
+ 434 35 422 424 # CT2 HA
+ 435 33 425 422 # CT2 CT2
+ 436 35 425 426 # CT2 HA
+ 437 35 425 427 # CT2 HA
+ 438 33 428 425 # CT2 CT2
+ 439 35 428 429 # CT2 HA
+ 440 35 428 430 # CT2 HA
+ 441 39 431 428 # CT2 NH3
+ 442 49 431 432 # HC NH3
+ 443 49 431 433 # HC NH3
+ 444 49 431 434 # HC NH3
+ 445 2 435 417 # C CT1
+ 446 6 435 437 # C NH1
+ 447 7 436 435 # C O
+ 448 45 437 438 # H NH1
+ 449 30 437 439 # CT1 NH1
+ 450 29 439 440 # CT1 HB
+ 451 27 441 439 # CT1 CT3
+ 452 43 441 442 # CT3 HA
+ 453 43 441 443 # CT3 HA
+ 454 43 441 444 # CT3 HA
+ 455 2 445 439 # C CT1
+ 456 6 445 447 # C NH1
+ 457 7 446 445 # C O
+ 458 45 447 448 # H NH1
+ 459 38 447 449 # CT2 NH1
+ 460 36 449 450 # CT2 HB
+ 461 36 449 451 # CT2 HB
+ 462 3 452 449 # C CT2
+ 463 6 452 454 # C NH1
+ 464 7 453 452 # C O
+ 465 45 454 455 # H NH1
+ 466 30 454 456 # CT1 NH1
+ 467 29 456 457 # CT1 HB
+ 468 26 458 456 # CT1 CT2
+ 469 35 458 459 # CT2 HA
+ 470 35 458 460 # CT2 HA
+ 471 26 461 458 # CT1 CT2
+ 472 28 461 462 # CT1 HA
+ 473 27 463 461 # CT1 CT3
+ 474 43 463 464 # CT3 HA
+ 475 43 463 465 # CT3 HA
+ 476 43 463 466 # CT3 HA
+ 477 27 467 461 # CT1 CT3
+ 478 43 467 468 # CT3 HA
+ 479 43 467 469 # CT3 HA
+ 480 43 467 470 # CT3 HA
+ 481 2 471 456 # C CT1
+ 482 6 471 473 # C NH1
+ 483 7 472 471 # C O
+ 484 45 473 474 # H NH1
+ 485 30 473 475 # CT1 NH1
+ 486 29 475 476 # CT1 HB
+ 487 26 477 475 # CT1 CT2
+ 488 35 477 478 # CT2 HA
+ 489 35 477 479 # CT2 HA
+ 490 51 480 800 # SM SM
+ 491 42 480 477 # CT2 SM
+ 492 2 481 475 # C CT1
+ 493 6 481 483 # C NH1
+ 494 7 482 481 # C O
+ 495 45 483 484 # H NH1
+ 496 30 483 485 # CT1 NH1
+ 497 29 485 486 # CT1 HB
+ 498 26 487 485 # CT1 CT2
+ 499 35 487 488 # CT2 HA
+ 500 35 487 489 # CT2 HA
+ 501 33 490 487 # CT2 CT2
+ 502 35 490 491 # CT2 HA
+ 503 35 490 492 # CT2 HA
+ 504 13 493 490 # CC CT2
+ 505 15 493 494 # CC O
+ 506 14 495 493 # CC NH2
+ 507 46 495 496 # H NH2
+ 508 46 495 497 # H NH2
+ 509 2 498 485 # C CT1
+ 510 6 498 500 # C NH1
+ 511 7 499 498 # C O
+ 512 45 500 501 # H NH1
+ 513 30 500 502 # CT1 NH1
+ 514 29 502 503 # CT1 HB
+ 515 25 504 502 # CT1 CT1
+ 516 28 504 505 # CT1 HA
+ 517 32 506 504 # CT1 OH1
+ 518 47 506 507 # H OH1
+ 519 27 508 504 # CT1 CT3
+ 520 43 508 509 # CT3 HA
+ 521 43 508 510 # CT3 HA
+ 522 43 508 511 # CT3 HA
+ 523 2 512 502 # C CT1
+ 524 6 512 514 # C NH1
+ 525 7 513 512 # C O
+ 526 45 514 515 # H NH1
+ 527 30 514 516 # CT1 NH1
+ 528 29 516 517 # CT1 HB
+ 529 26 518 516 # CT1 CT2
+ 530 35 518 519 # CT2 HA
+ 531 35 518 520 # CT2 HA
+ 532 9 521 518 # CA CT2
+ 533 10 522 523 # CA HP
+ 534 8 522 521 # CA CA
+ 535 8 524 522 # CA CA
+ 536 10 524 525 # CA HP
+ 537 8 526 530 # CA CA
+ 538 8 526 524 # CA CA
+ 539 10 526 527 # CA HP
+ 540 8 528 521 # CA CA
+ 541 10 528 529 # CA HP
+ 542 8 530 528 # CA CA
+ 543 10 530 531 # CA HP
+ 544 2 532 516 # C CT1
+ 545 6 532 534 # C NH1
+ 546 7 533 532 # C O
+ 547 45 534 535 # H NH1
+ 548 30 534 536 # CT1 NH1
+ 549 29 536 537 # CT1 HB
+ 550 25 538 536 # CT1 CT1
+ 551 28 538 539 # CT1 HA
+ 552 27 540 538 # CT1 CT3
+ 553 43 540 541 # CT3 HA
+ 554 43 540 542 # CT3 HA
+ 555 43 540 543 # CT3 HA
+ 556 27 544 538 # CT1 CT3
+ 557 43 544 545 # CT3 HA
+ 558 43 544 546 # CT3 HA
+ 559 43 544 547 # CT3 HA
+ 560 2 548 536 # C CT1
+ 561 6 548 550 # C NH1
+ 562 7 549 548 # C O
+ 563 45 550 551 # H NH1
+ 564 30 550 552 # CT1 NH1
+ 565 29 552 553 # CT1 HB
+ 566 26 554 552 # CT1 CT2
+ 567 35 554 555 # CT2 HA
+ 568 35 554 556 # CT2 HA
+ 569 9 557 554 # CA CT2
+ 570 10 558 559 # CA HP
+ 571 8 558 557 # CA CA
+ 572 8 560 558 # CA CA
+ 573 10 560 561 # CA HP
+ 574 8 560 562 # CA CA
+ 575 8 562 567 # CA CA
+ 576 11 563 562 # CA OH1
+ 577 47 563 564 # H OH1
+ 578 8 565 557 # CA CA
+ 579 10 565 566 # CA HP
+ 580 10 567 568 # CA HP
+ 581 8 567 565 # CA CA
+ 582 2 569 552 # C CT1
+ 583 6 569 571 # C NH1
+ 584 7 570 569 # C O
+ 585 45 571 572 # H NH1
+ 586 38 571 573 # CT2 NH1
+ 587 36 573 574 # CT2 HB
+ 588 36 573 575 # CT2 HB
+ 589 3 576 573 # C CT2
+ 590 6 576 578 # C NH1
+ 591 7 577 576 # C O
+ 592 45 578 579 # H NH1
+ 593 38 578 580 # CT2 NH1
+ 594 36 580 581 # CT2 HB
+ 595 36 580 582 # CT2 HB
+ 596 3 583 580 # C CT2
+ 597 6 583 585 # C NH1
+ 598 7 584 583 # C O
+ 599 45 585 586 # H NH1
+ 600 30 585 587 # CT1 NH1
+ 601 29 587 588 # CT1 HB
+ 602 26 589 587 # CT1 CT2
+ 603 35 589 590 # CT2 HA
+ 604 35 589 591 # CT2 HA
+ 605 42 592 589 # CT2 SM
+ 606 2 593 587 # C CT1
+ 607 6 593 595 # C NH1
+ 608 7 594 593 # C O
+ 609 45 595 596 # H NH1
+ 610 30 595 597 # CT1 NH1
+ 611 29 597 598 # CT1 HB
+ 612 26 599 597 # CT1 CT2
+ 613 35 599 600 # CT2 HA
+ 614 35 599 601 # CT2 HA
+ 615 33 602 599 # CT2 CT2
+ 616 35 602 603 # CT2 HA
+ 617 35 602 604 # CT2 HA
+ 618 33 605 602 # CT2 CT2
+ 619 35 605 606 # CT2 HA
+ 620 35 605 607 # CT2 HA
+ 621 37 608 605 # CT2 NC2
+ 622 48 608 609 # HC NC2
+ 623 5 610 608 # C NC2
+ 624 5 610 611 # C NC2
+ 625 48 611 612 # HC NC2
+ 626 48 611 613 # HC NC2
+ 627 5 614 610 # C NC2
+ 628 48 614 615 # HC NC2
+ 629 48 614 616 # HC NC2
+ 630 2 617 597 # C CT1
+ 631 6 617 619 # C NH1
+ 632 7 618 617 # C O
+ 633 45 619 620 # H NH1
+ 634 30 619 621 # CT1 NH1
+ 635 29 621 622 # CT1 HB
+ 636 27 623 621 # CT1 CT3
+ 637 43 623 624 # CT3 HA
+ 638 43 623 625 # CT3 HA
+ 639 43 623 626 # CT3 HA
+ 640 2 627 621 # C CT1
+ 641 6 627 629 # C NH1
+ 642 7 628 627 # C O
+ 643 45 629 630 # H NH1
+ 644 30 629 631 # CT1 NH1
+ 645 29 631 632 # CT1 HB
+ 646 26 633 631 # CT1 CT2
+ 647 35 633 634 # CT2 HA
+ 648 35 633 635 # CT2 HA
+ 649 33 636 633 # CT2 CT2
+ 650 35 636 637 # CT2 HA
+ 651 35 636 638 # CT2 HA
+ 652 33 639 636 # CT2 CT2
+ 653 35 639 640 # CT2 HA
+ 654 35 639 641 # CT2 HA
+ 655 33 642 639 # CT2 CT2
+ 656 35 642 643 # CT2 HA
+ 657 35 642 644 # CT2 HA
+ 658 39 645 642 # CT2 NH3
+ 659 49 645 646 # HC NH3
+ 660 49 645 647 # HC NH3
+ 661 49 645 648 # HC NH3
+ 662 2 649 631 # C CT1
+ 663 6 649 651 # C NH1
+ 664 7 650 649 # C O
+ 665 45 651 652 # H NH1
+ 666 30 651 653 # CT1 NH1
+ 667 29 653 654 # CT1 HB
+ 668 26 655 653 # CT1 CT2
+ 669 35 655 656 # CT2 HA
+ 670 35 655 657 # CT2 HA
+ 671 33 658 655 # CT2 CT2
+ 672 35 658 659 # CT2 HA
+ 673 35 658 660 # CT2 HA
+ 674 33 661 658 # CT2 CT2
+ 675 35 661 662 # CT2 HA
+ 676 35 661 663 # CT2 HA
+ 677 37 664 661 # CT2 NC2
+ 678 48 664 665 # HC NC2
+ 679 5 666 664 # C NC2
+ 680 5 666 667 # C NC2
+ 681 48 667 668 # HC NC2
+ 682 48 667 669 # HC NC2
+ 683 5 670 666 # C NC2
+ 684 48 670 671 # HC NC2
+ 685 48 670 672 # HC NC2
+ 686 2 673 653 # C CT1
+ 687 6 673 675 # C NH1
+ 688 7 674 673 # C O
+ 689 45 675 676 # H NH1
+ 690 30 675 677 # CT1 NH1
+ 691 29 677 678 # CT1 HB
+ 692 26 679 677 # CT1 CT2
+ 693 35 679 680 # CT2 HA
+ 694 35 679 681 # CT2 HA
+ 695 13 682 679 # CC CT2
+ 696 15 682 683 # CC O
+ 697 14 684 682 # CC NH2
+ 698 46 684 685 # H NH2
+ 699 46 684 686 # H NH2
+ 700 2 687 677 # C CT1
+ 701 6 687 689 # C NH1
+ 702 7 687 688 # C O
+ 703 45 689 690 # H NH1
+ 704 30 689 691 # CT1 NH1
+ 705 29 691 692 # CT1 HB
+ 706 26 693 691 # CT1 CT2
+ 707 35 693 694 # CT2 HA
+ 708 35 693 695 # CT2 HA
+ 709 13 696 693 # CC CT2
+ 710 15 696 697 # CC O
+ 711 14 698 696 # CC NH2
+ 712 46 698 699 # H NH2
+ 713 46 698 700 # H NH2
+ 714 2 701 691 # C CT1
+ 715 6 701 703 # C NH1
+ 716 7 701 702 # C O
+ 717 45 703 704 # H NH1
+ 718 30 703 705 # CT1 NH1
+ 719 29 705 706 # CT1 HB
+ 720 26 707 705 # CT1 CT2
+ 721 35 707 708 # CT2 HA
+ 722 35 707 709 # CT2 HA
+ 723 9 710 707 # CA CT2
+ 724 10 711 712 # CA HP
+ 725 8 711 710 # CA CA
+ 726 8 713 711 # CA CA
+ 727 10 713 714 # CA HP
+ 728 8 715 719 # CA CA
+ 729 8 715 713 # CA CA
+ 730 10 715 716 # CA HP
+ 731 8 717 710 # CA CA
+ 732 10 717 718 # CA HP
+ 733 8 719 717 # CA CA
+ 734 10 719 720 # CA HP
+ 735 2 721 705 # C CT1
+ 736 6 721 723 # C NH1
+ 737 7 722 721 # C O
+ 738 45 723 724 # H NH1
+ 739 30 723 725 # CT1 NH1
+ 740 29 725 726 # CT1 HB
+ 741 26 727 725 # CT1 CT2
+ 742 35 727 728 # CT2 HA
+ 743 35 727 729 # CT2 HA
+ 744 33 730 727 # CT2 CT2
+ 745 35 730 731 # CT2 HA
+ 746 35 730 732 # CT2 HA
+ 747 33 733 730 # CT2 CT2
+ 748 35 733 734 # CT2 HA
+ 749 35 733 735 # CT2 HA
+ 750 33 736 733 # CT2 CT2
+ 751 35 736 737 # CT2 HA
+ 752 35 736 738 # CT2 HA
+ 753 39 739 736 # CT2 NH3
+ 754 49 739 740 # HC NH3
+ 755 49 739 741 # HC NH3
+ 756 49 739 742 # HC NH3
+ 757 2 743 725 # C CT1
+ 758 6 743 745 # C NH1
+ 759 7 744 743 # C O
+ 760 45 745 746 # H NH1
+ 761 30 745 747 # CT1 NH1
+ 762 29 747 748 # CT1 HB
+ 763 26 749 747 # CT1 CT2
+ 764 35 749 750 # CT2 HA
+ 765 35 749 751 # CT2 HA
+ 766 40 752 749 # CT2 OH1
+ 767 47 752 753 # H OH1
+ 768 2 754 747 # C CT1
+ 769 6 754 756 # C NH1
+ 770 7 755 754 # C O
+ 771 45 756 757 # H NH1
+ 772 30 756 758 # CT1 NH1
+ 773 29 758 759 # CT1 HB
+ 774 27 760 758 # CT1 CT3
+ 775 43 760 761 # CT3 HA
+ 776 43 760 762 # CT3 HA
+ 777 43 760 763 # CT3 HA
+ 778 2 764 758 # C CT1
+ 779 6 764 766 # C NH1
+ 780 7 765 764 # C O
+ 781 45 766 767 # H NH1
+ 782 30 766 768 # CT1 NH1
+ 783 29 768 769 # CT1 HB
+ 784 26 770 768 # CT1 CT2
+ 785 35 770 771 # CT2 HA
+ 786 35 770 772 # CT2 HA
+ 787 33 773 770 # CT2 CT2
+ 788 35 773 774 # CT2 HA
+ 789 35 773 775 # CT2 HA
+ 790 13 776 773 # CC CT2
+ 791 16 776 777 # CC OC
+ 792 16 778 776 # CC OC
+ 793 2 779 768 # C CT1
+ 794 6 779 781 # C NH1
+ 795 7 780 779 # C O
+ 796 45 781 782 # H NH1
+ 797 30 781 783 # CT1 NH1
+ 798 29 783 784 # CT1 HB
+ 799 26 785 783 # CT1 CT2
+ 800 35 785 786 # CT2 HA
+ 801 35 785 787 # CT2 HA
+ 802 13 788 785 # CC CT2
+ 803 16 788 789 # CC OC
+ 804 16 790 788 # CC OC
+ 805 2 791 783 # C CT1
+ 806 6 791 793 # C NH1
+ 807 7 792 791 # C O
+ 808 45 793 794 # H NH1
+ 809 30 793 795 # CT1 NH1
+ 810 29 795 796 # CT1 HB
+ 811 26 797 795 # CT1 CT2
+ 812 35 797 798 # CT2 HA
+ 813 35 797 799 # CT2 HA
+ 814 42 800 797 # CT2 SM
+ 815 2 801 795 # C CT1
+ 816 6 801 803 # C NH1
+ 817 7 802 801 # C O
+ 818 45 803 804 # H NH1
+ 819 30 803 805 # CT1 NH1
+ 820 29 805 806 # CT1 HB
+ 821 26 807 805 # CT1 CT2
+ 822 35 807 808 # CT2 HA
+ 823 35 807 809 # CT2 HA
+ 824 33 810 807 # CT2 CT2
+ 825 35 810 811 # CT2 HA
+ 826 35 810 812 # CT2 HA
+ 827 41 813 810 # CT2 S
+ 828 44 814 813 # CT3 S
+ 829 43 814 815 # CT3 HA
+ 830 43 814 816 # CT3 HA
+ 831 43 814 817 # CT3 HA
+ 832 2 818 805 # C CT1
+ 833 6 818 820 # C NH1
+ 834 7 819 818 # C O
+ 835 45 820 821 # H NH1
+ 836 30 820 822 # CT1 NH1
+ 837 29 822 823 # CT1 HB
+ 838 26 824 822 # CT1 CT2
+ 839 35 824 825 # CT2 HA
+ 840 35 824 826 # CT2 HA
+ 841 33 827 824 # CT2 CT2
+ 842 35 827 828 # CT2 HA
+ 843 35 827 829 # CT2 HA
+ 844 33 830 827 # CT2 CT2
+ 845 35 830 831 # CT2 HA
+ 846 35 830 832 # CT2 HA
+ 847 37 833 830 # CT2 NC2
+ 848 48 833 834 # HC NC2
+ 849 5 835 833 # C NC2
+ 850 5 835 836 # C NC2
+ 851 48 836 837 # HC NC2
+ 852 48 836 838 # HC NC2
+ 853 5 839 835 # C NC2
+ 854 48 839 840 # HC NC2
+ 855 48 839 841 # HC NC2
+ 856 2 842 822 # C CT1
+ 857 6 842 844 # C NH1
+ 858 7 843 842 # C O
+ 859 45 844 845 # H NH1
+ 860 30 844 846 # CT1 NH1
+ 861 29 846 847 # CT1 HB
+ 862 25 848 846 # CT1 CT1
+ 863 28 848 849 # CT1 HA
+ 864 32 850 848 # CT1 OH1
+ 865 47 850 851 # H OH1
+ 866 27 852 848 # CT1 CT3
+ 867 43 852 853 # CT3 HA
+ 868 43 852 854 # CT3 HA
+ 869 43 852 855 # CT3 HA
+ 870 2 856 846 # C CT1
+ 871 6 856 858 # C NH1
+ 872 7 857 856 # C O
+ 873 45 858 859 # H NH1
+ 874 30 858 860 # CT1 NH1
+ 875 29 860 861 # CT1 HB
+ 876 26 862 860 # CT1 CT2
+ 877 35 862 863 # CT2 HA
+ 878 35 862 864 # CT2 HA
+ 879 42 865 862 # CT2 SM
+ 880 2 866 860 # C CT1
+ 881 6 866 868 # C NH1
+ 882 7 867 866 # C O
+ 883 45 868 869 # H NH1
+ 884 38 868 870 # CT2 NH1
+ 885 36 870 871 # CT2 HB
+ 886 36 870 872 # CT2 HB
+ 887 3 873 870 # C CT2
+ 888 6 873 875 # C NH1
+ 889 7 874 873 # C O
+ 890 45 875 876 # H NH1
+ 891 38 875 877 # CT2 NH1
+ 892 36 877 878 # CT2 HB
+ 893 36 877 879 # CT2 HB
+ 894 3 880 877 # C CT2
+ 895 6 880 882 # C NH1
+ 896 7 881 880 # C O
+ 897 45 882 883 # H NH1
+ 898 30 882 884 # CT1 NH1
+ 899 29 884 885 # CT1 HB
+ 900 27 886 884 # CT1 CT3
+ 901 43 886 887 # CT3 HA
+ 902 43 886 888 # CT3 HA
+ 903 43 886 889 # CT3 HA
+ 904 16 890 892 # CC OC
+ 905 16 890 891 # CC OC
+ 906 12 890 884 # CC CT1
+
+Angle Coeffs
+
+ 1 52 112.3 0 0 # C CP1 CP2
+ 2 50 112 0 0 # C CP1 HB
+ 3 50 108.2 0 0 # C CP1 N
+ 4 52 108 0 0 # C CT1 CT1
+ 5 52 108 0 0 # C CT1 CT2
+ 6 52 108 0 0 # C CT1 CT3
+ 7 50 109.5 0 0 # C CT1 HB
+ 8 50 107 0 0 # C CT1 NH1
+ 9 43.7 110 0 0 # C CT1 NH3
+ 10 50 109.5 0 0 # C CT2 HB
+ 11 50 107 0 0 # C CT2 NH1
+ 12 60 117 0 0 # C N CP1
+ 13 60 117 0 0 # C N CP3
+ 14 62.3 120 0 0 # C NC2 CT2
+ 15 49 120 0 0 # C NC2 HC
+ 16 50 120 0 0 # C NH1 CT1
+ 17 50 120 0 0 # C NH1 CT2
+ 18 34 123 0 0 # C NH1 H
+ 19 40 120 35 2.4162 # CA CA CA
+ 20 45.8 122.3 0 0 # CA CA CT2
+ 21 30 120 22 2.1525 # CA CA HP
+ 22 45.2 120 0 0 # CA CA OH1
+ 23 51.8 107.5 0 0 # CA CT2 CT1
+ 24 49.3 107.5 0 0 # CA CT2 HA
+ 25 65 108 0 0 # CA OH1 H
+ 26 52 108 0 0 # CC CT1 CT3
+ 27 50 109.5 0 0 # CC CT1 HB
+ 28 50 107 0 0 # CC CT1 NH1
+ 29 52 108 0 0 # CC CT2 CT1
+ 30 52 108 0 0 # CC CT2 CT2
+ 31 33 109.5 30 2.163 # CC CT2 HA
+ 32 50 120 0 0 # CC NH2 H
+ 33 20 112.5 0 0 # CP1 C N
+ 34 80 116.5 0 0 # CP1 C NH1
+ 35 80 118 0 0 # CP1 C O
+ 36 70 108.5 0 0 # CP1 CP2 CP2
+ 37 33.43 110.1 22.53 2.179 # CP1 CP2 HA
+ 38 100 114.2 0 0 # CP1 N CP3
+ 39 35 118 0 0 # CP2 CP1 HB
+ 40 70 110.8 0 0 # CP2 CP1 N
+ 41 70 108.5 0 0 # CP2 CP2 CP3
+ 42 26.5 110.1 22.53 2.179 # CP2 CP2 HA
+ 43 26.5 110.1 22.53 2.179 # CP2 CP3 HA
+ 44 70 110.5 0 0 # CP2 CP3 N
+ 45 26.5 110.1 22.53 2.179 # CP3 CP2 HA
+ 46 20 112.5 0 0 # CT1 C N
+ 47 80 116.5 0 0 # CT1 C NH1
+ 48 80 121 0 0 # CT1 C O
+ 49 40 118 50 2.388 # CT1 CC OC
+ 50 53.35 111 8 2.561 # CT1 CT1 CT2
+ 51 53.35 108.5 8 2.561 # CT1 CT1 CT3
+ 52 34.5 110.1 22.53 2.179 # CT1 CT1 HA
+ 53 35 111 0 0 # CT1 CT1 HB
+ 54 70 113.5 0 0 # CT1 CT1 NH1
+ 55 75.7 110.1 0 0 # CT1 CT1 OH1
+ 56 58.35 113.5 11.16 2.561 # CT1 CT2 CT1
+ 57 58.35 113.5 11.16 2.561 # CT1 CT2 CT2
+ 58 58.35 113.5 11.16 2.561 # CT1 CT2 CT3
+ 59 33.43 110.1 22.53 2.179 # CT1 CT2 HA
+ 60 75.7 110.1 0 0 # CT1 CT2 OH1
+ 61 58 112.5 0 0 # CT1 CT2 SM
+ 62 33.43 110.1 22.53 2.179 # CT1 CT3 HA
+ 63 35 117 0 0 # CT1 NH1 H
+ 64 30 109.5 20 2.074 # CT1 NH3 HC
+ 65 57.5 106 0 0 # CT1 OH1 H
+ 66 20 112.5 0 0 # CT2 C N
+ 67 80 116.5 0 0 # CT2 C NH1
+ 68 80 121 0 0 # CT2 C O
+ 69 50 116.5 50 2.45 # CT2 CC NH2
+ 70 15 121 50 2.44 # CT2 CC O
+ 71 40 118 50 2.388 # CT2 CC OC
+ 72 53.35 114 8 2.561 # CT2 CT1 CT3
+ 73 34.5 110.1 22.53 2.179 # CT2 CT1 HA
+ 74 35 111 0 0 # CT2 CT1 HB
+ 75 70 113.5 0 0 # CT2 CT1 NH1
+ 76 67.7 110 0 0 # CT2 CT1 NH3
+ 77 58.35 113.6 11.16 2.561 # CT2 CT2 CT2
+ 78 26.5 110.1 22.53 2.179 # CT2 CT2 HA
+ 79 67.7 107.5 0 0 # CT2 CT2 NC2
+ 80 67.7 110 0 0 # CT2 CT2 NH3
+ 81 58 114.5 0 0 # CT2 CT2 S
+ 82 34.6 110.1 22.53 2.179 # CT2 CT3 HA
+ 83 40.4 120 0 0 # CT2 NC2 HC
+ 84 35 117 0 0 # CT2 NH1 H
+ 85 30 109.5 20 2.074 # CT2 NH3 HC
+ 86 57.5 106 0 0 # CT2 OH1 H
+ 87 34 95 0 0 # CT2 S CT3
+ 88 72.5 103.3 0 0 # CT2 SM SM
+ 89 53.35 114 8 2.561 # CT3 CT1 CT3
+ 90 34.5 110.1 22.53 2.179 # CT3 CT1 HA
+ 91 35 111 0 0 # CT3 CT1 HB
+ 92 70 113.5 0 0 # CT3 CT1 NH1
+ 93 75.7 110.1 0 0 # CT3 CT1 OH1
+ 94 34.6 110.1 22.53 2.179 # CT3 CT2 HA
+ 95 23 120 0 0 # H NH2 H
+ 96 35.5 109 5.4 1.802 # HA CP2 HA
+ 97 35.5 109 5.4 1.802 # HA CP3 HA
+ 98 48 108 0 0 # HA CP3 N
+ 99 45.9 108.89 0 0 # HA CT1 OH1
+ 100 35.5 109 5.4 1.802 # HA CT2 HA
+ 101 51.5 107.5 0 0 # HA CT2 NC2
+ 102 45 107.5 35 2.101 # HA CT2 NH3
+ 103 45.9 108.89 0 0 # HA CT2 OH1
+ 104 46.1 111.3 0 0 # HA CT2 S
+ 105 38 111 0 0 # HA CT2 SM
+ 106 35.5 108.4 5.4 1.802 # HA CT3 HA
+ 107 46.1 111.3 0 0 # HA CT3 S
+ 108 48 112 0 0 # HB CP1 N
+ 109 48 108 0 0 # HB CT1 NH1
+ 110 51.5 107.5 0 0 # HB CT1 NH3
+ 111 36 115 0 0 # HB CT2 HB
+ 112 48 108 0 0 # HB CT2 NH1
+ 113 25 120 0 0 # HC NC2 HC
+ 114 44 109.5 0 0 # HC NH3 HC
+ 115 55 104.52 0 0 # HT OT HT
+ 116 80 122.5 0 0 # N C O
+ 117 52 120 90 2.3642 # NC2 C NC2
+ 118 80 122.5 0 0 # NH1 C O
+ 119 75 122.5 50 2.37 # NH2 CC O
+ 120 100 124 70 2.225 # OC CC OC
+
+Angles
+
+ 1 110 1 5 6 # HB CT1 NH3
+ 2 9 1 5 25 # C CT1 NH3
+ 3 64 2 1 5 # CT1 NH3 HC
+ 4 114 2 1 4 # HC NH3 HC
+ 5 114 2 1 3 # HC NH3 HC
+ 6 64 3 1 5 # CT1 NH3 HC
+ 7 114 3 1 4 # HC NH3 HC
+ 8 64 4 1 5 # CT1 NH3 HC
+ 9 48 5 25 26 # CT1 C O
+ 10 46 5 25 27 # CT1 C N
+ 11 59 5 7 9 # CT1 CT2 HA
+ 12 59 5 7 8 # CT1 CT2 HA
+ 13 57 5 7 10 # CT1 CT2 CT2
+ 14 78 7 10 12 # CT2 CT2 HA
+ 15 78 7 10 11 # CT2 CT2 HA
+ 16 77 7 10 13 # CT2 CT2 CT2
+ 17 74 7 5 6 # CT2 CT1 HB
+ 18 5 7 5 25 # C CT1 CT2
+ 19 76 7 5 1 # CT2 CT1 NH3
+ 20 100 8 7 9 # HA CT2 HA
+ 21 78 10 13 15 # CT2 CT2 HA
+ 22 78 10 13 14 # CT2 CT2 HA
+ 23 79 10 13 16 # CT2 CT2 NC2
+ 24 78 10 7 9 # CT2 CT2 HA
+ 25 78 10 7 8 # CT2 CT2 HA
+ 26 100 11 10 12 # HA CT2 HA
+ 27 83 13 16 17 # CT2 NC2 HC
+ 28 14 13 16 18 # C NC2 CT2
+ 29 78 13 10 12 # CT2 CT2 HA
+ 30 78 13 10 11 # CT2 CT2 HA
+ 31 100 14 13 15 # HA CT2 HA
+ 32 117 16 18 19 # NC2 C NC2
+ 33 117 16 18 22 # NC2 C NC2
+ 34 101 16 13 15 # HA CT2 NC2
+ 35 101 16 13 14 # HA CT2 NC2
+ 36 15 18 22 24 # C NC2 HC
+ 37 15 18 22 23 # C NC2 HC
+ 38 15 18 16 17 # C NC2 HC
+ 39 15 20 19 18 # C NC2 HC
+ 40 113 20 19 21 # HC NC2 HC
+ 41 15 21 19 18 # C NC2 HC
+ 42 117 22 18 19 # NC2 C NC2
+ 43 113 23 22 24 # HC NC2 HC
+ 44 7 25 5 6 # C CT1 HB
+ 45 108 27 31 32 # HB CP1 N
+ 46 40 27 31 33 # CP2 CP1 N
+ 47 98 27 28 30 # HA CP3 N
+ 48 98 27 28 29 # HA CP3 N
+ 49 116 27 25 26 # N C O
+ 50 45 28 36 38 # CP3 CP2 HA
+ 51 45 28 36 37 # CP3 CP2 HA
+ 52 13 28 27 25 # C N CP3
+ 53 97 29 28 30 # HA CP3 HA
+ 54 35 31 39 40 # CP1 C O
+ 55 34 31 39 41 # CP1 C NH1
+ 56 37 31 33 35 # CP1 CP2 HA
+ 57 37 31 33 34 # CP1 CP2 HA
+ 58 36 31 33 36 # CP1 CP2 CP2
+ 59 12 31 27 25 # C N CP1
+ 60 38 31 27 28 # CP1 N CP3
+ 61 42 33 36 38 # CP2 CP2 HA
+ 62 42 33 36 37 # CP2 CP2 HA
+ 63 41 33 36 28 # CP2 CP2 CP3
+ 64 39 33 31 32 # CP2 CP1 HB
+ 65 96 34 33 35 # HA CP2 HA
+ 66 42 36 33 35 # CP2 CP2 HA
+ 67 42 36 33 34 # CP2 CP2 HA
+ 68 43 36 28 30 # CP2 CP3 HA
+ 69 43 36 28 29 # CP2 CP3 HA
+ 70 44 36 28 27 # CP2 CP3 N
+ 71 96 37 36 38 # HA CP2 HA
+ 72 2 39 31 32 # C CP1 HB
+ 73 1 39 31 33 # C CP1 CP2
+ 74 3 39 31 27 # C CP1 N
+ 75 109 41 43 44 # HB CT1 NH1
+ 76 8 41 43 51 # C CT1 NH1
+ 77 118 41 39 40 # NH1 C O
+ 78 18 42 41 39 # C NH1 H
+ 79 63 42 41 43 # CT1 NH1 H
+ 80 48 43 51 52 # CT1 C O
+ 81 47 43 51 53 # CT1 C NH1
+ 82 59 43 45 47 # CT1 CT2 HA
+ 83 59 43 45 46 # CT1 CT2 HA
+ 84 29 43 45 48 # CC CT2 CT1
+ 85 16 43 41 39 # C NH1 CT1
+ 86 71 45 48 49 # CT2 CC OC
+ 87 71 45 48 50 # CT2 CC OC
+ 88 74 45 43 44 # CT2 CT1 HB
+ 89 5 45 43 51 # C CT1 CT2
+ 90 75 45 43 41 # CT2 CT1 NH1
+ 91 100 46 45 47 # HA CT2 HA
+ 92 31 48 45 47 # CC CT2 HA
+ 93 31 48 45 46 # CC CT2 HA
+ 94 120 50 48 49 # OC CC OC
+ 95 7 51 43 44 # C CT1 HB
+ 96 109 53 55 56 # HB CT1 NH1
+ 97 8 53 55 71 # C CT1 NH1
+ 98 118 53 51 52 # NH1 C O
+ 99 18 54 53 51 # C NH1 H
+ 100 63 54 53 55 # CT1 NH1 H
+ 101 48 55 71 72 # CT1 C O
+ 102 47 55 71 73 # CT1 C NH1
+ 103 59 55 57 59 # CT1 CT2 HA
+ 104 59 55 57 58 # CT1 CT2 HA
+ 105 23 55 57 60 # CA CT2 CT1
+ 106 16 55 53 51 # C NH1 CT1
+ 107 20 57 60 61 # CA CA CT2
+ 108 20 57 60 67 # CA CA CT2
+ 109 74 57 55 56 # CT2 CT1 HB
+ 110 5 57 55 71 # C CT1 CT2
+ 111 75 57 55 53 # CT2 CT1 NH1
+ 112 100 58 57 59 # HA CT2 HA
+ 113 19 60 67 69 # CA CA CA
+ 114 21 60 67 68 # CA CA HP
+ 115 24 60 57 59 # CA CT2 HA
+ 116 24 60 57 58 # CA CT2 HA
+ 117 19 61 63 65 # CA CA CA
+ 118 21 61 63 64 # CA CA HP
+ 119 21 62 61 60 # CA CA HP
+ 120 21 63 65 66 # CA CA HP
+ 121 19 63 61 60 # CA CA CA
+ 122 21 63 61 62 # CA CA HP
+ 123 21 64 63 65 # CA CA HP
+ 124 21 65 69 70 # CA CA HP
+ 125 19 65 69 67 # CA CA CA
+ 126 21 67 69 70 # CA CA HP
+ 127 19 67 60 61 # CA CA CA
+ 128 21 68 67 69 # CA CA HP
+ 129 21 69 65 66 # CA CA HP
+ 130 19 69 65 63 # CA CA CA
+ 131 7 71 55 56 # C CT1 HB
+ 132 109 73 75 76 # HB CT1 NH1
+ 133 8 73 75 81 # C CT1 NH1
+ 134 118 73 71 72 # NH1 C O
+ 135 18 74 73 71 # C NH1 H
+ 136 63 74 73 75 # CT1 NH1 H
+ 137 48 75 81 82 # CT1 C O
+ 138 47 75 81 83 # CT1 C NH1
+ 139 59 75 77 79 # CT1 CT2 HA
+ 140 59 75 77 78 # CT1 CT2 HA
+ 141 61 75 77 80 # CT1 CT2 SM
+ 142 16 75 73 71 # C NH1 CT1
+ 143 88 77 80 865 # CT2 SM SM
+ 144 74 77 75 76 # CT2 CT1 HB
+ 145 5 77 75 81 # C CT1 CT2
+ 146 75 77 75 73 # CT2 CT1 NH1
+ 147 100 78 77 79 # HA CT2 HA
+ 148 88 80 865 862 # CT2 SM SM
+ 149 105 80 77 79 # HA CT2 SM
+ 150 105 80 77 78 # HA CT2 SM
+ 151 7 81 75 76 # C CT1 HB
+ 152 109 83 85 86 # HB CT1 NH1
+ 153 8 83 85 100 # C CT1 NH1
+ 154 118 83 81 82 # NH1 C O
+ 155 18 84 83 81 # C NH1 H
+ 156 63 84 83 85 # CT1 NH1 H
+ 157 48 85 100 101 # CT1 C O
+ 158 47 85 100 102 # CT1 C NH1
+ 159 59 85 87 89 # CT1 CT2 HA
+ 160 59 85 87 88 # CT1 CT2 HA
+ 161 56 85 87 90 # CT1 CT2 CT1
+ 162 16 85 83 81 # C NH1 CT1
+ 163 73 87 90 91 # CT2 CT1 HA
+ 164 72 87 90 96 # CT2 CT1 CT3
+ 165 72 87 90 92 # CT2 CT1 CT3
+ 166 74 87 85 86 # CT2 CT1 HB
+ 167 5 87 85 100 # C CT1 CT2
+ 168 75 87 85 83 # CT2 CT1 NH1
+ 169 100 88 87 89 # HA CT2 HA
+ 170 62 90 96 99 # CT1 CT3 HA
+ 171 62 90 96 98 # CT1 CT3 HA
+ 172 62 90 96 97 # CT1 CT3 HA
+ 173 62 90 92 95 # CT1 CT3 HA
+ 174 62 90 92 94 # CT1 CT3 HA
+ 175 62 90 92 93 # CT1 CT3 HA
+ 176 59 90 87 89 # CT1 CT2 HA
+ 177 59 90 87 88 # CT1 CT2 HA
+ 178 90 92 90 91 # CT3 CT1 HA
+ 179 89 92 90 96 # CT3 CT1 CT3
+ 180 106 93 92 95 # HA CT3 HA
+ 181 106 93 92 94 # HA CT3 HA
+ 182 106 94 92 95 # HA CT3 HA
+ 183 90 96 90 91 # CT3 CT1 HA
+ 184 106 97 96 99 # HA CT3 HA
+ 185 106 97 96 98 # HA CT3 HA
+ 186 106 98 96 99 # HA CT3 HA
+ 187 7 100 85 86 # C CT1 HB
+ 188 109 102 104 105 # HB CT1 NH1
+ 189 8 102 104 115 # C CT1 NH1
+ 190 118 102 100 101 # NH1 C O
+ 191 18 103 102 100 # C NH1 H
+ 192 63 103 102 104 # CT1 NH1 H
+ 193 48 104 115 116 # CT1 C O
+ 194 46 104 115 117 # CT1 C N
+ 195 59 104 106 108 # CT1 CT2 HA
+ 196 59 104 106 107 # CT1 CT2 HA
+ 197 57 104 106 109 # CT1 CT2 CT2
+ 198 16 104 102 100 # C NH1 CT1
+ 199 78 106 109 111 # CT2 CT2 HA
+ 200 78 106 109 110 # CT2 CT2 HA
+ 201 30 106 109 112 # CC CT2 CT2
+ 202 74 106 104 105 # CT2 CT1 HB
+ 203 5 106 104 115 # C CT1 CT2
+ 204 75 106 104 102 # CT2 CT1 NH1
+ 205 100 107 106 108 # HA CT2 HA
+ 206 71 109 112 113 # CT2 CC OC
+ 207 71 109 112 114 # CT2 CC OC
+ 208 78 109 106 108 # CT2 CT2 HA
+ 209 78 109 106 107 # CT2 CT2 HA
+ 210 100 110 109 111 # HA CT2 HA
+ 211 31 112 109 111 # CC CT2 HA
+ 212 31 112 109 110 # CC CT2 HA
+ 213 120 114 112 113 # OC CC OC
+ 214 7 115 104 105 # C CT1 HB
+ 215 108 117 121 122 # HB CP1 N
+ 216 40 117 121 123 # CP2 CP1 N
+ 217 98 117 118 120 # HA CP3 N
+ 218 98 117 118 119 # HA CP3 N
+ 219 116 117 115 116 # N C O
+ 220 45 118 126 128 # CP3 CP2 HA
+ 221 45 118 126 127 # CP3 CP2 HA
+ 222 13 118 117 115 # C N CP3
+ 223 97 119 118 120 # HA CP3 HA
+ 224 35 121 129 130 # CP1 C O
+ 225 33 121 129 131 # CP1 C N
+ 226 37 121 123 125 # CP1 CP2 HA
+ 227 37 121 123 124 # CP1 CP2 HA
+ 228 36 121 123 126 # CP1 CP2 CP2
+ 229 12 121 117 115 # C N CP1
+ 230 38 121 117 118 # CP1 N CP3
+ 231 42 123 126 128 # CP2 CP2 HA
+ 232 42 123 126 127 # CP2 CP2 HA
+ 233 41 123 126 118 # CP2 CP2 CP3
+ 234 39 123 121 122 # CP2 CP1 HB
+ 235 96 124 123 125 # HA CP2 HA
+ 236 42 126 123 125 # CP2 CP2 HA
+ 237 42 126 123 124 # CP2 CP2 HA
+ 238 43 126 118 120 # CP2 CP3 HA
+ 239 43 126 118 119 # CP2 CP3 HA
+ 240 44 126 118 117 # CP2 CP3 N
+ 241 96 127 126 128 # HA CP2 HA
+ 242 2 129 121 122 # C CP1 HB
+ 243 1 129 121 123 # C CP1 CP2
+ 244 3 129 121 117 # C CP1 N
+ 245 108 131 135 136 # HB CP1 N
+ 246 40 131 135 137 # CP2 CP1 N
+ 247 98 131 132 134 # HA CP3 N
+ 248 98 131 132 133 # HA CP3 N
+ 249 116 131 129 130 # N C O
+ 250 45 132 140 142 # CP3 CP2 HA
+ 251 45 132 140 141 # CP3 CP2 HA
+ 252 13 132 131 129 # C N CP3
+ 253 97 133 132 134 # HA CP3 HA
+ 254 35 135 143 144 # CP1 C O
+ 255 34 135 143 145 # CP1 C NH1
+ 256 37 135 137 139 # CP1 CP2 HA
+ 257 37 135 137 138 # CP1 CP2 HA
+ 258 36 135 137 140 # CP1 CP2 CP2
+ 259 12 135 131 129 # C N CP1
+ 260 38 135 131 132 # CP1 N CP3
+ 261 42 137 140 142 # CP2 CP2 HA
+ 262 42 137 140 141 # CP2 CP2 HA
+ 263 41 137 140 132 # CP2 CP2 CP3
+ 264 39 137 135 136 # CP2 CP1 HB
+ 265 96 138 137 139 # HA CP2 HA
+ 266 42 140 137 139 # CP2 CP2 HA
+ 267 42 140 137 138 # CP2 CP2 HA
+ 268 43 140 132 134 # CP2 CP3 HA
+ 269 43 140 132 133 # CP2 CP3 HA
+ 270 44 140 132 131 # CP2 CP3 N
+ 271 96 141 140 142 # HA CP2 HA
+ 272 2 143 135 136 # C CP1 HB
+ 273 1 143 135 137 # C CP1 CP2
+ 274 3 143 135 131 # C CP1 N
+ 275 109 145 147 148 # HB CT1 NH1
+ 276 8 145 147 164 # C CT1 NH1
+ 277 118 145 143 144 # NH1 C O
+ 278 18 146 145 143 # C NH1 H
+ 279 63 146 145 147 # CT1 NH1 H
+ 280 48 147 164 165 # CT1 C O
+ 281 47 147 164 166 # CT1 C NH1
+ 282 59 147 149 151 # CT1 CT2 HA
+ 283 59 147 149 150 # CT1 CT2 HA
+ 284 23 147 149 152 # CA CT2 CT1
+ 285 16 147 145 143 # C NH1 CT1
+ 286 20 149 152 153 # CA CA CT2
+ 287 20 149 152 160 # CA CA CT2
+ 288 74 149 147 148 # CT2 CT1 HB
+ 289 5 149 147 164 # C CT1 CT2
+ 290 75 149 147 145 # CT2 CT1 NH1
+ 291 100 150 149 151 # HA CT2 HA
+ 292 19 152 160 162 # CA CA CA
+ 293 21 152 160 161 # CA CA HP
+ 294 24 152 149 151 # CA CT2 HA
+ 295 24 152 149 150 # CA CT2 HA
+ 296 19 153 155 157 # CA CA CA
+ 297 21 153 155 156 # CA CA HP
+ 298 21 154 153 152 # CA CA HP
+ 299 19 155 153 152 # CA CA CA
+ 300 21 155 153 154 # CA CA HP
+ 301 21 156 155 157 # CA CA HP
+ 302 19 157 162 160 # CA CA CA
+ 303 21 157 162 163 # CA CA HP
+ 304 25 157 158 159 # CA OH1 H
+ 305 22 158 157 155 # CA CA OH1
+ 306 19 160 152 153 # CA CA CA
+ 307 21 161 160 162 # CA CA HP
+ 308 19 162 157 155 # CA CA CA
+ 309 22 162 157 158 # CA CA OH1
+ 310 21 163 162 160 # CA CA HP
+ 311 7 164 147 148 # C CT1 HB
+ 312 109 166 168 169 # HB CT1 NH1
+ 313 8 166 168 178 # C CT1 NH1
+ 314 118 166 164 165 # NH1 C O
+ 315 18 167 166 164 # C NH1 H
+ 316 63 167 166 168 # CT1 NH1 H
+ 317 48 168 178 179 # CT1 C O
+ 318 47 168 178 180 # CT1 C NH1
+ 319 52 168 170 171 # CT1 CT1 HA
+ 320 51 168 170 174 # CT1 CT1 CT3
+ 321 55 168 170 172 # CT1 CT1 OH1
+ 322 16 168 166 164 # C NH1 CT1
+ 323 62 170 174 177 # CT1 CT3 HA
+ 324 62 170 174 176 # CT1 CT3 HA
+ 325 62 170 174 175 # CT1 CT3 HA
+ 326 65 170 172 173 # CT1 OH1 H
+ 327 53 170 168 169 # CT1 CT1 HB
+ 328 4 170 168 178 # C CT1 CT1
+ 329 54 170 168 166 # CT1 CT1 NH1
+ 330 99 172 170 171 # HA CT1 OH1
+ 331 93 172 170 174 # CT3 CT1 OH1
+ 332 90 174 170 171 # CT3 CT1 HA
+ 333 106 175 174 177 # HA CT3 HA
+ 334 106 175 174 176 # HA CT3 HA
+ 335 106 176 174 177 # HA CT3 HA
+ 336 7 178 168 169 # C CT1 HB
+ 337 112 180 182 184 # HB CT2 NH1
+ 338 112 180 182 183 # HB CT2 NH1
+ 339 11 180 182 185 # C CT2 NH1
+ 340 118 180 178 179 # NH1 C O
+ 341 18 181 180 178 # C NH1 H
+ 342 84 181 180 182 # CT2 NH1 H
+ 343 68 182 185 186 # CT2 C O
+ 344 66 182 185 187 # CT2 C N
+ 345 17 182 180 178 # C NH1 CT2
+ 346 111 183 182 184 # HB CT2 HB
+ 347 10 185 182 184 # C CT2 HB
+ 348 10 185 182 183 # C CT2 HB
+ 349 108 187 191 192 # HB CP1 N
+ 350 40 187 191 193 # CP2 CP1 N
+ 351 98 187 188 190 # HA CP3 N
+ 352 98 187 188 189 # HA CP3 N
+ 353 116 187 185 186 # N C O
+ 354 45 188 196 198 # CP3 CP2 HA
+ 355 45 188 196 197 # CP3 CP2 HA
+ 356 13 188 187 185 # C N CP3
+ 357 97 189 188 190 # HA CP3 HA
+ 358 35 191 199 200 # CP1 C O
+ 359 34 191 199 201 # CP1 C NH1
+ 360 37 191 193 195 # CP1 CP2 HA
+ 361 37 191 193 194 # CP1 CP2 HA
+ 362 36 191 193 196 # CP1 CP2 CP2
+ 363 12 191 187 185 # C N CP1
+ 364 38 191 187 188 # CP1 N CP3
+ 365 42 193 196 198 # CP2 CP2 HA
+ 366 42 193 196 197 # CP2 CP2 HA
+ 367 41 193 196 188 # CP2 CP2 CP3
+ 368 39 193 191 192 # CP2 CP1 HB
+ 369 96 194 193 195 # HA CP2 HA
+ 370 42 196 193 195 # CP2 CP2 HA
+ 371 42 196 193 194 # CP2 CP2 HA
+ 372 43 196 188 190 # CP2 CP3 HA
+ 373 43 196 188 189 # CP2 CP3 HA
+ 374 44 196 188 187 # CP2 CP3 N
+ 375 96 197 196 198 # HA CP2 HA
+ 376 2 199 191 192 # C CP1 HB
+ 377 1 199 191 193 # C CP1 CP2
+ 378 3 199 191 187 # C CP1 N
+ 379 109 201 203 204 # HB CT1 NH1
+ 380 8 201 203 209 # C CT1 NH1
+ 381 118 201 199 200 # NH1 C O
+ 382 18 202 201 199 # C NH1 H
+ 383 63 202 201 203 # CT1 NH1 H
+ 384 48 203 209 210 # CT1 C O
+ 385 47 203 209 211 # CT1 C NH1
+ 386 59 203 205 207 # CT1 CT2 HA
+ 387 59 203 205 206 # CT1 CT2 HA
+ 388 61 203 205 208 # CT1 CT2 SM
+ 389 16 203 201 199 # C NH1 CT1
+ 390 88 205 208 592 # CT2 SM SM
+ 391 74 205 203 204 # CT2 CT1 HB
+ 392 5 205 203 209 # C CT1 CT2
+ 393 75 205 203 201 # CT2 CT1 NH1
+ 394 100 206 205 207 # HA CT2 HA
+ 395 88 208 592 589 # CT2 SM SM
+ 396 105 208 205 207 # HA CT2 SM
+ 397 105 208 205 206 # HA CT2 SM
+ 398 7 209 203 204 # C CT1 HB
+ 399 109 211 213 214 # HB CT1 NH1
+ 400 8 211 213 231 # C CT1 NH1
+ 401 118 211 209 210 # NH1 C O
+ 402 18 212 211 209 # C NH1 H
+ 403 63 212 211 213 # CT1 NH1 H
+ 404 48 213 231 232 # CT1 C O
+ 405 47 213 231 233 # CT1 C NH1
+ 406 59 213 215 217 # CT1 CT2 HA
+ 407 59 213 215 216 # CT1 CT2 HA
+ 408 57 213 215 218 # CT1 CT2 CT2
+ 409 16 213 211 209 # C NH1 CT1
+ 410 78 215 218 220 # CT2 CT2 HA
+ 411 78 215 218 219 # CT2 CT2 HA
+ 412 77 215 218 221 # CT2 CT2 CT2
+ 413 74 215 213 214 # CT2 CT1 HB
+ 414 5 215 213 231 # C CT1 CT2
+ 415 75 215 213 211 # CT2 CT1 NH1
+ 416 100 216 215 217 # HA CT2 HA
+ 417 78 218 221 223 # CT2 CT2 HA
+ 418 78 218 221 222 # CT2 CT2 HA
+ 419 77 218 221 224 # CT2 CT2 CT2
+ 420 78 218 215 217 # CT2 CT2 HA
+ 421 78 218 215 216 # CT2 CT2 HA
+ 422 100 219 218 220 # HA CT2 HA
+ 423 78 221 224 226 # CT2 CT2 HA
+ 424 78 221 224 225 # CT2 CT2 HA
+ 425 80 221 224 227 # CT2 CT2 NH3
+ 426 78 221 218 220 # CT2 CT2 HA
+ 427 78 221 218 219 # CT2 CT2 HA
+ 428 100 222 221 223 # HA CT2 HA
+ 429 85 224 227 230 # CT2 NH3 HC
+ 430 85 224 227 229 # CT2 NH3 HC
+ 431 85 224 227 228 # CT2 NH3 HC
+ 432 78 224 221 223 # CT2 CT2 HA
+ 433 78 224 221 222 # CT2 CT2 HA
+ 434 100 225 224 226 # HA CT2 HA
+ 435 102 227 224 226 # HA CT2 NH3
+ 436 102 227 224 225 # HA CT2 NH3
+ 437 114 228 227 230 # HC NH3 HC
+ 438 114 228 227 229 # HC NH3 HC
+ 439 114 229 227 230 # HC NH3 HC
+ 440 7 231 213 214 # C CT1 HB
+ 441 109 233 235 236 # HB CT1 NH1
+ 442 8 233 235 241 # C CT1 NH1
+ 443 118 233 231 232 # NH1 C O
+ 444 18 234 233 231 # C NH1 H
+ 445 63 234 233 235 # CT1 NH1 H
+ 446 48 235 241 242 # CT1 C O
+ 447 47 235 241 243 # CT1 C NH1
+ 448 62 235 237 240 # CT1 CT3 HA
+ 449 62 235 237 239 # CT1 CT3 HA
+ 450 62 235 237 238 # CT1 CT3 HA
+ 451 16 235 233 231 # C NH1 CT1
+ 452 91 237 235 236 # CT3 CT1 HB
+ 453 6 237 235 241 # C CT1 CT3
+ 454 92 237 235 233 # CT3 CT1 NH1
+ 455 106 238 237 240 # HA CT3 HA
+ 456 106 238 237 239 # HA CT3 HA
+ 457 106 239 237 240 # HA CT3 HA
+ 458 7 241 235 236 # C CT1 HB
+ 459 109 243 245 246 # HB CT1 NH1
+ 460 8 243 245 265 # C CT1 NH1
+ 461 118 243 241 242 # NH1 C O
+ 462 18 244 243 241 # C NH1 H
+ 463 63 244 243 245 # CT1 NH1 H
+ 464 48 245 265 266 # CT1 C O
+ 465 47 245 265 267 # CT1 C NH1
+ 466 59 245 247 249 # CT1 CT2 HA
+ 467 59 245 247 248 # CT1 CT2 HA
+ 468 57 245 247 250 # CT1 CT2 CT2
+ 469 16 245 243 241 # C NH1 CT1
+ 470 78 247 250 252 # CT2 CT2 HA
+ 471 78 247 250 251 # CT2 CT2 HA
+ 472 77 247 250 253 # CT2 CT2 CT2
+ 473 74 247 245 246 # CT2 CT1 HB
+ 474 5 247 245 265 # C CT1 CT2
+ 475 75 247 245 243 # CT2 CT1 NH1
+ 476 100 248 247 249 # HA CT2 HA
+ 477 78 250 253 255 # CT2 CT2 HA
+ 478 78 250 253 254 # CT2 CT2 HA
+ 479 79 250 253 256 # CT2 CT2 NC2
+ 480 78 250 247 249 # CT2 CT2 HA
+ 481 78 250 247 248 # CT2 CT2 HA
+ 482 100 251 250 252 # HA CT2 HA
+ 483 83 253 256 257 # CT2 NC2 HC
+ 484 14 253 256 258 # C NC2 CT2
+ 485 78 253 250 252 # CT2 CT2 HA
+ 486 78 253 250 251 # CT2 CT2 HA
+ 487 100 254 253 255 # HA CT2 HA
+ 488 117 256 258 259 # NC2 C NC2
+ 489 117 256 258 262 # NC2 C NC2
+ 490 101 256 253 255 # HA CT2 NC2
+ 491 101 256 253 254 # HA CT2 NC2
+ 492 15 258 262 264 # C NC2 HC
+ 493 15 258 262 263 # C NC2 HC
+ 494 15 258 256 257 # C NC2 HC
+ 495 15 260 259 258 # C NC2 HC
+ 496 113 260 259 261 # HC NC2 HC
+ 497 15 261 259 258 # C NC2 HC
+ 498 117 262 258 259 # NC2 C NC2
+ 499 113 263 262 264 # HC NC2 HC
+ 500 7 265 245 246 # C CT1 HB
+ 501 109 267 269 270 # HB CT1 NH1
+ 502 8 267 269 284 # C CT1 NH1
+ 503 118 267 265 266 # NH1 C O
+ 504 18 268 267 265 # C NH1 H
+ 505 63 268 267 269 # CT1 NH1 H
+ 506 48 269 284 285 # CT1 C O
+ 507 47 269 284 286 # CT1 C NH1
+ 508 52 269 271 272 # CT1 CT1 HA
+ 509 51 269 271 273 # CT1 CT1 CT3
+ 510 50 269 271 277 # CT1 CT1 CT2
+ 511 16 269 267 265 # C NH1 CT1
+ 512 59 271 277 279 # CT1 CT2 HA
+ 513 59 271 277 278 # CT1 CT2 HA
+ 514 58 271 277 280 # CT1 CT2 CT3
+ 515 62 271 273 276 # CT1 CT3 HA
+ 516 62 271 273 275 # CT1 CT3 HA
+ 517 62 271 273 274 # CT1 CT3 HA
+ 518 53 271 269 270 # CT1 CT1 HB
+ 519 4 271 269 284 # C CT1 CT1
+ 520 54 271 269 267 # CT1 CT1 NH1
+ 521 90 273 271 272 # CT3 CT1 HA
+ 522 106 274 273 276 # HA CT3 HA
+ 523 106 274 273 275 # HA CT3 HA
+ 524 106 275 273 276 # HA CT3 HA
+ 525 82 277 280 283 # CT2 CT3 HA
+ 526 82 277 280 282 # CT2 CT3 HA
+ 527 82 277 280 281 # CT2 CT3 HA
+ 528 73 277 271 272 # CT2 CT1 HA
+ 529 72 277 271 273 # CT2 CT1 CT3
+ 530 100 278 277 279 # HA CT2 HA
+ 531 94 280 277 279 # CT3 CT2 HA
+ 532 94 280 277 278 # CT3 CT2 HA
+ 533 106 281 280 283 # HA CT3 HA
+ 534 106 281 280 282 # HA CT3 HA
+ 535 106 282 280 283 # HA CT3 HA
+ 536 7 284 269 270 # C CT1 HB
+ 537 109 286 288 289 # HB CT1 NH1
+ 538 8 286 288 303 # C CT1 NH1
+ 539 118 286 284 285 # NH1 C O
+ 540 18 287 286 284 # C NH1 H
+ 541 63 287 286 288 # CT1 NH1 H
+ 542 48 288 303 304 # CT1 C O
+ 543 47 288 303 305 # CT1 C NH1
+ 544 52 288 290 291 # CT1 CT1 HA
+ 545 51 288 290 292 # CT1 CT1 CT3
+ 546 50 288 290 296 # CT1 CT1 CT2
+ 547 16 288 286 284 # C NH1 CT1
+ 548 59 290 296 298 # CT1 CT2 HA
+ 549 59 290 296 297 # CT1 CT2 HA
+ 550 58 290 296 299 # CT1 CT2 CT3
+ 551 62 290 292 295 # CT1 CT3 HA
+ 552 62 290 292 294 # CT1 CT3 HA
+ 553 62 290 292 293 # CT1 CT3 HA
+ 554 53 290 288 289 # CT1 CT1 HB
+ 555 4 290 288 303 # C CT1 CT1
+ 556 54 290 288 286 # CT1 CT1 NH1
+ 557 90 292 290 291 # CT3 CT1 HA
+ 558 106 293 292 295 # HA CT3 HA
+ 559 106 293 292 294 # HA CT3 HA
+ 560 106 294 292 295 # HA CT3 HA
+ 561 82 296 299 302 # CT2 CT3 HA
+ 562 82 296 299 301 # CT2 CT3 HA
+ 563 82 296 299 300 # CT2 CT3 HA
+ 564 73 296 290 291 # CT2 CT1 HA
+ 565 72 296 290 292 # CT2 CT1 CT3
+ 566 100 297 296 298 # HA CT2 HA
+ 567 94 299 296 298 # CT3 CT2 HA
+ 568 94 299 296 297 # CT3 CT2 HA
+ 569 106 300 299 302 # HA CT3 HA
+ 570 106 300 299 301 # HA CT3 HA
+ 571 106 301 299 302 # HA CT3 HA
+ 572 7 303 288 289 # C CT1 HB
+ 573 109 305 307 308 # HB CT1 NH1
+ 574 8 305 307 327 # C CT1 NH1
+ 575 118 305 303 304 # NH1 C O
+ 576 18 306 305 303 # C NH1 H
+ 577 63 306 305 307 # CT1 NH1 H
+ 578 48 307 327 328 # CT1 C O
+ 579 47 307 327 329 # CT1 C NH1
+ 580 59 307 309 311 # CT1 CT2 HA
+ 581 59 307 309 310 # CT1 CT2 HA
+ 582 57 307 309 312 # CT1 CT2 CT2
+ 583 16 307 305 303 # C NH1 CT1
+ 584 78 309 312 314 # CT2 CT2 HA
+ 585 78 309 312 313 # CT2 CT2 HA
+ 586 77 309 312 315 # CT2 CT2 CT2
+ 587 74 309 307 308 # CT2 CT1 HB
+ 588 5 309 307 327 # C CT1 CT2
+ 589 75 309 307 305 # CT2 CT1 NH1
+ 590 100 310 309 311 # HA CT2 HA
+ 591 78 312 315 317 # CT2 CT2 HA
+ 592 78 312 315 316 # CT2 CT2 HA
+ 593 79 312 315 318 # CT2 CT2 NC2
+ 594 78 312 309 311 # CT2 CT2 HA
+ 595 78 312 309 310 # CT2 CT2 HA
+ 596 100 313 312 314 # HA CT2 HA
+ 597 83 315 318 319 # CT2 NC2 HC
+ 598 14 315 318 320 # C NC2 CT2
+ 599 78 315 312 314 # CT2 CT2 HA
+ 600 78 315 312 313 # CT2 CT2 HA
+ 601 100 316 315 317 # HA CT2 HA
+ 602 117 318 320 321 # NC2 C NC2
+ 603 117 318 320 324 # NC2 C NC2
+ 604 101 318 315 317 # HA CT2 NC2
+ 605 101 318 315 316 # HA CT2 NC2
+ 606 15 320 324 326 # C NC2 HC
+ 607 15 320 324 325 # C NC2 HC
+ 608 15 320 318 319 # C NC2 HC
+ 609 15 322 321 320 # C NC2 HC
+ 610 113 322 321 323 # HC NC2 HC
+ 611 15 323 321 320 # C NC2 HC
+ 612 117 324 320 321 # NC2 C NC2
+ 613 113 325 324 326 # HC NC2 HC
+ 614 7 327 307 308 # C CT1 HB
+ 615 109 329 331 332 # HB CT1 NH1
+ 616 8 329 331 348 # C CT1 NH1
+ 617 118 329 327 328 # NH1 C O
+ 618 18 330 329 327 # C NH1 H
+ 619 63 330 329 331 # CT1 NH1 H
+ 620 48 331 348 349 # CT1 C O
+ 621 47 331 348 350 # CT1 C NH1
+ 622 59 331 333 335 # CT1 CT2 HA
+ 623 59 331 333 334 # CT1 CT2 HA
+ 624 23 331 333 336 # CA CT2 CT1
+ 625 16 331 329 327 # C NH1 CT1
+ 626 20 333 336 337 # CA CA CT2
+ 627 20 333 336 344 # CA CA CT2
+ 628 74 333 331 332 # CT2 CT1 HB
+ 629 5 333 331 348 # C CT1 CT2
+ 630 75 333 331 329 # CT2 CT1 NH1
+ 631 100 334 333 335 # HA CT2 HA
+ 632 19 336 344 346 # CA CA CA
+ 633 21 336 344 345 # CA CA HP
+ 634 24 336 333 335 # CA CT2 HA
+ 635 24 336 333 334 # CA CT2 HA
+ 636 19 337 339 341 # CA CA CA
+ 637 21 337 339 340 # CA CA HP
+ 638 21 338 337 336 # CA CA HP
+ 639 19 339 337 336 # CA CA CA
+ 640 21 339 337 338 # CA CA HP
+ 641 21 340 339 341 # CA CA HP
+ 642 19 341 346 344 # CA CA CA
+ 643 21 341 346 347 # CA CA HP
+ 644 25 341 342 343 # CA OH1 H
+ 645 22 342 341 339 # CA CA OH1
+ 646 19 344 336 337 # CA CA CA
+ 647 21 345 344 346 # CA CA HP
+ 648 19 346 341 339 # CA CA CA
+ 649 22 346 341 342 # CA CA OH1
+ 650 21 347 346 344 # CA CA HP
+ 651 7 348 331 332 # C CT1 HB
+ 652 109 350 352 353 # HB CT1 NH1
+ 653 8 350 352 368 # C CT1 NH1
+ 654 118 350 348 349 # NH1 C O
+ 655 18 351 350 348 # C NH1 H
+ 656 63 351 350 352 # CT1 NH1 H
+ 657 48 352 368 369 # CT1 C O
+ 658 47 352 368 370 # CT1 C NH1
+ 659 59 352 354 356 # CT1 CT2 HA
+ 660 59 352 354 355 # CT1 CT2 HA
+ 661 23 352 354 357 # CA CT2 CT1
+ 662 16 352 350 348 # C NH1 CT1
+ 663 20 354 357 358 # CA CA CT2
+ 664 20 354 357 364 # CA CA CT2
+ 665 74 354 352 353 # CT2 CT1 HB
+ 666 5 354 352 368 # C CT1 CT2
+ 667 75 354 352 350 # CT2 CT1 NH1
+ 668 100 355 354 356 # HA CT2 HA
+ 669 19 357 364 366 # CA CA CA
+ 670 21 357 364 365 # CA CA HP
+ 671 24 357 354 356 # CA CT2 HA
+ 672 24 357 354 355 # CA CT2 HA
+ 673 19 358 360 362 # CA CA CA
+ 674 21 358 360 361 # CA CA HP
+ 675 21 359 358 357 # CA CA HP
+ 676 21 360 362 363 # CA CA HP
+ 677 19 360 358 357 # CA CA CA
+ 678 21 360 358 359 # CA CA HP
+ 679 21 361 360 362 # CA CA HP
+ 680 21 362 366 367 # CA CA HP
+ 681 19 362 366 364 # CA CA CA
+ 682 21 364 366 367 # CA CA HP
+ 683 19 364 357 358 # CA CA CA
+ 684 21 365 364 366 # CA CA HP
+ 685 21 366 362 363 # CA CA HP
+ 686 19 366 362 360 # CA CA CA
+ 687 7 368 352 353 # C CT1 HB
+ 688 109 370 372 373 # HB CT1 NH1
+ 689 8 370 372 389 # C CT1 NH1
+ 690 118 370 368 369 # NH1 C O
+ 691 18 371 370 368 # C NH1 H
+ 692 63 371 370 372 # CT1 NH1 H
+ 693 48 372 389 390 # CT1 C O
+ 694 47 372 389 391 # CT1 C NH1
+ 695 59 372 374 376 # CT1 CT2 HA
+ 696 59 372 374 375 # CT1 CT2 HA
+ 697 23 372 374 377 # CA CT2 CT1
+ 698 16 372 370 368 # C NH1 CT1
+ 699 20 374 377 378 # CA CA CT2
+ 700 20 374 377 385 # CA CA CT2
+ 701 74 374 372 373 # CT2 CT1 HB
+ 702 5 374 372 389 # C CT1 CT2
+ 703 75 374 372 370 # CT2 CT1 NH1
+ 704 100 375 374 376 # HA CT2 HA
+ 705 19 377 385 387 # CA CA CA
+ 706 21 377 385 386 # CA CA HP
+ 707 24 377 374 376 # CA CT2 HA
+ 708 24 377 374 375 # CA CT2 HA
+ 709 19 378 380 382 # CA CA CA
+ 710 21 378 380 381 # CA CA HP
+ 711 21 379 378 377 # CA CA HP
+ 712 19 380 378 377 # CA CA CA
+ 713 21 380 378 379 # CA CA HP
+ 714 21 381 380 382 # CA CA HP
+ 715 19 382 387 385 # CA CA CA
+ 716 21 382 387 388 # CA CA HP
+ 717 25 382 383 384 # CA OH1 H
+ 718 22 383 382 380 # CA CA OH1
+ 719 19 385 377 378 # CA CA CA
+ 720 21 386 385 387 # CA CA HP
+ 721 19 387 382 380 # CA CA CA
+ 722 22 387 382 383 # CA CA OH1
+ 723 21 388 387 385 # CA CA HP
+ 724 7 389 372 373 # C CT1 HB
+ 725 109 391 393 394 # HB CT1 NH1
+ 726 8 391 393 403 # C CT1 NH1
+ 727 118 391 389 390 # NH1 C O
+ 728 18 392 391 389 # C NH1 H
+ 729 63 392 391 393 # CT1 NH1 H
+ 730 48 393 403 404 # CT1 C O
+ 731 47 393 403 405 # CT1 C NH1
+ 732 59 393 395 397 # CT1 CT2 HA
+ 733 59 393 395 396 # CT1 CT2 HA
+ 734 29 393 395 398 # CC CT2 CT1
+ 735 16 393 391 389 # C NH1 CT1
+ 736 70 395 398 399 # CT2 CC O
+ 737 69 395 398 400 # CT2 CC NH2
+ 738 74 395 393 394 # CT2 CT1 HB
+ 739 5 395 393 403 # C CT1 CT2
+ 740 75 395 393 391 # CT2 CT1 NH1
+ 741 100 396 395 397 # HA CT2 HA
+ 742 32 398 400 402 # CC NH2 H
+ 743 32 398 400 401 # CC NH2 H
+ 744 31 398 395 397 # CC CT2 HA
+ 745 31 398 395 396 # CC CT2 HA
+ 746 119 400 398 399 # NH2 CC O
+ 747 95 401 400 402 # H NH2 H
+ 748 7 403 393 394 # C CT1 HB
+ 749 109 405 407 408 # HB CT1 NH1
+ 750 8 405 407 413 # C CT1 NH1
+ 751 118 405 403 404 # NH1 C O
+ 752 18 406 405 403 # C NH1 H
+ 753 63 406 405 407 # CT1 NH1 H
+ 754 48 407 413 414 # CT1 C O
+ 755 47 407 413 415 # CT1 C NH1
+ 756 62 407 409 412 # CT1 CT3 HA
+ 757 62 407 409 411 # CT1 CT3 HA
+ 758 62 407 409 410 # CT1 CT3 HA
+ 759 16 407 405 403 # C NH1 CT1
+ 760 91 409 407 408 # CT3 CT1 HB
+ 761 6 409 407 413 # C CT1 CT3
+ 762 92 409 407 405 # CT3 CT1 NH1
+ 763 106 410 409 412 # HA CT3 HA
+ 764 106 410 409 411 # HA CT3 HA
+ 765 106 411 409 412 # HA CT3 HA
+ 766 7 413 407 408 # C CT1 HB
+ 767 109 415 417 418 # HB CT1 NH1
+ 768 8 415 417 435 # C CT1 NH1
+ 769 118 415 413 414 # NH1 C O
+ 770 18 416 415 413 # C NH1 H
+ 771 63 416 415 417 # CT1 NH1 H
+ 772 48 417 435 436 # CT1 C O
+ 773 47 417 435 437 # CT1 C NH1
+ 774 59 417 419 421 # CT1 CT2 HA
+ 775 59 417 419 420 # CT1 CT2 HA
+ 776 57 417 419 422 # CT1 CT2 CT2
+ 777 16 417 415 413 # C NH1 CT1
+ 778 78 419 422 424 # CT2 CT2 HA
+ 779 78 419 422 423 # CT2 CT2 HA
+ 780 77 419 422 425 # CT2 CT2 CT2
+ 781 74 419 417 418 # CT2 CT1 HB
+ 782 5 419 417 435 # C CT1 CT2
+ 783 75 419 417 415 # CT2 CT1 NH1
+ 784 100 420 419 421 # HA CT2 HA
+ 785 78 422 425 427 # CT2 CT2 HA
+ 786 78 422 425 426 # CT2 CT2 HA
+ 787 77 422 425 428 # CT2 CT2 CT2
+ 788 78 422 419 421 # CT2 CT2 HA
+ 789 78 422 419 420 # CT2 CT2 HA
+ 790 100 423 422 424 # HA CT2 HA
+ 791 78 425 428 430 # CT2 CT2 HA
+ 792 78 425 428 429 # CT2 CT2 HA
+ 793 80 425 428 431 # CT2 CT2 NH3
+ 794 78 425 422 424 # CT2 CT2 HA
+ 795 78 425 422 423 # CT2 CT2 HA
+ 796 100 426 425 427 # HA CT2 HA
+ 797 85 428 431 434 # CT2 NH3 HC
+ 798 85 428 431 433 # CT2 NH3 HC
+ 799 85 428 431 432 # CT2 NH3 HC
+ 800 78 428 425 427 # CT2 CT2 HA
+ 801 78 428 425 426 # CT2 CT2 HA
+ 802 100 429 428 430 # HA CT2 HA
+ 803 102 431 428 430 # HA CT2 NH3
+ 804 102 431 428 429 # HA CT2 NH3
+ 805 114 432 431 434 # HC NH3 HC
+ 806 114 432 431 433 # HC NH3 HC
+ 807 114 433 431 434 # HC NH3 HC
+ 808 7 435 417 418 # C CT1 HB
+ 809 109 437 439 440 # HB CT1 NH1
+ 810 8 437 439 445 # C CT1 NH1
+ 811 118 437 435 436 # NH1 C O
+ 812 18 438 437 435 # C NH1 H
+ 813 63 438 437 439 # CT1 NH1 H
+ 814 48 439 445 446 # CT1 C O
+ 815 47 439 445 447 # CT1 C NH1
+ 816 62 439 441 444 # CT1 CT3 HA
+ 817 62 439 441 443 # CT1 CT3 HA
+ 818 62 439 441 442 # CT1 CT3 HA
+ 819 16 439 437 435 # C NH1 CT1
+ 820 91 441 439 440 # CT3 CT1 HB
+ 821 6 441 439 445 # C CT1 CT3
+ 822 92 441 439 437 # CT3 CT1 NH1
+ 823 106 442 441 444 # HA CT3 HA
+ 824 106 442 441 443 # HA CT3 HA
+ 825 106 443 441 444 # HA CT3 HA
+ 826 7 445 439 440 # C CT1 HB
+ 827 112 447 449 451 # HB CT2 NH1
+ 828 112 447 449 450 # HB CT2 NH1
+ 829 11 447 449 452 # C CT2 NH1
+ 830 118 447 445 446 # NH1 C O
+ 831 18 448 447 445 # C NH1 H
+ 832 84 448 447 449 # CT2 NH1 H
+ 833 68 449 452 453 # CT2 C O
+ 834 67 449 452 454 # CT2 C NH1
+ 835 17 449 447 445 # C NH1 CT2
+ 836 111 450 449 451 # HB CT2 HB
+ 837 10 452 449 451 # C CT2 HB
+ 838 10 452 449 450 # C CT2 HB
+ 839 109 454 456 457 # HB CT1 NH1
+ 840 8 454 456 471 # C CT1 NH1
+ 841 118 454 452 453 # NH1 C O
+ 842 18 455 454 452 # C NH1 H
+ 843 63 455 454 456 # CT1 NH1 H
+ 844 48 456 471 472 # CT1 C O
+ 845 47 456 471 473 # CT1 C NH1
+ 846 59 456 458 460 # CT1 CT2 HA
+ 847 59 456 458 459 # CT1 CT2 HA
+ 848 56 456 458 461 # CT1 CT2 CT1
+ 849 16 456 454 452 # C NH1 CT1
+ 850 73 458 461 462 # CT2 CT1 HA
+ 851 72 458 461 467 # CT2 CT1 CT3
+ 852 72 458 461 463 # CT2 CT1 CT3
+ 853 74 458 456 457 # CT2 CT1 HB
+ 854 5 458 456 471 # C CT1 CT2
+ 855 75 458 456 454 # CT2 CT1 NH1
+ 856 100 459 458 460 # HA CT2 HA
+ 857 62 461 467 470 # CT1 CT3 HA
+ 858 62 461 467 469 # CT1 CT3 HA
+ 859 62 461 467 468 # CT1 CT3 HA
+ 860 62 461 463 466 # CT1 CT3 HA
+ 861 62 461 463 465 # CT1 CT3 HA
+ 862 62 461 463 464 # CT1 CT3 HA
+ 863 59 461 458 460 # CT1 CT2 HA
+ 864 59 461 458 459 # CT1 CT2 HA
+ 865 90 463 461 462 # CT3 CT1 HA
+ 866 89 463 461 467 # CT3 CT1 CT3
+ 867 106 464 463 466 # HA CT3 HA
+ 868 106 464 463 465 # HA CT3 HA
+ 869 106 465 463 466 # HA CT3 HA
+ 870 90 467 461 462 # CT3 CT1 HA
+ 871 106 468 467 470 # HA CT3 HA
+ 872 106 468 467 469 # HA CT3 HA
+ 873 106 469 467 470 # HA CT3 HA
+ 874 7 471 456 457 # C CT1 HB
+ 875 109 473 475 476 # HB CT1 NH1
+ 876 8 473 475 481 # C CT1 NH1
+ 877 118 473 471 472 # NH1 C O
+ 878 18 474 473 471 # C NH1 H
+ 879 63 474 473 475 # CT1 NH1 H
+ 880 48 475 481 482 # CT1 C O
+ 881 47 475 481 483 # CT1 C NH1
+ 882 59 475 477 479 # CT1 CT2 HA
+ 883 59 475 477 478 # CT1 CT2 HA
+ 884 61 475 477 480 # CT1 CT2 SM
+ 885 16 475 473 471 # C NH1 CT1
+ 886 88 477 480 800 # CT2 SM SM
+ 887 74 477 475 476 # CT2 CT1 HB
+ 888 5 477 475 481 # C CT1 CT2
+ 889 75 477 475 473 # CT2 CT1 NH1
+ 890 100 478 477 479 # HA CT2 HA
+ 891 88 480 800 797 # CT2 SM SM
+ 892 105 480 477 479 # HA CT2 SM
+ 893 105 480 477 478 # HA CT2 SM
+ 894 7 481 475 476 # C CT1 HB
+ 895 109 483 485 486 # HB CT1 NH1
+ 896 8 483 485 498 # C CT1 NH1
+ 897 118 483 481 482 # NH1 C O
+ 898 18 484 483 481 # C NH1 H
+ 899 63 484 483 485 # CT1 NH1 H
+ 900 48 485 498 499 # CT1 C O
+ 901 47 485 498 500 # CT1 C NH1
+ 902 59 485 487 489 # CT1 CT2 HA
+ 903 59 485 487 488 # CT1 CT2 HA
+ 904 57 485 487 490 # CT1 CT2 CT2
+ 905 16 485 483 481 # C NH1 CT1
+ 906 78 487 490 492 # CT2 CT2 HA
+ 907 78 487 490 491 # CT2 CT2 HA
+ 908 30 487 490 493 # CC CT2 CT2
+ 909 74 487 485 486 # CT2 CT1 HB
+ 910 5 487 485 498 # C CT1 CT2
+ 911 75 487 485 483 # CT2 CT1 NH1
+ 912 100 488 487 489 # HA CT2 HA
+ 913 70 490 493 494 # CT2 CC O
+ 914 69 490 493 495 # CT2 CC NH2
+ 915 78 490 487 489 # CT2 CT2 HA
+ 916 78 490 487 488 # CT2 CT2 HA
+ 917 100 491 490 492 # HA CT2 HA
+ 918 32 493 495 497 # CC NH2 H
+ 919 32 493 495 496 # CC NH2 H
+ 920 31 493 490 492 # CC CT2 HA
+ 921 31 493 490 491 # CC CT2 HA
+ 922 119 495 493 494 # NH2 CC O
+ 923 95 496 495 497 # H NH2 H
+ 924 7 498 485 486 # C CT1 HB
+ 925 109 500 502 503 # HB CT1 NH1
+ 926 8 500 502 512 # C CT1 NH1
+ 927 118 500 498 499 # NH1 C O
+ 928 18 501 500 498 # C NH1 H
+ 929 63 501 500 502 # CT1 NH1 H
+ 930 48 502 512 513 # CT1 C O
+ 931 47 502 512 514 # CT1 C NH1
+ 932 52 502 504 505 # CT1 CT1 HA
+ 933 51 502 504 508 # CT1 CT1 CT3
+ 934 55 502 504 506 # CT1 CT1 OH1
+ 935 16 502 500 498 # C NH1 CT1
+ 936 62 504 508 511 # CT1 CT3 HA
+ 937 62 504 508 510 # CT1 CT3 HA
+ 938 62 504 508 509 # CT1 CT3 HA
+ 939 65 504 506 507 # CT1 OH1 H
+ 940 53 504 502 503 # CT1 CT1 HB
+ 941 4 504 502 512 # C CT1 CT1
+ 942 54 504 502 500 # CT1 CT1 NH1
+ 943 99 506 504 505 # HA CT1 OH1
+ 944 93 506 504 508 # CT3 CT1 OH1
+ 945 90 508 504 505 # CT3 CT1 HA
+ 946 106 509 508 511 # HA CT3 HA
+ 947 106 509 508 510 # HA CT3 HA
+ 948 106 510 508 511 # HA CT3 HA
+ 949 7 512 502 503 # C CT1 HB
+ 950 109 514 516 517 # HB CT1 NH1
+ 951 8 514 516 532 # C CT1 NH1
+ 952 118 514 512 513 # NH1 C O
+ 953 18 515 514 512 # C NH1 H
+ 954 63 515 514 516 # CT1 NH1 H
+ 955 48 516 532 533 # CT1 C O
+ 956 47 516 532 534 # CT1 C NH1
+ 957 59 516 518 520 # CT1 CT2 HA
+ 958 59 516 518 519 # CT1 CT2 HA
+ 959 23 516 518 521 # CA CT2 CT1
+ 960 16 516 514 512 # C NH1 CT1
+ 961 20 518 521 522 # CA CA CT2
+ 962 20 518 521 528 # CA CA CT2
+ 963 74 518 516 517 # CT2 CT1 HB
+ 964 5 518 516 532 # C CT1 CT2
+ 965 75 518 516 514 # CT2 CT1 NH1
+ 966 100 519 518 520 # HA CT2 HA
+ 967 19 521 528 530 # CA CA CA
+ 968 21 521 528 529 # CA CA HP
+ 969 24 521 518 520 # CA CT2 HA
+ 970 24 521 518 519 # CA CT2 HA
+ 971 19 522 524 526 # CA CA CA
+ 972 21 522 524 525 # CA CA HP
+ 973 21 523 522 521 # CA CA HP
+ 974 21 524 526 527 # CA CA HP
+ 975 19 524 522 521 # CA CA CA
+ 976 21 524 522 523 # CA CA HP
+ 977 21 525 524 526 # CA CA HP
+ 978 21 526 530 531 # CA CA HP
+ 979 19 526 530 528 # CA CA CA
+ 980 21 528 530 531 # CA CA HP
+ 981 19 528 521 522 # CA CA CA
+ 982 21 529 528 530 # CA CA HP
+ 983 21 530 526 527 # CA CA HP
+ 984 19 530 526 524 # CA CA CA
+ 985 7 532 516 517 # C CT1 HB
+ 986 109 534 536 537 # HB CT1 NH1
+ 987 8 534 536 548 # C CT1 NH1
+ 988 118 534 532 533 # NH1 C O
+ 989 18 535 534 532 # C NH1 H
+ 990 63 535 534 536 # CT1 NH1 H
+ 991 48 536 548 549 # CT1 C O
+ 992 47 536 548 550 # CT1 C NH1
+ 993 52 536 538 539 # CT1 CT1 HA
+ 994 51 536 538 544 # CT1 CT1 CT3
+ 995 51 536 538 540 # CT1 CT1 CT3
+ 996 16 536 534 532 # C NH1 CT1
+ 997 62 538 544 547 # CT1 CT3 HA
+ 998 62 538 544 546 # CT1 CT3 HA
+ 999 62 538 544 545 # CT1 CT3 HA
+ 1000 62 538 540 543 # CT1 CT3 HA
+ 1001 62 538 540 542 # CT1 CT3 HA
+ 1002 62 538 540 541 # CT1 CT3 HA
+ 1003 53 538 536 537 # CT1 CT1 HB
+ 1004 4 538 536 548 # C CT1 CT1
+ 1005 54 538 536 534 # CT1 CT1 NH1
+ 1006 90 540 538 539 # CT3 CT1 HA
+ 1007 89 540 538 544 # CT3 CT1 CT3
+ 1008 106 541 540 543 # HA CT3 HA
+ 1009 106 541 540 542 # HA CT3 HA
+ 1010 106 542 540 543 # HA CT3 HA
+ 1011 90 544 538 539 # CT3 CT1 HA
+ 1012 106 545 544 547 # HA CT3 HA
+ 1013 106 545 544 546 # HA CT3 HA
+ 1014 106 546 544 547 # HA CT3 HA
+ 1015 7 548 536 537 # C CT1 HB
+ 1016 109 550 552 553 # HB CT1 NH1
+ 1017 8 550 552 569 # C CT1 NH1
+ 1018 118 550 548 549 # NH1 C O
+ 1019 18 551 550 548 # C NH1 H
+ 1020 63 551 550 552 # CT1 NH1 H
+ 1021 48 552 569 570 # CT1 C O
+ 1022 47 552 569 571 # CT1 C NH1
+ 1023 59 552 554 556 # CT1 CT2 HA
+ 1024 59 552 554 555 # CT1 CT2 HA
+ 1025 23 552 554 557 # CA CT2 CT1
+ 1026 16 552 550 548 # C NH1 CT1
+ 1027 20 554 557 558 # CA CA CT2
+ 1028 20 554 557 565 # CA CA CT2
+ 1029 74 554 552 553 # CT2 CT1 HB
+ 1030 5 554 552 569 # C CT1 CT2
+ 1031 75 554 552 550 # CT2 CT1 NH1
+ 1032 100 555 554 556 # HA CT2 HA
+ 1033 19 557 565 567 # CA CA CA
+ 1034 21 557 565 566 # CA CA HP
+ 1035 24 557 554 556 # CA CT2 HA
+ 1036 24 557 554 555 # CA CT2 HA
+ 1037 19 558 560 562 # CA CA CA
+ 1038 21 558 560 561 # CA CA HP
+ 1039 21 559 558 557 # CA CA HP
+ 1040 19 560 558 557 # CA CA CA
+ 1041 21 560 558 559 # CA CA HP
+ 1042 21 561 560 562 # CA CA HP
+ 1043 19 562 567 565 # CA CA CA
+ 1044 21 562 567 568 # CA CA HP
+ 1045 25 562 563 564 # CA OH1 H
+ 1046 22 563 562 560 # CA CA OH1
+ 1047 19 565 557 558 # CA CA CA
+ 1048 21 566 565 567 # CA CA HP
+ 1049 19 567 562 560 # CA CA CA
+ 1050 22 567 562 563 # CA CA OH1
+ 1051 21 568 567 565 # CA CA HP
+ 1052 7 569 552 553 # C CT1 HB
+ 1053 112 571 573 575 # HB CT2 NH1
+ 1054 112 571 573 574 # HB CT2 NH1
+ 1055 11 571 573 576 # C CT2 NH1
+ 1056 118 571 569 570 # NH1 C O
+ 1057 18 572 571 569 # C NH1 H
+ 1058 84 572 571 573 # CT2 NH1 H
+ 1059 68 573 576 577 # CT2 C O
+ 1060 67 573 576 578 # CT2 C NH1
+ 1061 17 573 571 569 # C NH1 CT2
+ 1062 111 574 573 575 # HB CT2 HB
+ 1063 10 576 573 575 # C CT2 HB
+ 1064 10 576 573 574 # C CT2 HB
+ 1065 112 578 580 582 # HB CT2 NH1
+ 1066 112 578 580 581 # HB CT2 NH1
+ 1067 11 578 580 583 # C CT2 NH1
+ 1068 118 578 576 577 # NH1 C O
+ 1069 18 579 578 576 # C NH1 H
+ 1070 84 579 578 580 # CT2 NH1 H
+ 1071 68 580 583 584 # CT2 C O
+ 1072 67 580 583 585 # CT2 C NH1
+ 1073 17 580 578 576 # C NH1 CT2
+ 1074 111 581 580 582 # HB CT2 HB
+ 1075 10 583 580 582 # C CT2 HB
+ 1076 10 583 580 581 # C CT2 HB
+ 1077 109 585 587 588 # HB CT1 NH1
+ 1078 8 585 587 593 # C CT1 NH1
+ 1079 118 585 583 584 # NH1 C O
+ 1080 18 586 585 583 # C NH1 H
+ 1081 63 586 585 587 # CT1 NH1 H
+ 1082 48 587 593 594 # CT1 C O
+ 1083 47 587 593 595 # CT1 C NH1
+ 1084 59 587 589 591 # CT1 CT2 HA
+ 1085 59 587 589 590 # CT1 CT2 HA
+ 1086 61 587 589 592 # CT1 CT2 SM
+ 1087 16 587 585 583 # C NH1 CT1
+ 1088 74 589 587 588 # CT2 CT1 HB
+ 1089 5 589 587 593 # C CT1 CT2
+ 1090 75 589 587 585 # CT2 CT1 NH1
+ 1091 100 590 589 591 # HA CT2 HA
+ 1092 105 592 589 591 # HA CT2 SM
+ 1093 105 592 589 590 # HA CT2 SM
+ 1094 7 593 587 588 # C CT1 HB
+ 1095 109 595 597 598 # HB CT1 NH1
+ 1096 8 595 597 617 # C CT1 NH1
+ 1097 118 595 593 594 # NH1 C O
+ 1098 18 596 595 593 # C NH1 H
+ 1099 63 596 595 597 # CT1 NH1 H
+ 1100 48 597 617 618 # CT1 C O
+ 1101 47 597 617 619 # CT1 C NH1
+ 1102 59 597 599 601 # CT1 CT2 HA
+ 1103 59 597 599 600 # CT1 CT2 HA
+ 1104 57 597 599 602 # CT1 CT2 CT2
+ 1105 16 597 595 593 # C NH1 CT1
+ 1106 78 599 602 604 # CT2 CT2 HA
+ 1107 78 599 602 603 # CT2 CT2 HA
+ 1108 77 599 602 605 # CT2 CT2 CT2
+ 1109 74 599 597 598 # CT2 CT1 HB
+ 1110 5 599 597 617 # C CT1 CT2
+ 1111 75 599 597 595 # CT2 CT1 NH1
+ 1112 100 600 599 601 # HA CT2 HA
+ 1113 78 602 605 607 # CT2 CT2 HA
+ 1114 78 602 605 606 # CT2 CT2 HA
+ 1115 79 602 605 608 # CT2 CT2 NC2
+ 1116 78 602 599 601 # CT2 CT2 HA
+ 1117 78 602 599 600 # CT2 CT2 HA
+ 1118 100 603 602 604 # HA CT2 HA
+ 1119 83 605 608 609 # CT2 NC2 HC
+ 1120 14 605 608 610 # C NC2 CT2
+ 1121 78 605 602 604 # CT2 CT2 HA
+ 1122 78 605 602 603 # CT2 CT2 HA
+ 1123 100 606 605 607 # HA CT2 HA
+ 1124 117 608 610 611 # NC2 C NC2
+ 1125 117 608 610 614 # NC2 C NC2
+ 1126 101 608 605 607 # HA CT2 NC2
+ 1127 101 608 605 606 # HA CT2 NC2
+ 1128 15 610 614 616 # C NC2 HC
+ 1129 15 610 614 615 # C NC2 HC
+ 1130 15 610 608 609 # C NC2 HC
+ 1131 15 612 611 610 # C NC2 HC
+ 1132 113 612 611 613 # HC NC2 HC
+ 1133 15 613 611 610 # C NC2 HC
+ 1134 117 614 610 611 # NC2 C NC2
+ 1135 113 615 614 616 # HC NC2 HC
+ 1136 7 617 597 598 # C CT1 HB
+ 1137 109 619 621 622 # HB CT1 NH1
+ 1138 8 619 621 627 # C CT1 NH1
+ 1139 118 619 617 618 # NH1 C O
+ 1140 18 620 619 617 # C NH1 H
+ 1141 63 620 619 621 # CT1 NH1 H
+ 1142 48 621 627 628 # CT1 C O
+ 1143 47 621 627 629 # CT1 C NH1
+ 1144 62 621 623 626 # CT1 CT3 HA
+ 1145 62 621 623 625 # CT1 CT3 HA
+ 1146 62 621 623 624 # CT1 CT3 HA
+ 1147 16 621 619 617 # C NH1 CT1
+ 1148 91 623 621 622 # CT3 CT1 HB
+ 1149 6 623 621 627 # C CT1 CT3
+ 1150 92 623 621 619 # CT3 CT1 NH1
+ 1151 106 624 623 626 # HA CT3 HA
+ 1152 106 624 623 625 # HA CT3 HA
+ 1153 106 625 623 626 # HA CT3 HA
+ 1154 7 627 621 622 # C CT1 HB
+ 1155 109 629 631 632 # HB CT1 NH1
+ 1156 8 629 631 649 # C CT1 NH1
+ 1157 118 629 627 628 # NH1 C O
+ 1158 18 630 629 627 # C NH1 H
+ 1159 63 630 629 631 # CT1 NH1 H
+ 1160 48 631 649 650 # CT1 C O
+ 1161 47 631 649 651 # CT1 C NH1
+ 1162 59 631 633 635 # CT1 CT2 HA
+ 1163 59 631 633 634 # CT1 CT2 HA
+ 1164 57 631 633 636 # CT1 CT2 CT2
+ 1165 16 631 629 627 # C NH1 CT1
+ 1166 78 633 636 638 # CT2 CT2 HA
+ 1167 78 633 636 637 # CT2 CT2 HA
+ 1168 77 633 636 639 # CT2 CT2 CT2
+ 1169 74 633 631 632 # CT2 CT1 HB
+ 1170 5 633 631 649 # C CT1 CT2
+ 1171 75 633 631 629 # CT2 CT1 NH1
+ 1172 100 634 633 635 # HA CT2 HA
+ 1173 78 636 639 641 # CT2 CT2 HA
+ 1174 78 636 639 640 # CT2 CT2 HA
+ 1175 77 636 639 642 # CT2 CT2 CT2
+ 1176 78 636 633 635 # CT2 CT2 HA
+ 1177 78 636 633 634 # CT2 CT2 HA
+ 1178 100 637 636 638 # HA CT2 HA
+ 1179 78 639 642 644 # CT2 CT2 HA
+ 1180 78 639 642 643 # CT2 CT2 HA
+ 1181 80 639 642 645 # CT2 CT2 NH3
+ 1182 78 639 636 638 # CT2 CT2 HA
+ 1183 78 639 636 637 # CT2 CT2 HA
+ 1184 100 640 639 641 # HA CT2 HA
+ 1185 85 642 645 648 # CT2 NH3 HC
+ 1186 85 642 645 647 # CT2 NH3 HC
+ 1187 85 642 645 646 # CT2 NH3 HC
+ 1188 78 642 639 641 # CT2 CT2 HA
+ 1189 78 642 639 640 # CT2 CT2 HA
+ 1190 100 643 642 644 # HA CT2 HA
+ 1191 102 645 642 644 # HA CT2 NH3
+ 1192 102 645 642 643 # HA CT2 NH3
+ 1193 114 646 645 648 # HC NH3 HC
+ 1194 114 646 645 647 # HC NH3 HC
+ 1195 114 647 645 648 # HC NH3 HC
+ 1196 7 649 631 632 # C CT1 HB
+ 1197 109 651 653 654 # HB CT1 NH1
+ 1198 8 651 653 673 # C CT1 NH1
+ 1199 118 651 649 650 # NH1 C O
+ 1200 18 652 651 649 # C NH1 H
+ 1201 63 652 651 653 # CT1 NH1 H
+ 1202 48 653 673 674 # CT1 C O
+ 1203 47 653 673 675 # CT1 C NH1
+ 1204 59 653 655 657 # CT1 CT2 HA
+ 1205 59 653 655 656 # CT1 CT2 HA
+ 1206 57 653 655 658 # CT1 CT2 CT2
+ 1207 16 653 651 649 # C NH1 CT1
+ 1208 78 655 658 660 # CT2 CT2 HA
+ 1209 78 655 658 659 # CT2 CT2 HA
+ 1210 77 655 658 661 # CT2 CT2 CT2
+ 1211 74 655 653 654 # CT2 CT1 HB
+ 1212 5 655 653 673 # C CT1 CT2
+ 1213 75 655 653 651 # CT2 CT1 NH1
+ 1214 100 656 655 657 # HA CT2 HA
+ 1215 78 658 661 663 # CT2 CT2 HA
+ 1216 78 658 661 662 # CT2 CT2 HA
+ 1217 79 658 661 664 # CT2 CT2 NC2
+ 1218 78 658 655 657 # CT2 CT2 HA
+ 1219 78 658 655 656 # CT2 CT2 HA
+ 1220 100 659 658 660 # HA CT2 HA
+ 1221 83 661 664 665 # CT2 NC2 HC
+ 1222 14 661 664 666 # C NC2 CT2
+ 1223 78 661 658 660 # CT2 CT2 HA
+ 1224 78 661 658 659 # CT2 CT2 HA
+ 1225 100 662 661 663 # HA CT2 HA
+ 1226 117 664 666 667 # NC2 C NC2
+ 1227 117 664 666 670 # NC2 C NC2
+ 1228 101 664 661 663 # HA CT2 NC2
+ 1229 101 664 661 662 # HA CT2 NC2
+ 1230 15 666 670 672 # C NC2 HC
+ 1231 15 666 670 671 # C NC2 HC
+ 1232 15 666 664 665 # C NC2 HC
+ 1233 15 668 667 666 # C NC2 HC
+ 1234 113 668 667 669 # HC NC2 HC
+ 1235 15 669 667 666 # C NC2 HC
+ 1236 117 670 666 667 # NC2 C NC2
+ 1237 113 671 670 672 # HC NC2 HC
+ 1238 7 673 653 654 # C CT1 HB
+ 1239 109 675 677 678 # HB CT1 NH1
+ 1240 8 675 677 687 # C CT1 NH1
+ 1241 118 675 673 674 # NH1 C O
+ 1242 18 676 675 673 # C NH1 H
+ 1243 63 676 675 677 # CT1 NH1 H
+ 1244 48 677 687 688 # CT1 C O
+ 1245 47 677 687 689 # CT1 C NH1
+ 1246 59 677 679 681 # CT1 CT2 HA
+ 1247 59 677 679 680 # CT1 CT2 HA
+ 1248 29 677 679 682 # CC CT2 CT1
+ 1249 16 677 675 673 # C NH1 CT1
+ 1250 70 679 682 683 # CT2 CC O
+ 1251 69 679 682 684 # CT2 CC NH2
+ 1252 74 679 677 678 # CT2 CT1 HB
+ 1253 5 679 677 687 # C CT1 CT2
+ 1254 75 679 677 675 # CT2 CT1 NH1
+ 1255 100 680 679 681 # HA CT2 HA
+ 1256 32 682 684 686 # CC NH2 H
+ 1257 32 682 684 685 # CC NH2 H
+ 1258 31 682 679 681 # CC CT2 HA
+ 1259 31 682 679 680 # CC CT2 HA
+ 1260 119 684 682 683 # NH2 CC O
+ 1261 95 685 684 686 # H NH2 H
+ 1262 7 687 677 678 # C CT1 HB
+ 1263 109 689 691 692 # HB CT1 NH1
+ 1264 8 689 691 701 # C CT1 NH1
+ 1265 118 689 687 688 # NH1 C O
+ 1266 18 690 689 687 # C NH1 H
+ 1267 63 690 689 691 # CT1 NH1 H
+ 1268 48 691 701 702 # CT1 C O
+ 1269 47 691 701 703 # CT1 C NH1
+ 1270 59 691 693 695 # CT1 CT2 HA
+ 1271 59 691 693 694 # CT1 CT2 HA
+ 1272 29 691 693 696 # CC CT2 CT1
+ 1273 16 691 689 687 # C NH1 CT1
+ 1274 70 693 696 697 # CT2 CC O
+ 1275 69 693 696 698 # CT2 CC NH2
+ 1276 74 693 691 692 # CT2 CT1 HB
+ 1277 5 693 691 701 # C CT1 CT2
+ 1278 75 693 691 689 # CT2 CT1 NH1
+ 1279 100 694 693 695 # HA CT2 HA
+ 1280 32 696 698 700 # CC NH2 H
+ 1281 32 696 698 699 # CC NH2 H
+ 1282 31 696 693 695 # CC CT2 HA
+ 1283 31 696 693 694 # CC CT2 HA
+ 1284 119 698 696 697 # NH2 CC O
+ 1285 95 699 698 700 # H NH2 H
+ 1286 7 701 691 692 # C CT1 HB
+ 1287 109 703 705 706 # HB CT1 NH1
+ 1288 8 703 705 721 # C CT1 NH1
+ 1289 118 703 701 702 # NH1 C O
+ 1290 18 704 703 701 # C NH1 H
+ 1291 63 704 703 705 # CT1 NH1 H
+ 1292 48 705 721 722 # CT1 C O
+ 1293 47 705 721 723 # CT1 C NH1
+ 1294 59 705 707 709 # CT1 CT2 HA
+ 1295 59 705 707 708 # CT1 CT2 HA
+ 1296 23 705 707 710 # CA CT2 CT1
+ 1297 16 705 703 701 # C NH1 CT1
+ 1298 20 707 710 711 # CA CA CT2
+ 1299 20 707 710 717 # CA CA CT2
+ 1300 74 707 705 706 # CT2 CT1 HB
+ 1301 5 707 705 721 # C CT1 CT2
+ 1302 75 707 705 703 # CT2 CT1 NH1
+ 1303 100 708 707 709 # HA CT2 HA
+ 1304 19 710 717 719 # CA CA CA
+ 1305 21 710 717 718 # CA CA HP
+ 1306 24 710 707 709 # CA CT2 HA
+ 1307 24 710 707 708 # CA CT2 HA
+ 1308 19 711 713 715 # CA CA CA
+ 1309 21 711 713 714 # CA CA HP
+ 1310 21 712 711 710 # CA CA HP
+ 1311 21 713 715 716 # CA CA HP
+ 1312 19 713 711 710 # CA CA CA
+ 1313 21 713 711 712 # CA CA HP
+ 1314 21 714 713 715 # CA CA HP
+ 1315 21 715 719 720 # CA CA HP
+ 1316 19 715 719 717 # CA CA CA
+ 1317 21 717 719 720 # CA CA HP
+ 1318 19 717 710 711 # CA CA CA
+ 1319 21 718 717 719 # CA CA HP
+ 1320 21 719 715 716 # CA CA HP
+ 1321 19 719 715 713 # CA CA CA
+ 1322 7 721 705 706 # C CT1 HB
+ 1323 109 723 725 726 # HB CT1 NH1
+ 1324 8 723 725 743 # C CT1 NH1
+ 1325 118 723 721 722 # NH1 C O
+ 1326 18 724 723 721 # C NH1 H
+ 1327 63 724 723 725 # CT1 NH1 H
+ 1328 48 725 743 744 # CT1 C O
+ 1329 47 725 743 745 # CT1 C NH1
+ 1330 59 725 727 729 # CT1 CT2 HA
+ 1331 59 725 727 728 # CT1 CT2 HA
+ 1332 57 725 727 730 # CT1 CT2 CT2
+ 1333 16 725 723 721 # C NH1 CT1
+ 1334 78 727 730 732 # CT2 CT2 HA
+ 1335 78 727 730 731 # CT2 CT2 HA
+ 1336 77 727 730 733 # CT2 CT2 CT2
+ 1337 74 727 725 726 # CT2 CT1 HB
+ 1338 5 727 725 743 # C CT1 CT2
+ 1339 75 727 725 723 # CT2 CT1 NH1
+ 1340 100 728 727 729 # HA CT2 HA
+ 1341 78 730 733 735 # CT2 CT2 HA
+ 1342 78 730 733 734 # CT2 CT2 HA
+ 1343 77 730 733 736 # CT2 CT2 CT2
+ 1344 78 730 727 729 # CT2 CT2 HA
+ 1345 78 730 727 728 # CT2 CT2 HA
+ 1346 100 731 730 732 # HA CT2 HA
+ 1347 78 733 736 738 # CT2 CT2 HA
+ 1348 78 733 736 737 # CT2 CT2 HA
+ 1349 80 733 736 739 # CT2 CT2 NH3
+ 1350 78 733 730 732 # CT2 CT2 HA
+ 1351 78 733 730 731 # CT2 CT2 HA
+ 1352 100 734 733 735 # HA CT2 HA
+ 1353 85 736 739 742 # CT2 NH3 HC
+ 1354 85 736 739 741 # CT2 NH3 HC
+ 1355 85 736 739 740 # CT2 NH3 HC
+ 1356 78 736 733 735 # CT2 CT2 HA
+ 1357 78 736 733 734 # CT2 CT2 HA
+ 1358 100 737 736 738 # HA CT2 HA
+ 1359 102 739 736 738 # HA CT2 NH3
+ 1360 102 739 736 737 # HA CT2 NH3
+ 1361 114 740 739 742 # HC NH3 HC
+ 1362 114 740 739 741 # HC NH3 HC
+ 1363 114 741 739 742 # HC NH3 HC
+ 1364 7 743 725 726 # C CT1 HB
+ 1365 109 745 747 748 # HB CT1 NH1
+ 1366 8 745 747 754 # C CT1 NH1
+ 1367 118 745 743 744 # NH1 C O
+ 1368 18 746 745 743 # C NH1 H
+ 1369 63 746 745 747 # CT1 NH1 H
+ 1370 48 747 754 755 # CT1 C O
+ 1371 47 747 754 756 # CT1 C NH1
+ 1372 59 747 749 751 # CT1 CT2 HA
+ 1373 59 747 749 750 # CT1 CT2 HA
+ 1374 60 747 749 752 # CT1 CT2 OH1
+ 1375 16 747 745 743 # C NH1 CT1
+ 1376 86 749 752 753 # CT2 OH1 H
+ 1377 74 749 747 748 # CT2 CT1 HB
+ 1378 5 749 747 754 # C CT1 CT2
+ 1379 75 749 747 745 # CT2 CT1 NH1
+ 1380 100 750 749 751 # HA CT2 HA
+ 1381 103 752 749 751 # HA CT2 OH1
+ 1382 103 752 749 750 # HA CT2 OH1
+ 1383 7 754 747 748 # C CT1 HB
+ 1384 109 756 758 759 # HB CT1 NH1
+ 1385 8 756 758 764 # C CT1 NH1
+ 1386 118 756 754 755 # NH1 C O
+ 1387 18 757 756 754 # C NH1 H
+ 1388 63 757 756 758 # CT1 NH1 H
+ 1389 48 758 764 765 # CT1 C O
+ 1390 47 758 764 766 # CT1 C NH1
+ 1391 62 758 760 763 # CT1 CT3 HA
+ 1392 62 758 760 762 # CT1 CT3 HA
+ 1393 62 758 760 761 # CT1 CT3 HA
+ 1394 16 758 756 754 # C NH1 CT1
+ 1395 91 760 758 759 # CT3 CT1 HB
+ 1396 6 760 758 764 # C CT1 CT3
+ 1397 92 760 758 756 # CT3 CT1 NH1
+ 1398 106 761 760 763 # HA CT3 HA
+ 1399 106 761 760 762 # HA CT3 HA
+ 1400 106 762 760 763 # HA CT3 HA
+ 1401 7 764 758 759 # C CT1 HB
+ 1402 109 766 768 769 # HB CT1 NH1
+ 1403 8 766 768 779 # C CT1 NH1
+ 1404 118 766 764 765 # NH1 C O
+ 1405 18 767 766 764 # C NH1 H
+ 1406 63 767 766 768 # CT1 NH1 H
+ 1407 48 768 779 780 # CT1 C O
+ 1408 47 768 779 781 # CT1 C NH1
+ 1409 59 768 770 772 # CT1 CT2 HA
+ 1410 59 768 770 771 # CT1 CT2 HA
+ 1411 57 768 770 773 # CT1 CT2 CT2
+ 1412 16 768 766 764 # C NH1 CT1
+ 1413 78 770 773 775 # CT2 CT2 HA
+ 1414 78 770 773 774 # CT2 CT2 HA
+ 1415 30 770 773 776 # CC CT2 CT2
+ 1416 74 770 768 769 # CT2 CT1 HB
+ 1417 5 770 768 779 # C CT1 CT2
+ 1418 75 770 768 766 # CT2 CT1 NH1
+ 1419 100 771 770 772 # HA CT2 HA
+ 1420 71 773 776 777 # CT2 CC OC
+ 1421 71 773 776 778 # CT2 CC OC
+ 1422 78 773 770 772 # CT2 CT2 HA
+ 1423 78 773 770 771 # CT2 CT2 HA
+ 1424 100 774 773 775 # HA CT2 HA
+ 1425 31 776 773 775 # CC CT2 HA
+ 1426 31 776 773 774 # CC CT2 HA
+ 1427 120 778 776 777 # OC CC OC
+ 1428 7 779 768 769 # C CT1 HB
+ 1429 109 781 783 784 # HB CT1 NH1
+ 1430 8 781 783 791 # C CT1 NH1
+ 1431 118 781 779 780 # NH1 C O
+ 1432 18 782 781 779 # C NH1 H
+ 1433 63 782 781 783 # CT1 NH1 H
+ 1434 48 783 791 792 # CT1 C O
+ 1435 47 783 791 793 # CT1 C NH1
+ 1436 59 783 785 787 # CT1 CT2 HA
+ 1437 59 783 785 786 # CT1 CT2 HA
+ 1438 29 783 785 788 # CC CT2 CT1
+ 1439 16 783 781 779 # C NH1 CT1
+ 1440 71 785 788 789 # CT2 CC OC
+ 1441 71 785 788 790 # CT2 CC OC
+ 1442 74 785 783 784 # CT2 CT1 HB
+ 1443 5 785 783 791 # C CT1 CT2
+ 1444 75 785 783 781 # CT2 CT1 NH1
+ 1445 100 786 785 787 # HA CT2 HA
+ 1446 31 788 785 787 # CC CT2 HA
+ 1447 31 788 785 786 # CC CT2 HA
+ 1448 120 790 788 789 # OC CC OC
+ 1449 7 791 783 784 # C CT1 HB
+ 1450 109 793 795 796 # HB CT1 NH1
+ 1451 8 793 795 801 # C CT1 NH1
+ 1452 118 793 791 792 # NH1 C O
+ 1453 18 794 793 791 # C NH1 H
+ 1454 63 794 793 795 # CT1 NH1 H
+ 1455 48 795 801 802 # CT1 C O
+ 1456 47 795 801 803 # CT1 C NH1
+ 1457 59 795 797 799 # CT1 CT2 HA
+ 1458 59 795 797 798 # CT1 CT2 HA
+ 1459 61 795 797 800 # CT1 CT2 SM
+ 1460 16 795 793 791 # C NH1 CT1
+ 1461 74 797 795 796 # CT2 CT1 HB
+ 1462 5 797 795 801 # C CT1 CT2
+ 1463 75 797 795 793 # CT2 CT1 NH1
+ 1464 100 798 797 799 # HA CT2 HA
+ 1465 105 800 797 799 # HA CT2 SM
+ 1466 105 800 797 798 # HA CT2 SM
+ 1467 7 801 795 796 # C CT1 HB
+ 1468 109 803 805 806 # HB CT1 NH1
+ 1469 8 803 805 818 # C CT1 NH1
+ 1470 118 803 801 802 # NH1 C O
+ 1471 18 804 803 801 # C NH1 H
+ 1472 63 804 803 805 # CT1 NH1 H
+ 1473 48 805 818 819 # CT1 C O
+ 1474 47 805 818 820 # CT1 C NH1
+ 1475 59 805 807 809 # CT1 CT2 HA
+ 1476 59 805 807 808 # CT1 CT2 HA
+ 1477 57 805 807 810 # CT1 CT2 CT2
+ 1478 16 805 803 801 # C NH1 CT1
+ 1479 78 807 810 812 # CT2 CT2 HA
+ 1480 78 807 810 811 # CT2 CT2 HA
+ 1481 81 807 810 813 # CT2 CT2 S
+ 1482 74 807 805 806 # CT2 CT1 HB
+ 1483 5 807 805 818 # C CT1 CT2
+ 1484 75 807 805 803 # CT2 CT1 NH1
+ 1485 100 808 807 809 # HA CT2 HA
+ 1486 87 810 813 814 # CT2 S CT3
+ 1487 78 810 807 809 # CT2 CT2 HA
+ 1488 78 810 807 808 # CT2 CT2 HA
+ 1489 100 811 810 812 # HA CT2 HA
+ 1490 107 813 814 817 # HA CT3 S
+ 1491 107 813 814 816 # HA CT3 S
+ 1492 107 813 814 815 # HA CT3 S
+ 1493 104 813 810 812 # HA CT2 S
+ 1494 104 813 810 811 # HA CT2 S
+ 1495 106 815 814 817 # HA CT3 HA
+ 1496 106 815 814 816 # HA CT3 HA
+ 1497 106 816 814 817 # HA CT3 HA
+ 1498 7 818 805 806 # C CT1 HB
+ 1499 109 820 822 823 # HB CT1 NH1
+ 1500 8 820 822 842 # C CT1 NH1
+ 1501 118 820 818 819 # NH1 C O
+ 1502 18 821 820 818 # C NH1 H
+ 1503 63 821 820 822 # CT1 NH1 H
+ 1504 48 822 842 843 # CT1 C O
+ 1505 47 822 842 844 # CT1 C NH1
+ 1506 59 822 824 826 # CT1 CT2 HA
+ 1507 59 822 824 825 # CT1 CT2 HA
+ 1508 57 822 824 827 # CT1 CT2 CT2
+ 1509 16 822 820 818 # C NH1 CT1
+ 1510 78 824 827 829 # CT2 CT2 HA
+ 1511 78 824 827 828 # CT2 CT2 HA
+ 1512 77 824 827 830 # CT2 CT2 CT2
+ 1513 74 824 822 823 # CT2 CT1 HB
+ 1514 5 824 822 842 # C CT1 CT2
+ 1515 75 824 822 820 # CT2 CT1 NH1
+ 1516 100 825 824 826 # HA CT2 HA
+ 1517 78 827 830 832 # CT2 CT2 HA
+ 1518 78 827 830 831 # CT2 CT2 HA
+ 1519 79 827 830 833 # CT2 CT2 NC2
+ 1520 78 827 824 826 # CT2 CT2 HA
+ 1521 78 827 824 825 # CT2 CT2 HA
+ 1522 100 828 827 829 # HA CT2 HA
+ 1523 83 830 833 834 # CT2 NC2 HC
+ 1524 14 830 833 835 # C NC2 CT2
+ 1525 78 830 827 829 # CT2 CT2 HA
+ 1526 78 830 827 828 # CT2 CT2 HA
+ 1527 100 831 830 832 # HA CT2 HA
+ 1528 117 833 835 836 # NC2 C NC2
+ 1529 117 833 835 839 # NC2 C NC2
+ 1530 101 833 830 832 # HA CT2 NC2
+ 1531 101 833 830 831 # HA CT2 NC2
+ 1532 15 835 839 841 # C NC2 HC
+ 1533 15 835 839 840 # C NC2 HC
+ 1534 15 835 833 834 # C NC2 HC
+ 1535 15 837 836 835 # C NC2 HC
+ 1536 113 837 836 838 # HC NC2 HC
+ 1537 15 838 836 835 # C NC2 HC
+ 1538 117 839 835 836 # NC2 C NC2
+ 1539 113 840 839 841 # HC NC2 HC
+ 1540 7 842 822 823 # C CT1 HB
+ 1541 109 844 846 847 # HB CT1 NH1
+ 1542 8 844 846 856 # C CT1 NH1
+ 1543 118 844 842 843 # NH1 C O
+ 1544 18 845 844 842 # C NH1 H
+ 1545 63 845 844 846 # CT1 NH1 H
+ 1546 48 846 856 857 # CT1 C O
+ 1547 47 846 856 858 # CT1 C NH1
+ 1548 52 846 848 849 # CT1 CT1 HA
+ 1549 51 846 848 852 # CT1 CT1 CT3
+ 1550 55 846 848 850 # CT1 CT1 OH1
+ 1551 16 846 844 842 # C NH1 CT1
+ 1552 62 848 852 855 # CT1 CT3 HA
+ 1553 62 848 852 854 # CT1 CT3 HA
+ 1554 62 848 852 853 # CT1 CT3 HA
+ 1555 65 848 850 851 # CT1 OH1 H
+ 1556 53 848 846 847 # CT1 CT1 HB
+ 1557 4 848 846 856 # C CT1 CT1
+ 1558 54 848 846 844 # CT1 CT1 NH1
+ 1559 99 850 848 849 # HA CT1 OH1
+ 1560 93 850 848 852 # CT3 CT1 OH1
+ 1561 90 852 848 849 # CT3 CT1 HA
+ 1562 106 853 852 855 # HA CT3 HA
+ 1563 106 853 852 854 # HA CT3 HA
+ 1564 106 854 852 855 # HA CT3 HA
+ 1565 7 856 846 847 # C CT1 HB
+ 1566 109 858 860 861 # HB CT1 NH1
+ 1567 8 858 860 866 # C CT1 NH1
+ 1568 118 858 856 857 # NH1 C O
+ 1569 18 859 858 856 # C NH1 H
+ 1570 63 859 858 860 # CT1 NH1 H
+ 1571 48 860 866 867 # CT1 C O
+ 1572 47 860 866 868 # CT1 C NH1
+ 1573 59 860 862 864 # CT1 CT2 HA
+ 1574 59 860 862 863 # CT1 CT2 HA
+ 1575 61 860 862 865 # CT1 CT2 SM
+ 1576 16 860 858 856 # C NH1 CT1
+ 1577 74 862 860 861 # CT2 CT1 HB
+ 1578 5 862 860 866 # C CT1 CT2
+ 1579 75 862 860 858 # CT2 CT1 NH1
+ 1580 100 863 862 864 # HA CT2 HA
+ 1581 105 865 862 864 # HA CT2 SM
+ 1582 105 865 862 863 # HA CT2 SM
+ 1583 7 866 860 861 # C CT1 HB
+ 1584 112 868 870 872 # HB CT2 NH1
+ 1585 112 868 870 871 # HB CT2 NH1
+ 1586 11 868 870 873 # C CT2 NH1
+ 1587 118 868 866 867 # NH1 C O
+ 1588 18 869 868 866 # C NH1 H
+ 1589 84 869 868 870 # CT2 NH1 H
+ 1590 68 870 873 874 # CT2 C O
+ 1591 67 870 873 875 # CT2 C NH1
+ 1592 17 870 868 866 # C NH1 CT2
+ 1593 111 871 870 872 # HB CT2 HB
+ 1594 10 873 870 872 # C CT2 HB
+ 1595 10 873 870 871 # C CT2 HB
+ 1596 112 875 877 879 # HB CT2 NH1
+ 1597 112 875 877 878 # HB CT2 NH1
+ 1598 11 875 877 880 # C CT2 NH1
+ 1599 118 875 873 874 # NH1 C O
+ 1600 18 876 875 873 # C NH1 H
+ 1601 84 876 875 877 # CT2 NH1 H
+ 1602 68 877 880 881 # CT2 C O
+ 1603 67 877 880 882 # CT2 C NH1
+ 1604 17 877 875 873 # C NH1 CT2
+ 1605 111 878 877 879 # HB CT2 HB
+ 1606 10 880 877 879 # C CT2 HB
+ 1607 10 880 877 878 # C CT2 HB
+ 1608 109 882 884 885 # HB CT1 NH1
+ 1609 28 882 884 890 # CC CT1 NH1
+ 1610 118 882 880 881 # NH1 C O
+ 1611 18 883 882 880 # C NH1 H
+ 1612 63 883 882 884 # CT1 NH1 H
+ 1613 62 884 886 889 # CT1 CT3 HA
+ 1614 62 884 886 888 # CT1 CT3 HA
+ 1615 62 884 886 887 # CT1 CT3 HA
+ 1616 16 884 882 880 # C NH1 CT1
+ 1617 91 886 884 885 # CT3 CT1 HB
+ 1618 26 886 884 890 # CC CT1 CT3
+ 1619 92 886 884 882 # CT3 CT1 NH1
+ 1620 106 887 886 889 # HA CT3 HA
+ 1621 106 887 886 888 # HA CT3 HA
+ 1622 106 888 886 889 # HA CT3 HA
+ 1623 27 890 884 885 # CC CT1 HB
+ 1624 49 891 890 884 # CT1 CC OC
+ 1625 49 892 890 884 # CT1 CC OC
+ 1626 120 892 890 891 # OC CC OC
+
+Dihedral Coeffs
+
+1 0.14 3 0 0 # C CP1 CP2 CP2
+2 0.14 3 0 0 # C CP1 CP2 HA
+3 0.8 3 0 0 # C CP1 N C
+4 0.1 3 0 0 # C CP1 N CP3
+5 0.2 3 0 0 # C CT1 CT1 CT2
+6 0.2 3 0 0 # C CT1 CT1 CT3
+7 0.2 3 0 0 # C CT1 CT1 HA
+8 0.2 3 0 0 # C CT1 CT1 OH1
+9 0.04 3 0 0 # C CT1 CT2 CA
+10 0.2 3 0 0 # C CT1 CT2 CC
+11 0.2 3 0 0 # C CT1 CT2 CT1
+12 0.2 3 0 0 # C CT1 CT2 CT2
+13 0.2 3 0 0 # C CT1 CT2 HA
+14 0.2 3 0 0 # C CT1 CT2 OH1
+15 0.2 3 0 0 # C CT1 CT2 SM
+16 0.2 3 0 0 # C CT1 CT3 HA
+17 0.2 1 180 0 # C CT1 NH1 C
+18 0 1 0 0 # C CT1 NH1 H
+19 0.1 3 0 0 # C CT1 NH3 HC
+20 0.2 1 180 0 # C CT2 NH1 C
+21 0 1 0 0 # C CT2 NH1 H
+22 0.8 3 0 0 # C N CP1 CP2
+23 0.8 3 0 0 # C N CP1 HB
+24 0 3 180 0 # C N CP3 CP2
+25 0 3 180 0 # C N CP3 HA
+26 0 6 180 0 # C NC2 CT2 CT2
+27 0 6 180 0 # C NC2 CT2 HA
+28 0.2 1 180 0 # C NH1 CT1 CC
+29 1.8 1 0 0 # C NH1 CT1 CT1
+30 1.8 1 0 0 # C NH1 CT1 CT2
+31 1.8 1 0 0 # C NH1 CT1 CT3
+32 0 1 0 0 # C NH1 CT1 HB
+33 0 1 0 0 # C NH1 CT2 HB
+34 3.1 2 180 0 # CA CA CA CA
+35 3.1 2 180 0 # CA CA CA CT2
+36 4.2 2 180 0 # CA CA CA HP
+37 3.1 2 180 0 # CA CA CA OH1
+38 0.23 2 180 0 # CA CA CT2 CT1
+39 0 6 0 0 # CA CA CT2 HA
+40 0.99 2 180 0 # CA CA OH1 H
+41 0.2 3 0 0 # CA CT2 CT1 HB
+42 0.2 3 0 0 # CA CT2 CT1 NH1
+43 0.2 3 0 0 # CC CT1 CT3 HA
+44 0 1 0 0 # CC CT1 NH1 H
+45 0.2 3 0 0 # CC CT2 CT1 HB
+46 0.2 3 0 0 # CC CT2 CT1 NH1
+47 0.195 3 0 0 # CC CT2 CT2 CT1
+48 0.195 3 0 0 # CC CT2 CT2 HA
+49 2.75 2 180 0 # CP1 C N CP1
+50 0.3 4 0 0 # CP1 C N CP1
+51 2.75 2 180 0 # CP1 C N CP3
+52 0.3 4 0 0 # CP1 C N CP3
+53 1.6 1 0 0 # CP1 C NH1 CT1
+54 2.5 2 180 0 # CP1 C NH1 CT1
+55 2.5 2 180 0 # CP1 C NH1 H
+56 0.16 3 0 0 # CP1 CP2 CP2 CP3
+57 0.16 3 0 0 # CP1 CP2 CP2 HA
+58 2.75 2 180 0 # CP1 N C CT1
+59 0.3 4 0 0 # CP1 N C CT1
+60 2.75 2 180 0 # CP1 N C CT2
+61 0.3 4 0 0 # CP1 N C CT2
+62 2.75 2 180 0 # CP1 N C O
+63 0.3 4 0 0 # CP1 N C O
+64 0.1 3 0 0 # CP1 N CP3 CP2
+65 0.1 3 0 0 # CP1 N CP3 HA
+66 0.4 1 0 0 # CP2 CP1 C N
+67 0.6 2 0 0 # CP2 CP1 C N
+68 0.4 1 0 0 # CP2 CP1 C NH1
+69 0.6 2 0 0 # CP2 CP1 C NH1
+70 0.4 1 180 0 # CP2 CP1 C O
+71 0.6 2 0 0 # CP2 CP1 C O
+72 0.1 3 0 0 # CP2 CP1 N CP3
+73 0.14 3 0 0 # CP2 CP2 CP1 HB
+74 0.14 3 0 0 # CP2 CP2 CP1 N
+75 0.14 3 0 0 # CP2 CP2 CP3 HA
+76 0.14 3 0 0 # CP2 CP2 CP3 N
+77 0.16 3 0 0 # CP3 CP2 CP2 HA
+78 2.75 2 180 0 # CP3 N C CT1
+79 0.3 4 0 0 # CP3 N C CT1
+80 2.75 2 180 0 # CP3 N C CT2
+81 0.3 4 0 0 # CP3 N C CT2
+82 2.75 2 180 0 # CP3 N C O
+83 0.3 4 0 0 # CP3 N C O
+84 0.1 3 0 0 # CP3 N CP1 HB
+85 1.6 1 0 0 # CT1 C NH1 CT1
+86 2.5 2 180 0 # CT1 C NH1 CT1
+87 1.6 1 0 0 # CT1 C NH1 CT2
+88 2.5 2 180 0 # CT1 C NH1 CT2
+89 2.5 2 180 0 # CT1 C NH1 H
+90 0 1 0 0 # CT1 CT1 C NH1
+91 1.4 1 0 0 # CT1 CT1 C O
+92 0.2 3 0 0 # CT1 CT1 CT2 CT3
+93 0.2 3 0 0 # CT1 CT1 CT2 HA
+94 0.2 3 0 0 # CT1 CT1 CT3 HA
+95 0 1 0 0 # CT1 CT1 NH1 H
+96 1.33 1 0 0 # CT1 CT1 OH1 H
+97 0.18 2 0 0 # CT1 CT1 OH1 H
+98 0.32 3 0 0 # CT1 CT1 OH1 H
+99 0.05 6 180 0 # CT1 CT2 CC NH2
+100 0.05 6 180 0 # CT1 CT2 CC O
+101 0.05 6 180 0 # CT1 CT2 CC OC
+102 0.2 3 0 0 # CT1 CT2 CT1 CT3
+103 0.2 3 0 0 # CT1 CT2 CT1 HA
+104 0.2 3 0 0 # CT1 CT2 CT1 HB
+105 0.2 3 0 0 # CT1 CT2 CT1 NH1
+106 0.195 3 0 0 # CT1 CT2 CT2 CT2
+107 0.195 3 0 0 # CT1 CT2 CT2 HA
+108 0.195 3 0 0 # CT1 CT2 CT2 S
+109 0.16 3 0 0 # CT1 CT2 CT3 HA
+110 1.3 1 0 0 # CT1 CT2 OH1 H
+111 0.3 2 0 0 # CT1 CT2 OH1 H
+112 0.42 3 0 0 # CT1 CT2 OH1 H
+113 0.31 3 0 0 # CT1 CT2 SM SM
+114 1.6 1 0 0 # CT1 NH1 C CT2
+115 2.5 2 180 0 # CT1 NH1 C CT2
+116 2.5 2 180 0 # CT1 NH1 C O
+117 1.6 1 0 0 # CT2 C NH1 CT2
+118 2.5 2 180 0 # CT2 C NH1 CT2
+119 2.5 2 180 0 # CT2 C NH1 H
+120 4.2 2 180 0 # CT2 CA CA HP
+121 1.4 2 180 0 # CT2 CC NH2 H
+122 0 1 0 0 # CT2 CT1 C N
+123 0 1 0 0 # CT2 CT1 C NH1
+124 1.4 1 0 0 # CT2 CT1 C O
+125 0.2 3 0 0 # CT2 CT1 CT1 HB
+126 0.2 3 0 0 # CT2 CT1 CT1 NH1
+127 0.2 3 0 0 # CT2 CT1 CT3 HA
+128 0 1 0 0 # CT2 CT1 NH1 H
+129 0.1 3 0 0 # CT2 CT1 NH3 HC
+130 0.05 6 180 0 # CT2 CT2 CC NH2
+131 0.05 6 180 0 # CT2 CT2 CC O
+132 0.05 6 180 0 # CT2 CT2 CC OC
+133 0.2 3 0 0 # CT2 CT2 CT1 HB
+134 0.2 3 0 0 # CT2 CT2 CT1 NH1
+135 0.2 3 0 0 # CT2 CT2 CT1 NH3
+136 0.15 1 0 0 # CT2 CT2 CT2 CT2
+137 0.195 3 0 0 # CT2 CT2 CT2 HA
+138 0.195 3 0 0 # CT2 CT2 CT2 NC2
+139 0.195 3 0 0 # CT2 CT2 CT2 NH3
+140 0 6 180 0 # CT2 CT2 NC2 HC
+141 0.1 3 0 0 # CT2 CT2 NH3 HC
+142 0.24 1 180 0 # CT2 CT2 S CT3
+143 0.37 3 0 0 # CT2 CT2 S CT3
+144 2.25 2 180 0 # CT2 NC2 C NC2
+145 2.5 2 180 0 # CT2 NH1 C O
+146 0.28 3 0 0 # CT2 S CT3 HA
+147 1 1 0 0 # CT2 SM SM CT2
+148 4.1 2 0 0 # CT2 SM SM CT2
+149 0.9 3 0 0 # CT2 SM SM CT2
+150 0 1 0 0 # CT3 CT1 C NH1
+151 1.4 1 0 0 # CT3 CT1 C O
+152 0.05 6 180 0 # CT3 CT1 CC OC
+153 0.2 3 0 0 # CT3 CT1 CT1 HB
+154 0.2 3 0 0 # CT3 CT1 CT1 NH1
+155 0.2 3 0 0 # CT3 CT1 CT2 CT3
+156 0.2 3 0 0 # CT3 CT1 CT2 HA
+157 0.2 3 0 0 # CT3 CT1 CT3 HA
+158 0 1 0 0 # CT3 CT1 NH1 H
+159 1.33 1 0 0 # CT3 CT1 OH1 H
+160 0.18 2 0 0 # CT3 CT1 OH1 H
+161 0.32 3 0 0 # CT3 CT1 OH1 H
+162 0.2 3 0 0 # CT3 CT2 CT1 HA
+163 0.28 3 0 0 # CT3 S CT2 HA
+164 2.5 2 180 0 # H NH1 C O
+165 0 1 0 0 # H NH1 CT1 HB
+166 0 1 0 0 # H NH1 CT2 HB
+167 1.4 2 180 0 # H NH2 CC O
+168 0.14 3 0 0 # H OH1 CT1 HA
+169 0.14 3 0 0 # H OH1 CT2 HA
+170 0.14 3 0 0 # HA CP2 CP1 HB
+171 0.14 3 0 0 # HA CP2 CP1 N
+172 0.16 3 0 0 # HA CP2 CP2 HA
+173 0.14 3 0 0 # HA CP2 CP3 HA
+174 0.14 3 0 0 # HA CP2 CP3 N
+175 0.2 3 0 0 # HA CT1 CT1 HB
+176 0.2 3 0 0 # HA CT1 CT1 NH1
+177 0.2 3 0 0 # HA CT1 CT2 HA
+178 0.2 3 0 0 # HA CT1 CT3 HA
+179 0 3 180 0 # HA CT2 CC NH2
+180 0 3 180 0 # HA CT2 CC O
+181 0.05 6 180 0 # HA CT2 CC OC
+182 0.2 3 0 0 # HA CT2 CT1 HB
+183 0.2 3 0 0 # HA CT2 CT1 NH1
+184 0.2 3 0 0 # HA CT2 CT1 NH3
+185 0.195 3 0 0 # HA CT2 CT2 HA
+186 0.195 3 0 0 # HA CT2 CT2 NC2
+187 0.195 3 0 0 # HA CT2 CT2 NH3
+188 0.01 3 0 0 # HA CT2 CT2 S
+189 0.16 3 0 0 # HA CT2 CT3 HA
+190 0 6 180 0 # HA CT2 NC2 HC
+191 0.1 3 0 0 # HA CT2 NH3 HC
+192 0.158 3 0 0 # HA CT2 SM SM
+193 0.2 3 0 0 # HA CT3 CT1 HB
+194 0.2 3 0 0 # HA CT3 CT1 NH1
+195 0.2 3 0 0 # HA CT3 CT1 OH1
+196 0.4 1 180 0 # HB CP1 C N
+197 0.6 2 0 0 # HB CP1 C N
+198 0.4 1 180 0 # HB CP1 C NH1
+199 0.6 2 0 0 # HB CP1 C NH1
+200 0.4 1 0 0 # HB CP1 C O
+201 0.6 2 0 0 # HB CP1 C O
+202 0 1 0 0 # HB CT1 C N
+203 0 1 0 0 # HB CT1 C NH1
+204 0 1 0 0 # HB CT1 C O
+205 0.05 6 180 0 # HB CT1 CC OC
+206 0.2 3 0 0 # HB CT1 CT1 OH1
+207 0.2 3 0 0 # HB CT1 CT2 OH1
+208 0.2 3 0 0 # HB CT1 CT2 SM
+209 0.1 3 0 0 # HB CT1 NH3 HC
+210 0 1 0 0 # HB CT2 C N
+211 0 1 0 0 # HB CT2 C NH1
+212 0 1 0 0 # HB CT2 C O
+213 2.25 2 180 0 # HC NC2 C NC2
+214 2.4 2 180 0 # HP CA CA HP
+215 4.2 2 180 0 # HP CA CA OH1
+216 0.3 1 0 0 # N C CP1 N
+217 -0.3 4 0 0 # N C CP1 N
+218 0.4 1 0 0 # N C CT1 NH1
+219 0.4 1 0 0 # N C CT1 NH3
+220 0.4 1 0 0 # N C CT2 NH1
+221 0.3 1 0 0 # N CP1 C NH1
+222 -0.3 4 0 0 # N CP1 C NH1
+223 -0.3 4 0 0 # N CP1 C O
+224 0.6 1 0 0 # NH1 C CT1 NH1
+225 0.6 1 0 0 # NH1 C CT2 NH1
+226 0 1 0 0 # NH1 CT1 C O
+227 0.05 6 180 0 # NH1 CT1 CC OC
+228 0.2 3 0 0 # NH1 CT1 CT1 OH1
+229 0.2 3 0 0 # NH1 CT1 CT2 OH1
+230 0.2 3 0 0 # NH1 CT1 CT2 SM
+231 0 1 0 0 # NH1 CT2 C O
+232 0 1 0 0 # NH3 CT1 C O
+
+Dihedrals
+
+ 1 135 1 5 7 10 # CT2 CT2 CT1 NH3
+ 2 184 1 5 7 8 # HA CT2 CT1 NH3
+ 3 184 1 5 7 9 # HA CT2 CT1 NH3
+ 4 219 1 5 25 27 # N C CT1 NH3
+ 5 232 1 5 25 26 # NH3 CT1 C O
+ 6 129 2 1 5 7 # CT2 CT1 NH3 HC
+ 7 19 2 1 5 25 # C CT1 NH3 HC
+ 8 209 2 1 5 6 # HB CT1 NH3 HC
+ 9 129 3 1 5 7 # CT2 CT1 NH3 HC
+ 10 19 3 1 5 25 # C CT1 NH3 HC
+ 11 209 3 1 5 6 # HB CT1 NH3 HC
+ 12 129 4 1 5 7 # CT2 CT1 NH3 HC
+ 13 19 4 1 5 25 # C CT1 NH3 HC
+ 14 209 4 1 5 6 # HB CT1 NH3 HC
+ 15 58 5 25 27 31 # CP1 N C CT1
+ 16 59 5 25 27 31 # CP1 N C CT1
+ 17 78 5 25 27 28 # CP3 N C CT1
+ 18 79 5 25 27 28 # CP3 N C CT1
+ 19 106 5 7 10 13 # CT1 CT2 CT2 CT2
+ 20 107 5 7 10 11 # CT1 CT2 CT2 HA
+ 21 107 5 7 10 12 # CT1 CT2 CT2 HA
+ 22 133 6 5 7 10 # CT2 CT2 CT1 HB
+ 23 182 6 5 7 8 # HA CT2 CT1 HB
+ 24 182 6 5 7 9 # HA CT2 CT1 HB
+ 25 202 6 5 25 27 # HB CT1 C N
+ 26 204 6 5 25 26 # HB CT1 C O
+ 27 138 7 10 13 16 # CT2 CT2 CT2 NC2
+ 28 137 7 10 13 14 # CT2 CT2 CT2 HA
+ 29 137 7 10 13 15 # CT2 CT2 CT2 HA
+ 30 122 7 5 25 27 # CT2 CT1 C N
+ 31 124 7 5 25 26 # CT2 CT1 C O
+ 32 13 8 7 5 25 # C CT1 CT2 HA
+ 33 137 8 7 10 13 # CT2 CT2 CT2 HA
+ 34 185 8 7 10 11 # HA CT2 CT2 HA
+ 35 185 8 7 10 12 # HA CT2 CT2 HA
+ 36 13 9 7 5 25 # C CT1 CT2 HA
+ 37 137 9 7 10 13 # CT2 CT2 CT2 HA
+ 38 185 9 7 10 11 # HA CT2 CT2 HA
+ 39 185 9 7 10 12 # HA CT2 CT2 HA
+ 40 26 10 13 16 18 # C NC2 CT2 CT2
+ 41 140 10 13 16 17 # CT2 CT2 NC2 HC
+ 42 12 10 7 5 25 # C CT1 CT2 CT2
+ 43 186 11 10 13 16 # HA CT2 CT2 NC2
+ 44 185 11 10 13 14 # HA CT2 CT2 HA
+ 45 185 11 10 13 15 # HA CT2 CT2 HA
+ 46 186 12 10 13 16 # HA CT2 CT2 NC2
+ 47 185 12 10 13 14 # HA CT2 CT2 HA
+ 48 185 12 10 13 15 # HA CT2 CT2 HA
+ 49 144 13 16 18 22 # CT2 NC2 C NC2
+ 50 144 13 16 18 19 # CT2 NC2 C NC2
+ 51 27 14 13 16 18 # C NC2 CT2 HA
+ 52 190 14 13 16 17 # HA CT2 NC2 HC
+ 53 27 15 13 16 18 # C NC2 CT2 HA
+ 54 190 15 13 16 17 # HA CT2 NC2 HC
+ 55 213 16 18 22 23 # HC NC2 C NC2
+ 56 213 16 18 22 24 # HC NC2 C NC2
+ 57 213 16 18 19 20 # HC NC2 C NC2
+ 58 213 16 18 19 21 # HC NC2 C NC2
+ 59 213 17 16 18 22 # HC NC2 C NC2
+ 60 213 17 16 18 19 # HC NC2 C NC2
+ 61 213 19 18 22 23 # HC NC2 C NC2
+ 62 213 19 18 22 24 # HC NC2 C NC2
+ 63 213 20 19 18 22 # HC NC2 C NC2
+ 64 213 21 19 18 22 # HC NC2 C NC2
+ 65 3 25 27 31 39 # C CP1 N C
+ 66 22 25 27 31 33 # C N CP1 CP2
+ 67 23 25 27 31 32 # C N CP1 HB
+ 68 24 25 27 28 36 # C N CP3 CP2
+ 69 25 25 27 28 29 # C N CP3 HA
+ 70 25 25 27 28 30 # C N CP3 HA
+ 71 62 26 25 27 31 # CP1 N C O
+ 72 63 26 25 27 31 # CP1 N C O
+ 73 82 26 25 27 28 # CP3 N C O
+ 74 83 26 25 27 28 # CP3 N C O
+ 75 221 27 31 39 41 # N CP1 C NH1
+ 76 222 27 31 39 41 # N CP1 C NH1
+ 77 223 27 31 39 40 # N CP1 C O
+ 78 74 27 31 33 36 # CP2 CP2 CP1 N
+ 79 171 27 31 33 34 # HA CP2 CP1 N
+ 80 171 27 31 33 35 # HA CP2 CP1 N
+ 81 76 27 28 36 33 # CP2 CP2 CP3 N
+ 82 174 27 28 36 37 # HA CP2 CP3 N
+ 83 174 27 28 36 38 # HA CP2 CP3 N
+ 84 56 28 36 33 31 # CP1 CP2 CP2 CP3
+ 85 77 28 36 33 34 # CP3 CP2 CP2 HA
+ 86 77 28 36 33 35 # CP3 CP2 CP2 HA
+ 87 4 28 27 31 39 # C CP1 N CP3
+ 88 72 28 27 31 33 # CP2 CP1 N CP3
+ 89 84 28 27 31 32 # CP3 N CP1 HB
+ 90 75 29 28 36 33 # CP2 CP2 CP3 HA
+ 91 173 29 28 36 37 # HA CP2 CP3 HA
+ 92 173 29 28 36 38 # HA CP2 CP3 HA
+ 93 65 29 28 27 31 # CP1 N CP3 HA
+ 94 75 30 28 36 33 # CP2 CP2 CP3 HA
+ 95 173 30 28 36 37 # HA CP2 CP3 HA
+ 96 173 30 28 36 38 # HA CP2 CP3 HA
+ 97 65 30 28 27 31 # CP1 N CP3 HA
+ 98 55 31 39 41 42 # CP1 C NH1 H
+ 99 53 31 39 41 43 # CP1 C NH1 CT1
+ 100 54 31 39 41 43 # CP1 C NH1 CT1
+ 101 57 31 33 36 37 # CP1 CP2 CP2 HA
+ 102 57 31 33 36 38 # CP1 CP2 CP2 HA
+ 103 64 31 27 28 36 # CP1 N CP3 CP2
+ 104 198 32 31 39 41 # HB CP1 C NH1
+ 105 199 32 31 39 41 # HB CP1 C NH1
+ 106 200 32 31 39 40 # HB CP1 C O
+ 107 201 32 31 39 40 # HB CP1 C O
+ 108 73 32 31 33 36 # CP2 CP2 CP1 HB
+ 109 170 32 31 33 34 # HA CP2 CP1 HB
+ 110 170 32 31 33 35 # HA CP2 CP1 HB
+ 111 68 33 31 39 41 # CP2 CP1 C NH1
+ 112 69 33 31 39 41 # CP2 CP1 C NH1
+ 113 70 33 31 39 40 # CP2 CP1 C O
+ 114 71 33 31 39 40 # CP2 CP1 C O
+ 115 2 34 33 31 39 # C CP1 CP2 HA
+ 116 172 34 33 36 37 # HA CP2 CP2 HA
+ 117 172 34 33 36 38 # HA CP2 CP2 HA
+ 118 2 35 33 31 39 # C CP1 CP2 HA
+ 119 172 35 33 36 37 # HA CP2 CP2 HA
+ 120 172 35 33 36 38 # HA CP2 CP2 HA
+ 121 1 36 33 31 39 # C CP1 CP2 CP2
+ 122 30 39 41 43 45 # C NH1 CT1 CT2
+ 123 17 39 41 43 51 # C CT1 NH1 C
+ 124 32 39 41 43 44 # C NH1 CT1 HB
+ 125 164 40 39 41 42 # H NH1 C O
+ 126 116 40 39 41 43 # CT1 NH1 C O
+ 127 46 41 43 45 48 # CC CT2 CT1 NH1
+ 128 183 41 43 45 46 # HA CT2 CT1 NH1
+ 129 183 41 43 45 47 # HA CT2 CT1 NH1
+ 130 224 41 43 51 53 # NH1 C CT1 NH1
+ 131 226 41 43 51 52 # NH1 CT1 C O
+ 132 128 42 41 43 45 # CT2 CT1 NH1 H
+ 133 18 42 41 43 51 # C CT1 NH1 H
+ 134 165 42 41 43 44 # H NH1 CT1 HB
+ 135 89 43 51 53 54 # CT1 C NH1 H
+ 136 85 43 51 53 55 # CT1 C NH1 CT1
+ 137 86 43 51 53 55 # CT1 C NH1 CT1
+ 138 101 43 45 48 50 # CT1 CT2 CC OC
+ 139 101 43 45 48 49 # CT1 CT2 CC OC
+ 140 45 44 43 45 48 # CC CT2 CT1 HB
+ 141 182 44 43 45 46 # HA CT2 CT1 HB
+ 142 182 44 43 45 47 # HA CT2 CT1 HB
+ 143 203 44 43 51 53 # HB CT1 C NH1
+ 144 204 44 43 51 52 # HB CT1 C O
+ 145 123 45 43 51 53 # CT2 CT1 C NH1
+ 146 124 45 43 51 52 # CT2 CT1 C O
+ 147 13 46 45 43 51 # C CT1 CT2 HA
+ 148 181 46 45 48 50 # HA CT2 CC OC
+ 149 181 46 45 48 49 # HA CT2 CC OC
+ 150 13 47 45 43 51 # C CT1 CT2 HA
+ 151 181 47 45 48 50 # HA CT2 CC OC
+ 152 181 47 45 48 49 # HA CT2 CC OC
+ 153 10 48 45 43 51 # C CT1 CT2 CC
+ 154 30 51 53 55 57 # C NH1 CT1 CT2
+ 155 17 51 53 55 71 # C CT1 NH1 C
+ 156 32 51 53 55 56 # C NH1 CT1 HB
+ 157 164 52 51 53 54 # H NH1 C O
+ 158 116 52 51 53 55 # CT1 NH1 C O
+ 159 42 53 55 57 60 # CA CT2 CT1 NH1
+ 160 183 53 55 57 58 # HA CT2 CT1 NH1
+ 161 183 53 55 57 59 # HA CT2 CT1 NH1
+ 162 224 53 55 71 73 # NH1 C CT1 NH1
+ 163 226 53 55 71 72 # NH1 CT1 C O
+ 164 128 54 53 55 57 # CT2 CT1 NH1 H
+ 165 18 54 53 55 71 # C CT1 NH1 H
+ 166 165 54 53 55 56 # H NH1 CT1 HB
+ 167 89 55 71 73 74 # CT1 C NH1 H
+ 168 85 55 71 73 75 # CT1 C NH1 CT1
+ 169 86 55 71 73 75 # CT1 C NH1 CT1
+ 170 38 55 57 60 67 # CA CA CT2 CT1
+ 171 38 55 57 60 61 # CA CA CT2 CT1
+ 172 41 56 55 57 60 # CA CT2 CT1 HB
+ 173 182 56 55 57 58 # HA CT2 CT1 HB
+ 174 182 56 55 57 59 # HA CT2 CT1 HB
+ 175 203 56 55 71 73 # HB CT1 C NH1
+ 176 204 56 55 71 72 # HB CT1 C O
+ 177 120 57 60 67 68 # CT2 CA CA HP
+ 178 35 57 60 67 69 # CA CA CA CT2
+ 179 35 57 60 61 63 # CA CA CA CT2
+ 180 120 57 60 61 62 # CT2 CA CA HP
+ 181 123 57 55 71 73 # CT2 CT1 C NH1
+ 182 124 57 55 71 72 # CT2 CT1 C O
+ 183 13 58 57 55 71 # C CT1 CT2 HA
+ 184 39 58 57 60 67 # CA CA CT2 HA
+ 185 39 58 57 60 61 # CA CA CT2 HA
+ 186 13 59 57 55 71 # C CT1 CT2 HA
+ 187 39 59 57 60 67 # CA CA CT2 HA
+ 188 39 59 57 60 61 # CA CA CT2 HA
+ 189 34 60 67 69 65 # CA CA CA CA
+ 190 36 60 67 69 70 # CA CA CA HP
+ 191 36 60 61 63 64 # CA CA CA HP
+ 192 34 60 61 63 65 # CA CA CA CA
+ 193 9 60 57 55 71 # C CT1 CT2 CA
+ 194 34 61 63 65 69 # CA CA CA CA
+ 195 36 61 63 65 66 # CA CA CA HP
+ 196 36 61 60 67 68 # CA CA CA HP
+ 197 34 61 60 67 69 # CA CA CA CA
+ 198 214 62 61 63 64 # HP CA CA HP
+ 199 36 62 61 63 65 # CA CA CA HP
+ 200 36 62 61 60 67 # CA CA CA HP
+ 201 34 63 65 69 67 # CA CA CA CA
+ 202 36 63 65 69 70 # CA CA CA HP
+ 203 34 63 61 60 67 # CA CA CA CA
+ 204 36 64 63 65 69 # CA CA CA HP
+ 205 214 64 63 65 66 # HP CA CA HP
+ 206 36 65 69 67 68 # CA CA CA HP
+ 207 36 66 65 69 67 # CA CA CA HP
+ 208 214 66 65 69 70 # HP CA CA HP
+ 209 214 68 67 69 70 # HP CA CA HP
+ 210 30 71 73 75 77 # C NH1 CT1 CT2
+ 211 17 71 73 75 81 # C CT1 NH1 C
+ 212 32 71 73 75 76 # C NH1 CT1 HB
+ 213 164 72 71 73 74 # H NH1 C O
+ 214 116 72 71 73 75 # CT1 NH1 C O
+ 215 230 73 75 77 80 # NH1 CT1 CT2 SM
+ 216 183 73 75 77 78 # HA CT2 CT1 NH1
+ 217 183 73 75 77 79 # HA CT2 CT1 NH1
+ 218 224 73 75 81 83 # NH1 C CT1 NH1
+ 219 226 73 75 81 82 # NH1 CT1 C O
+ 220 128 74 73 75 77 # CT2 CT1 NH1 H
+ 221 18 74 73 75 81 # C CT1 NH1 H
+ 222 165 74 73 75 76 # H NH1 CT1 HB
+ 223 113 75 77 80 865 # CT1 CT2 SM SM
+ 224 89 75 81 83 84 # CT1 C NH1 H
+ 225 85 75 81 83 85 # CT1 C NH1 CT1
+ 226 86 75 81 83 85 # CT1 C NH1 CT1
+ 227 208 76 75 77 80 # HB CT1 CT2 SM
+ 228 182 76 75 77 78 # HA CT2 CT1 HB
+ 229 182 76 75 77 79 # HA CT2 CT1 HB
+ 230 203 76 75 81 83 # HB CT1 C NH1
+ 231 204 76 75 81 82 # HB CT1 C O
+ 232 147 77 80 865 862 # CT2 SM SM CT2
+ 233 148 77 80 865 862 # CT2 SM SM CT2
+ 234 149 77 80 865 862 # CT2 SM SM CT2
+ 235 123 77 75 81 83 # CT2 CT1 C NH1
+ 236 124 77 75 81 82 # CT2 CT1 C O
+ 237 192 78 77 80 865 # HA CT2 SM SM
+ 238 13 78 77 75 81 # C CT1 CT2 HA
+ 239 192 79 77 80 865 # HA CT2 SM SM
+ 240 13 79 77 75 81 # C CT1 CT2 HA
+ 241 113 80 865 862 860 # CT1 CT2 SM SM
+ 242 15 80 77 75 81 # C CT1 CT2 SM
+ 243 30 81 83 85 87 # C NH1 CT1 CT2
+ 244 17 81 83 85 100 # C CT1 NH1 C
+ 245 32 81 83 85 86 # C NH1 CT1 HB
+ 246 164 82 81 83 84 # H NH1 C O
+ 247 116 82 81 83 85 # CT1 NH1 C O
+ 248 105 83 85 87 90 # CT1 CT2 CT1 NH1
+ 249 183 83 85 87 88 # HA CT2 CT1 NH1
+ 250 183 83 85 87 89 # HA CT2 CT1 NH1
+ 251 224 83 85 100 102 # NH1 C CT1 NH1
+ 252 226 83 85 100 101 # NH1 CT1 C O
+ 253 128 84 83 85 87 # CT2 CT1 NH1 H
+ 254 18 84 83 85 100 # C CT1 NH1 H
+ 255 165 84 83 85 86 # H NH1 CT1 HB
+ 256 89 85 100 102 103 # CT1 C NH1 H
+ 257 85 85 100 102 104 # CT1 C NH1 CT1
+ 258 86 85 100 102 104 # CT1 C NH1 CT1
+ 259 102 85 87 90 92 # CT1 CT2 CT1 CT3
+ 260 102 85 87 90 96 # CT1 CT2 CT1 CT3
+ 261 103 85 87 90 91 # CT1 CT2 CT1 HA
+ 262 104 86 85 87 90 # CT1 CT2 CT1 HB
+ 263 182 86 85 87 88 # HA CT2 CT1 HB
+ 264 182 86 85 87 89 # HA CT2 CT1 HB
+ 265 203 86 85 100 102 # HB CT1 C NH1
+ 266 204 86 85 100 101 # HB CT1 C O
+ 267 127 87 90 92 93 # CT2 CT1 CT3 HA
+ 268 127 87 90 92 94 # CT2 CT1 CT3 HA
+ 269 127 87 90 92 95 # CT2 CT1 CT3 HA
+ 270 127 87 90 96 97 # CT2 CT1 CT3 HA
+ 271 127 87 90 96 98 # CT2 CT1 CT3 HA
+ 272 127 87 90 96 99 # CT2 CT1 CT3 HA
+ 273 123 87 85 100 102 # CT2 CT1 C NH1
+ 274 124 87 85 100 101 # CT2 CT1 C O
+ 275 13 88 87 85 100 # C CT1 CT2 HA
+ 276 156 88 87 90 92 # CT3 CT1 CT2 HA
+ 277 156 88 87 90 96 # CT3 CT1 CT2 HA
+ 278 177 88 87 90 91 # HA CT1 CT2 HA
+ 279 13 89 87 85 100 # C CT1 CT2 HA
+ 280 156 89 87 90 92 # CT3 CT1 CT2 HA
+ 281 156 89 87 90 96 # CT3 CT1 CT2 HA
+ 282 177 89 87 90 91 # HA CT1 CT2 HA
+ 283 11 90 87 85 100 # C CT1 CT2 CT1
+ 284 178 91 90 92 93 # HA CT1 CT3 HA
+ 285 178 91 90 92 94 # HA CT1 CT3 HA
+ 286 178 91 90 92 95 # HA CT1 CT3 HA
+ 287 178 91 90 96 97 # HA CT1 CT3 HA
+ 288 178 91 90 96 98 # HA CT1 CT3 HA
+ 289 178 91 90 96 99 # HA CT1 CT3 HA
+ 290 157 92 90 96 97 # CT3 CT1 CT3 HA
+ 291 157 92 90 96 98 # CT3 CT1 CT3 HA
+ 292 157 92 90 96 99 # CT3 CT1 CT3 HA
+ 293 157 93 92 90 96 # CT3 CT1 CT3 HA
+ 294 157 94 92 90 96 # CT3 CT1 CT3 HA
+ 295 157 95 92 90 96 # CT3 CT1 CT3 HA
+ 296 30 100 102 104 106 # C NH1 CT1 CT2
+ 297 17 100 102 104 115 # C CT1 NH1 C
+ 298 32 100 102 104 105 # C NH1 CT1 HB
+ 299 164 101 100 102 103 # H NH1 C O
+ 300 116 101 100 102 104 # CT1 NH1 C O
+ 301 134 102 104 106 109 # CT2 CT2 CT1 NH1
+ 302 183 102 104 106 107 # HA CT2 CT1 NH1
+ 303 183 102 104 106 108 # HA CT2 CT1 NH1
+ 304 218 102 104 115 117 # N C CT1 NH1
+ 305 226 102 104 115 116 # NH1 CT1 C O
+ 306 128 103 102 104 106 # CT2 CT1 NH1 H
+ 307 18 103 102 104 115 # C CT1 NH1 H
+ 308 165 103 102 104 105 # H NH1 CT1 HB
+ 309 58 104 115 117 121 # CP1 N C CT1
+ 310 59 104 115 117 121 # CP1 N C CT1
+ 311 78 104 115 117 118 # CP3 N C CT1
+ 312 79 104 115 117 118 # CP3 N C CT1
+ 313 47 104 106 109 112 # CC CT2 CT2 CT1
+ 314 107 104 106 109 110 # CT1 CT2 CT2 HA
+ 315 107 104 106 109 111 # CT1 CT2 CT2 HA
+ 316 133 105 104 106 109 # CT2 CT2 CT1 HB
+ 317 182 105 104 106 107 # HA CT2 CT1 HB
+ 318 182 105 104 106 108 # HA CT2 CT1 HB
+ 319 202 105 104 115 117 # HB CT1 C N
+ 320 204 105 104 115 116 # HB CT1 C O
+ 321 132 106 109 112 114 # CT2 CT2 CC OC
+ 322 132 106 109 112 113 # CT2 CT2 CC OC
+ 323 122 106 104 115 117 # CT2 CT1 C N
+ 324 124 106 104 115 116 # CT2 CT1 C O
+ 325 13 107 106 104 115 # C CT1 CT2 HA
+ 326 48 107 106 109 112 # CC CT2 CT2 HA
+ 327 185 107 106 109 110 # HA CT2 CT2 HA
+ 328 185 107 106 109 111 # HA CT2 CT2 HA
+ 329 13 108 106 104 115 # C CT1 CT2 HA
+ 330 48 108 106 109 112 # CC CT2 CT2 HA
+ 331 185 108 106 109 110 # HA CT2 CT2 HA
+ 332 185 108 106 109 111 # HA CT2 CT2 HA
+ 333 12 109 106 104 115 # C CT1 CT2 CT2
+ 334 181 110 109 112 114 # HA CT2 CC OC
+ 335 181 110 109 112 113 # HA CT2 CC OC
+ 336 181 111 109 112 114 # HA CT2 CC OC
+ 337 181 111 109 112 113 # HA CT2 CC OC
+ 338 3 115 117 121 129 # C CP1 N C
+ 339 22 115 117 121 123 # C N CP1 CP2
+ 340 23 115 117 121 122 # C N CP1 HB
+ 341 24 115 117 118 126 # C N CP3 CP2
+ 342 25 115 117 118 119 # C N CP3 HA
+ 343 25 115 117 118 120 # C N CP3 HA
+ 344 62 116 115 117 121 # CP1 N C O
+ 345 63 116 115 117 121 # CP1 N C O
+ 346 82 116 115 117 118 # CP3 N C O
+ 347 83 116 115 117 118 # CP3 N C O
+ 348 216 117 121 129 131 # N C CP1 N
+ 349 217 117 121 129 131 # N C CP1 N
+ 350 223 117 121 129 130 # N CP1 C O
+ 351 74 117 121 123 126 # CP2 CP2 CP1 N
+ 352 171 117 121 123 124 # HA CP2 CP1 N
+ 353 171 117 121 123 125 # HA CP2 CP1 N
+ 354 76 117 118 126 123 # CP2 CP2 CP3 N
+ 355 174 117 118 126 127 # HA CP2 CP3 N
+ 356 174 117 118 126 128 # HA CP2 CP3 N
+ 357 56 118 126 123 121 # CP1 CP2 CP2 CP3
+ 358 77 118 126 123 124 # CP3 CP2 CP2 HA
+ 359 77 118 126 123 125 # CP3 CP2 CP2 HA
+ 360 4 118 117 121 129 # C CP1 N CP3
+ 361 72 118 117 121 123 # CP2 CP1 N CP3
+ 362 84 118 117 121 122 # CP3 N CP1 HB
+ 363 75 119 118 126 123 # CP2 CP2 CP3 HA
+ 364 173 119 118 126 127 # HA CP2 CP3 HA
+ 365 173 119 118 126 128 # HA CP2 CP3 HA
+ 366 65 119 118 117 121 # CP1 N CP3 HA
+ 367 75 120 118 126 123 # CP2 CP2 CP3 HA
+ 368 173 120 118 126 127 # HA CP2 CP3 HA
+ 369 173 120 118 126 128 # HA CP2 CP3 HA
+ 370 65 120 118 117 121 # CP1 N CP3 HA
+ 371 49 121 129 131 135 # CP1 C N CP1
+ 372 50 121 129 131 135 # CP1 C N CP1
+ 373 51 121 129 131 132 # CP1 C N CP3
+ 374 52 121 129 131 132 # CP1 C N CP3
+ 375 57 121 123 126 127 # CP1 CP2 CP2 HA
+ 376 57 121 123 126 128 # CP1 CP2 CP2 HA
+ 377 64 121 117 118 126 # CP1 N CP3 CP2
+ 378 196 122 121 129 131 # HB CP1 C N
+ 379 197 122 121 129 131 # HB CP1 C N
+ 380 200 122 121 129 130 # HB CP1 C O
+ 381 201 122 121 129 130 # HB CP1 C O
+ 382 73 122 121 123 126 # CP2 CP2 CP1 HB
+ 383 170 122 121 123 124 # HA CP2 CP1 HB
+ 384 170 122 121 123 125 # HA CP2 CP1 HB
+ 385 66 123 121 129 131 # CP2 CP1 C N
+ 386 67 123 121 129 131 # CP2 CP1 C N
+ 387 70 123 121 129 130 # CP2 CP1 C O
+ 388 71 123 121 129 130 # CP2 CP1 C O
+ 389 2 124 123 121 129 # C CP1 CP2 HA
+ 390 172 124 123 126 127 # HA CP2 CP2 HA
+ 391 172 124 123 126 128 # HA CP2 CP2 HA
+ 392 2 125 123 121 129 # C CP1 CP2 HA
+ 393 172 125 123 126 127 # HA CP2 CP2 HA
+ 394 172 125 123 126 128 # HA CP2 CP2 HA
+ 395 1 126 123 121 129 # C CP1 CP2 CP2
+ 396 3 129 131 135 143 # C CP1 N C
+ 397 22 129 131 135 137 # C N CP1 CP2
+ 398 23 129 131 135 136 # C N CP1 HB
+ 399 24 129 131 132 140 # C N CP3 CP2
+ 400 25 129 131 132 133 # C N CP3 HA
+ 401 25 129 131 132 134 # C N CP3 HA
+ 402 62 130 129 131 135 # CP1 N C O
+ 403 63 130 129 131 135 # CP1 N C O
+ 404 82 130 129 131 132 # CP3 N C O
+ 405 83 130 129 131 132 # CP3 N C O
+ 406 221 131 135 143 145 # N CP1 C NH1
+ 407 222 131 135 143 145 # N CP1 C NH1
+ 408 223 131 135 143 144 # N CP1 C O
+ 409 74 131 135 137 140 # CP2 CP2 CP1 N
+ 410 171 131 135 137 138 # HA CP2 CP1 N
+ 411 171 131 135 137 139 # HA CP2 CP1 N
+ 412 76 131 132 140 137 # CP2 CP2 CP3 N
+ 413 174 131 132 140 141 # HA CP2 CP3 N
+ 414 174 131 132 140 142 # HA CP2 CP3 N
+ 415 56 132 140 137 135 # CP1 CP2 CP2 CP3
+ 416 77 132 140 137 138 # CP3 CP2 CP2 HA
+ 417 77 132 140 137 139 # CP3 CP2 CP2 HA
+ 418 4 132 131 135 143 # C CP1 N CP3
+ 419 72 132 131 135 137 # CP2 CP1 N CP3
+ 420 84 132 131 135 136 # CP3 N CP1 HB
+ 421 75 133 132 140 137 # CP2 CP2 CP3 HA
+ 422 173 133 132 140 141 # HA CP2 CP3 HA
+ 423 173 133 132 140 142 # HA CP2 CP3 HA
+ 424 65 133 132 131 135 # CP1 N CP3 HA
+ 425 75 134 132 140 137 # CP2 CP2 CP3 HA
+ 426 173 134 132 140 141 # HA CP2 CP3 HA
+ 427 173 134 132 140 142 # HA CP2 CP3 HA
+ 428 65 134 132 131 135 # CP1 N CP3 HA
+ 429 55 135 143 145 146 # CP1 C NH1 H
+ 430 53 135 143 145 147 # CP1 C NH1 CT1
+ 431 54 135 143 145 147 # CP1 C NH1 CT1
+ 432 57 135 137 140 141 # CP1 CP2 CP2 HA
+ 433 57 135 137 140 142 # CP1 CP2 CP2 HA
+ 434 64 135 131 132 140 # CP1 N CP3 CP2
+ 435 198 136 135 143 145 # HB CP1 C NH1
+ 436 199 136 135 143 145 # HB CP1 C NH1
+ 437 200 136 135 143 144 # HB CP1 C O
+ 438 201 136 135 143 144 # HB CP1 C O
+ 439 73 136 135 137 140 # CP2 CP2 CP1 HB
+ 440 170 136 135 137 138 # HA CP2 CP1 HB
+ 441 170 136 135 137 139 # HA CP2 CP1 HB
+ 442 68 137 135 143 145 # CP2 CP1 C NH1
+ 443 69 137 135 143 145 # CP2 CP1 C NH1
+ 444 70 137 135 143 144 # CP2 CP1 C O
+ 445 71 137 135 143 144 # CP2 CP1 C O
+ 446 2 138 137 135 143 # C CP1 CP2 HA
+ 447 172 138 137 140 141 # HA CP2 CP2 HA
+ 448 172 138 137 140 142 # HA CP2 CP2 HA
+ 449 2 139 137 135 143 # C CP1 CP2 HA
+ 450 172 139 137 140 141 # HA CP2 CP2 HA
+ 451 172 139 137 140 142 # HA CP2 CP2 HA
+ 452 1 140 137 135 143 # C CP1 CP2 CP2
+ 453 30 143 145 147 149 # C NH1 CT1 CT2
+ 454 17 143 145 147 164 # C CT1 NH1 C
+ 455 32 143 145 147 148 # C NH1 CT1 HB
+ 456 164 144 143 145 146 # H NH1 C O
+ 457 116 144 143 145 147 # CT1 NH1 C O
+ 458 42 145 147 149 152 # CA CT2 CT1 NH1
+ 459 183 145 147 149 150 # HA CT2 CT1 NH1
+ 460 183 145 147 149 151 # HA CT2 CT1 NH1
+ 461 224 145 147 164 166 # NH1 C CT1 NH1
+ 462 226 145 147 164 165 # NH1 CT1 C O
+ 463 128 146 145 147 149 # CT2 CT1 NH1 H
+ 464 18 146 145 147 164 # C CT1 NH1 H
+ 465 165 146 145 147 148 # H NH1 CT1 HB
+ 466 89 147 164 166 167 # CT1 C NH1 H
+ 467 85 147 164 166 168 # CT1 C NH1 CT1
+ 468 86 147 164 166 168 # CT1 C NH1 CT1
+ 469 38 147 149 152 160 # CA CA CT2 CT1
+ 470 38 147 149 152 153 # CA CA CT2 CT1
+ 471 41 148 147 149 152 # CA CT2 CT1 HB
+ 472 182 148 147 149 150 # HA CT2 CT1 HB
+ 473 182 148 147 149 151 # HA CT2 CT1 HB
+ 474 203 148 147 164 166 # HB CT1 C NH1
+ 475 204 148 147 164 165 # HB CT1 C O
+ 476 120 149 152 160 161 # CT2 CA CA HP
+ 477 35 149 152 160 162 # CA CA CA CT2
+ 478 35 149 152 153 155 # CA CA CA CT2
+ 479 120 149 152 153 154 # CT2 CA CA HP
+ 480 123 149 147 164 166 # CT2 CT1 C NH1
+ 481 124 149 147 164 165 # CT2 CT1 C O
+ 482 13 150 149 147 164 # C CT1 CT2 HA
+ 483 39 150 149 152 160 # CA CA CT2 HA
+ 484 39 150 149 152 153 # CA CA CT2 HA
+ 485 13 151 149 147 164 # C CT1 CT2 HA
+ 486 39 151 149 152 160 # CA CA CT2 HA
+ 487 39 151 149 152 153 # CA CA CT2 HA
+ 488 34 152 160 162 157 # CA CA CA CA
+ 489 36 152 160 162 163 # CA CA CA HP
+ 490 36 152 153 155 156 # CA CA CA HP
+ 491 34 152 153 155 157 # CA CA CA CA
+ 492 9 152 149 147 164 # C CT1 CT2 CA
+ 493 34 153 155 157 162 # CA CA CA CA
+ 494 37 153 155 157 158 # CA CA CA OH1
+ 495 36 153 152 160 161 # CA CA CA HP
+ 496 34 153 152 160 162 # CA CA CA CA
+ 497 214 154 153 155 156 # HP CA CA HP
+ 498 36 154 153 155 157 # CA CA CA HP
+ 499 36 154 153 152 160 # CA CA CA HP
+ 500 36 155 157 162 163 # CA CA CA HP
+ 501 34 155 157 162 160 # CA CA CA CA
+ 502 40 155 157 158 159 # CA CA OH1 H
+ 503 34 155 153 152 160 # CA CA CA CA
+ 504 36 156 155 157 162 # CA CA CA HP
+ 505 215 156 155 157 158 # HP CA CA OH1
+ 506 36 157 162 160 161 # CA CA CA HP
+ 507 215 158 157 162 163 # HP CA CA OH1
+ 508 37 158 157 162 160 # CA CA CA OH1
+ 509 40 159 158 157 162 # CA CA OH1 H
+ 510 214 161 160 162 163 # HP CA CA HP
+ 511 29 164 166 168 170 # C NH1 CT1 CT1
+ 512 17 164 166 168 178 # C CT1 NH1 C
+ 513 32 164 166 168 169 # C NH1 CT1 HB
+ 514 164 165 164 166 167 # H NH1 C O
+ 515 116 165 164 166 168 # CT1 NH1 C O
+ 516 228 166 168 170 172 # NH1 CT1 CT1 OH1
+ 517 154 166 168 170 174 # CT3 CT1 CT1 NH1
+ 518 176 166 168 170 171 # HA CT1 CT1 NH1
+ 519 224 166 168 178 180 # NH1 C CT1 NH1
+ 520 226 166 168 178 179 # NH1 CT1 C O
+ 521 95 167 166 168 170 # CT1 CT1 NH1 H
+ 522 18 167 166 168 178 # C CT1 NH1 H
+ 523 165 167 166 168 169 # H NH1 CT1 HB
+ 524 89 168 178 180 181 # CT1 C NH1 H
+ 525 87 168 178 180 182 # CT1 C NH1 CT2
+ 526 88 168 178 180 182 # CT1 C NH1 CT2
+ 527 96 168 170 172 173 # CT1 CT1 OH1 H
+ 528 97 168 170 172 173 # CT1 CT1 OH1 H
+ 529 98 168 170 172 173 # CT1 CT1 OH1 H
+ 530 94 168 170 174 175 # CT1 CT1 CT3 HA
+ 531 94 168 170 174 176 # CT1 CT1 CT3 HA
+ 532 94 168 170 174 177 # CT1 CT1 CT3 HA
+ 533 206 169 168 170 172 # HB CT1 CT1 OH1
+ 534 153 169 168 170 174 # CT3 CT1 CT1 HB
+ 535 175 169 168 170 171 # HA CT1 CT1 HB
+ 536 203 169 168 178 180 # HB CT1 C NH1
+ 537 204 169 168 178 179 # HB CT1 C O
+ 538 90 170 168 178 180 # CT1 CT1 C NH1
+ 539 91 170 168 178 179 # CT1 CT1 C O
+ 540 7 171 170 168 178 # C CT1 CT1 HA
+ 541 168 171 170 172 173 # H OH1 CT1 HA
+ 542 178 171 170 174 175 # HA CT1 CT3 HA
+ 543 178 171 170 174 176 # HA CT1 CT3 HA
+ 544 178 171 170 174 177 # HA CT1 CT3 HA
+ 545 8 172 170 168 178 # C CT1 CT1 OH1
+ 546 195 172 170 174 175 # HA CT3 CT1 OH1
+ 547 195 172 170 174 176 # HA CT3 CT1 OH1
+ 548 195 172 170 174 177 # HA CT3 CT1 OH1
+ 549 159 173 172 170 174 # CT3 CT1 OH1 H
+ 550 160 173 172 170 174 # CT3 CT1 OH1 H
+ 551 161 173 172 170 174 # CT3 CT1 OH1 H
+ 552 6 174 170 168 178 # C CT1 CT1 CT3
+ 553 20 178 180 182 185 # C CT2 NH1 C
+ 554 33 178 180 182 183 # C NH1 CT2 HB
+ 555 33 178 180 182 184 # C NH1 CT2 HB
+ 556 164 179 178 180 181 # H NH1 C O
+ 557 145 179 178 180 182 # CT2 NH1 C O
+ 558 220 180 182 185 187 # N C CT2 NH1
+ 559 231 180 182 185 186 # NH1 CT2 C O
+ 560 21 181 180 182 185 # C CT2 NH1 H
+ 561 166 181 180 182 183 # H NH1 CT2 HB
+ 562 166 181 180 182 184 # H NH1 CT2 HB
+ 563 60 182 185 187 191 # CP1 N C CT2
+ 564 61 182 185 187 191 # CP1 N C CT2
+ 565 80 182 185 187 188 # CP3 N C CT2
+ 566 81 182 185 187 188 # CP3 N C CT2
+ 567 210 183 182 185 187 # HB CT2 C N
+ 568 212 183 182 185 186 # HB CT2 C O
+ 569 210 184 182 185 187 # HB CT2 C N
+ 570 212 184 182 185 186 # HB CT2 C O
+ 571 3 185 187 191 199 # C CP1 N C
+ 572 22 185 187 191 193 # C N CP1 CP2
+ 573 23 185 187 191 192 # C N CP1 HB
+ 574 24 185 187 188 196 # C N CP3 CP2
+ 575 25 185 187 188 189 # C N CP3 HA
+ 576 25 185 187 188 190 # C N CP3 HA
+ 577 62 186 185 187 191 # CP1 N C O
+ 578 63 186 185 187 191 # CP1 N C O
+ 579 82 186 185 187 188 # CP3 N C O
+ 580 83 186 185 187 188 # CP3 N C O
+ 581 221 187 191 199 201 # N CP1 C NH1
+ 582 222 187 191 199 201 # N CP1 C NH1
+ 583 223 187 191 199 200 # N CP1 C O
+ 584 74 187 191 193 196 # CP2 CP2 CP1 N
+ 585 171 187 191 193 194 # HA CP2 CP1 N
+ 586 171 187 191 193 195 # HA CP2 CP1 N
+ 587 76 187 188 196 193 # CP2 CP2 CP3 N
+ 588 174 187 188 196 197 # HA CP2 CP3 N
+ 589 174 187 188 196 198 # HA CP2 CP3 N
+ 590 56 188 196 193 191 # CP1 CP2 CP2 CP3
+ 591 77 188 196 193 194 # CP3 CP2 CP2 HA
+ 592 77 188 196 193 195 # CP3 CP2 CP2 HA
+ 593 4 188 187 191 199 # C CP1 N CP3
+ 594 72 188 187 191 193 # CP2 CP1 N CP3
+ 595 84 188 187 191 192 # CP3 N CP1 HB
+ 596 75 189 188 196 193 # CP2 CP2 CP3 HA
+ 597 173 189 188 196 197 # HA CP2 CP3 HA
+ 598 173 189 188 196 198 # HA CP2 CP3 HA
+ 599 65 189 188 187 191 # CP1 N CP3 HA
+ 600 75 190 188 196 193 # CP2 CP2 CP3 HA
+ 601 173 190 188 196 197 # HA CP2 CP3 HA
+ 602 173 190 188 196 198 # HA CP2 CP3 HA
+ 603 65 190 188 187 191 # CP1 N CP3 HA
+ 604 55 191 199 201 202 # CP1 C NH1 H
+ 605 53 191 199 201 203 # CP1 C NH1 CT1
+ 606 54 191 199 201 203 # CP1 C NH1 CT1
+ 607 57 191 193 196 197 # CP1 CP2 CP2 HA
+ 608 57 191 193 196 198 # CP1 CP2 CP2 HA
+ 609 64 191 187 188 196 # CP1 N CP3 CP2
+ 610 198 192 191 199 201 # HB CP1 C NH1
+ 611 199 192 191 199 201 # HB CP1 C NH1
+ 612 200 192 191 199 200 # HB CP1 C O
+ 613 201 192 191 199 200 # HB CP1 C O
+ 614 73 192 191 193 196 # CP2 CP2 CP1 HB
+ 615 170 192 191 193 194 # HA CP2 CP1 HB
+ 616 170 192 191 193 195 # HA CP2 CP1 HB
+ 617 68 193 191 199 201 # CP2 CP1 C NH1
+ 618 69 193 191 199 201 # CP2 CP1 C NH1
+ 619 70 193 191 199 200 # CP2 CP1 C O
+ 620 71 193 191 199 200 # CP2 CP1 C O
+ 621 2 194 193 191 199 # C CP1 CP2 HA
+ 622 172 194 193 196 197 # HA CP2 CP2 HA
+ 623 172 194 193 196 198 # HA CP2 CP2 HA
+ 624 2 195 193 191 199 # C CP1 CP2 HA
+ 625 172 195 193 196 197 # HA CP2 CP2 HA
+ 626 172 195 193 196 198 # HA CP2 CP2 HA
+ 627 1 196 193 191 199 # C CP1 CP2 CP2
+ 628 30 199 201 203 205 # C NH1 CT1 CT2
+ 629 17 199 201 203 209 # C CT1 NH1 C
+ 630 32 199 201 203 204 # C NH1 CT1 HB
+ 631 164 200 199 201 202 # H NH1 C O
+ 632 116 200 199 201 203 # CT1 NH1 C O
+ 633 230 201 203 205 208 # NH1 CT1 CT2 SM
+ 634 183 201 203 205 206 # HA CT2 CT1 NH1
+ 635 183 201 203 205 207 # HA CT2 CT1 NH1
+ 636 224 201 203 209 211 # NH1 C CT1 NH1
+ 637 226 201 203 209 210 # NH1 CT1 C O
+ 638 128 202 201 203 205 # CT2 CT1 NH1 H
+ 639 18 202 201 203 209 # C CT1 NH1 H
+ 640 165 202 201 203 204 # H NH1 CT1 HB
+ 641 113 203 205 208 592 # CT1 CT2 SM SM
+ 642 89 203 209 211 212 # CT1 C NH1 H
+ 643 85 203 209 211 213 # CT1 C NH1 CT1
+ 644 86 203 209 211 213 # CT1 C NH1 CT1
+ 645 208 204 203 205 208 # HB CT1 CT2 SM
+ 646 182 204 203 205 206 # HA CT2 CT1 HB
+ 647 182 204 203 205 207 # HA CT2 CT1 HB
+ 648 203 204 203 209 211 # HB CT1 C NH1
+ 649 204 204 203 209 210 # HB CT1 C O
+ 650 147 205 208 592 589 # CT2 SM SM CT2
+ 651 148 205 208 592 589 # CT2 SM SM CT2
+ 652 149 205 208 592 589 # CT2 SM SM CT2
+ 653 123 205 203 209 211 # CT2 CT1 C NH1
+ 654 124 205 203 209 210 # CT2 CT1 C O
+ 655 192 206 205 208 592 # HA CT2 SM SM
+ 656 13 206 205 203 209 # C CT1 CT2 HA
+ 657 192 207 205 208 592 # HA CT2 SM SM
+ 658 13 207 205 203 209 # C CT1 CT2 HA
+ 659 113 208 592 589 587 # CT1 CT2 SM SM
+ 660 15 208 205 203 209 # C CT1 CT2 SM
+ 661 30 209 211 213 215 # C NH1 CT1 CT2
+ 662 17 209 211 213 231 # C CT1 NH1 C
+ 663 32 209 211 213 214 # C NH1 CT1 HB
+ 664 164 210 209 211 212 # H NH1 C O
+ 665 116 210 209 211 213 # CT1 NH1 C O
+ 666 134 211 213 215 218 # CT2 CT2 CT1 NH1
+ 667 183 211 213 215 216 # HA CT2 CT1 NH1
+ 668 183 211 213 215 217 # HA CT2 CT1 NH1
+ 669 224 211 213 231 233 # NH1 C CT1 NH1
+ 670 226 211 213 231 232 # NH1 CT1 C O
+ 671 128 212 211 213 215 # CT2 CT1 NH1 H
+ 672 18 212 211 213 231 # C CT1 NH1 H
+ 673 165 212 211 213 214 # H NH1 CT1 HB
+ 674 89 213 231 233 234 # CT1 C NH1 H
+ 675 85 213 231 233 235 # CT1 C NH1 CT1
+ 676 86 213 231 233 235 # CT1 C NH1 CT1
+ 677 106 213 215 218 221 # CT1 CT2 CT2 CT2
+ 678 107 213 215 218 219 # CT1 CT2 CT2 HA
+ 679 107 213 215 218 220 # CT1 CT2 CT2 HA
+ 680 133 214 213 215 218 # CT2 CT2 CT1 HB
+ 681 182 214 213 215 216 # HA CT2 CT1 HB
+ 682 182 214 213 215 217 # HA CT2 CT1 HB
+ 683 203 214 213 231 233 # HB CT1 C NH1
+ 684 204 214 213 231 232 # HB CT1 C O
+ 685 136 215 218 221 224 # CT2 CT2 CT2 CT2
+ 686 137 215 218 221 222 # CT2 CT2 CT2 HA
+ 687 137 215 218 221 223 # CT2 CT2 CT2 HA
+ 688 123 215 213 231 233 # CT2 CT1 C NH1
+ 689 124 215 213 231 232 # CT2 CT1 C O
+ 690 13 216 215 213 231 # C CT1 CT2 HA
+ 691 137 216 215 218 221 # CT2 CT2 CT2 HA
+ 692 185 216 215 218 219 # HA CT2 CT2 HA
+ 693 185 216 215 218 220 # HA CT2 CT2 HA
+ 694 13 217 215 213 231 # C CT1 CT2 HA
+ 695 137 217 215 218 221 # CT2 CT2 CT2 HA
+ 696 185 217 215 218 219 # HA CT2 CT2 HA
+ 697 185 217 215 218 220 # HA CT2 CT2 HA
+ 698 139 218 221 224 227 # CT2 CT2 CT2 NH3
+ 699 137 218 221 224 225 # CT2 CT2 CT2 HA
+ 700 137 218 221 224 226 # CT2 CT2 CT2 HA
+ 701 12 218 215 213 231 # C CT1 CT2 CT2
+ 702 137 219 218 221 224 # CT2 CT2 CT2 HA
+ 703 185 219 218 221 222 # HA CT2 CT2 HA
+ 704 185 219 218 221 223 # HA CT2 CT2 HA
+ 705 137 220 218 221 224 # CT2 CT2 CT2 HA
+ 706 185 220 218 221 222 # HA CT2 CT2 HA
+ 707 185 220 218 221 223 # HA CT2 CT2 HA
+ 708 141 221 224 227 228 # CT2 CT2 NH3 HC
+ 709 141 221 224 227 229 # CT2 CT2 NH3 HC
+ 710 141 221 224 227 230 # CT2 CT2 NH3 HC
+ 711 187 222 221 224 227 # HA CT2 CT2 NH3
+ 712 185 222 221 224 225 # HA CT2 CT2 HA
+ 713 185 222 221 224 226 # HA CT2 CT2 HA
+ 714 187 223 221 224 227 # HA CT2 CT2 NH3
+ 715 185 223 221 224 225 # HA CT2 CT2 HA
+ 716 185 223 221 224 226 # HA CT2 CT2 HA
+ 717 191 225 224 227 228 # HA CT2 NH3 HC
+ 718 191 225 224 227 229 # HA CT2 NH3 HC
+ 719 191 225 224 227 230 # HA CT2 NH3 HC
+ 720 191 226 224 227 228 # HA CT2 NH3 HC
+ 721 191 226 224 227 229 # HA CT2 NH3 HC
+ 722 191 226 224 227 230 # HA CT2 NH3 HC
+ 723 31 231 233 235 237 # C NH1 CT1 CT3
+ 724 17 231 233 235 241 # C CT1 NH1 C
+ 725 32 231 233 235 236 # C NH1 CT1 HB
+ 726 164 232 231 233 234 # H NH1 C O
+ 727 116 232 231 233 235 # CT1 NH1 C O
+ 728 194 233 235 237 238 # HA CT3 CT1 NH1
+ 729 194 233 235 237 239 # HA CT3 CT1 NH1
+ 730 194 233 235 237 240 # HA CT3 CT1 NH1
+ 731 224 233 235 241 243 # NH1 C CT1 NH1
+ 732 226 233 235 241 242 # NH1 CT1 C O
+ 733 158 234 233 235 237 # CT3 CT1 NH1 H
+ 734 18 234 233 235 241 # C CT1 NH1 H
+ 735 165 234 233 235 236 # H NH1 CT1 HB
+ 736 89 235 241 243 244 # CT1 C NH1 H
+ 737 85 235 241 243 245 # CT1 C NH1 CT1
+ 738 86 235 241 243 245 # CT1 C NH1 CT1
+ 739 193 236 235 237 238 # HA CT3 CT1 HB
+ 740 193 236 235 237 239 # HA CT3 CT1 HB
+ 741 193 236 235 237 240 # HA CT3 CT1 HB
+ 742 203 236 235 241 243 # HB CT1 C NH1
+ 743 204 236 235 241 242 # HB CT1 C O
+ 744 150 237 235 241 243 # CT3 CT1 C NH1
+ 745 151 237 235 241 242 # CT3 CT1 C O
+ 746 16 238 237 235 241 # C CT1 CT3 HA
+ 747 16 239 237 235 241 # C CT1 CT3 HA
+ 748 16 240 237 235 241 # C CT1 CT3 HA
+ 749 30 241 243 245 247 # C NH1 CT1 CT2
+ 750 17 241 243 245 265 # C CT1 NH1 C
+ 751 32 241 243 245 246 # C NH1 CT1 HB
+ 752 164 242 241 243 244 # H NH1 C O
+ 753 116 242 241 243 245 # CT1 NH1 C O
+ 754 134 243 245 247 250 # CT2 CT2 CT1 NH1
+ 755 183 243 245 247 248 # HA CT2 CT1 NH1
+ 756 183 243 245 247 249 # HA CT2 CT1 NH1
+ 757 224 243 245 265 267 # NH1 C CT1 NH1
+ 758 226 243 245 265 266 # NH1 CT1 C O
+ 759 128 244 243 245 247 # CT2 CT1 NH1 H
+ 760 18 244 243 245 265 # C CT1 NH1 H
+ 761 165 244 243 245 246 # H NH1 CT1 HB
+ 762 89 245 265 267 268 # CT1 C NH1 H
+ 763 85 245 265 267 269 # CT1 C NH1 CT1
+ 764 86 245 265 267 269 # CT1 C NH1 CT1
+ 765 106 245 247 250 253 # CT1 CT2 CT2 CT2
+ 766 107 245 247 250 251 # CT1 CT2 CT2 HA
+ 767 107 245 247 250 252 # CT1 CT2 CT2 HA
+ 768 133 246 245 247 250 # CT2 CT2 CT1 HB
+ 769 182 246 245 247 248 # HA CT2 CT1 HB
+ 770 182 246 245 247 249 # HA CT2 CT1 HB
+ 771 203 246 245 265 267 # HB CT1 C NH1
+ 772 204 246 245 265 266 # HB CT1 C O
+ 773 138 247 250 253 256 # CT2 CT2 CT2 NC2
+ 774 137 247 250 253 254 # CT2 CT2 CT2 HA
+ 775 137 247 250 253 255 # CT2 CT2 CT2 HA
+ 776 123 247 245 265 267 # CT2 CT1 C NH1
+ 777 124 247 245 265 266 # CT2 CT1 C O
+ 778 13 248 247 245 265 # C CT1 CT2 HA
+ 779 137 248 247 250 253 # CT2 CT2 CT2 HA
+ 780 185 248 247 250 251 # HA CT2 CT2 HA
+ 781 185 248 247 250 252 # HA CT2 CT2 HA
+ 782 13 249 247 245 265 # C CT1 CT2 HA
+ 783 137 249 247 250 253 # CT2 CT2 CT2 HA
+ 784 185 249 247 250 251 # HA CT2 CT2 HA
+ 785 185 249 247 250 252 # HA CT2 CT2 HA
+ 786 26 250 253 256 258 # C NC2 CT2 CT2
+ 787 140 250 253 256 257 # CT2 CT2 NC2 HC
+ 788 12 250 247 245 265 # C CT1 CT2 CT2
+ 789 186 251 250 253 256 # HA CT2 CT2 NC2
+ 790 185 251 250 253 254 # HA CT2 CT2 HA
+ 791 185 251 250 253 255 # HA CT2 CT2 HA
+ 792 186 252 250 253 256 # HA CT2 CT2 NC2
+ 793 185 252 250 253 254 # HA CT2 CT2 HA
+ 794 185 252 250 253 255 # HA CT2 CT2 HA
+ 795 144 253 256 258 262 # CT2 NC2 C NC2
+ 796 144 253 256 258 259 # CT2 NC2 C NC2
+ 797 27 254 253 256 258 # C NC2 CT2 HA
+ 798 190 254 253 256 257 # HA CT2 NC2 HC
+ 799 27 255 253 256 258 # C NC2 CT2 HA
+ 800 190 255 253 256 257 # HA CT2 NC2 HC
+ 801 213 256 258 262 263 # HC NC2 C NC2
+ 802 213 256 258 262 264 # HC NC2 C NC2
+ 803 213 256 258 259 260 # HC NC2 C NC2
+ 804 213 256 258 259 261 # HC NC2 C NC2
+ 805 213 257 256 258 262 # HC NC2 C NC2
+ 806 213 257 256 258 259 # HC NC2 C NC2
+ 807 213 259 258 262 263 # HC NC2 C NC2
+ 808 213 259 258 262 264 # HC NC2 C NC2
+ 809 213 260 259 258 262 # HC NC2 C NC2
+ 810 213 261 259 258 262 # HC NC2 C NC2
+ 811 29 265 267 269 271 # C NH1 CT1 CT1
+ 812 17 265 267 269 284 # C CT1 NH1 C
+ 813 32 265 267 269 270 # C NH1 CT1 HB
+ 814 164 266 265 267 268 # H NH1 C O
+ 815 116 266 265 267 269 # CT1 NH1 C O
+ 816 126 267 269 271 277 # CT2 CT1 CT1 NH1
+ 817 154 267 269 271 273 # CT3 CT1 CT1 NH1
+ 818 176 267 269 271 272 # HA CT1 CT1 NH1
+ 819 224 267 269 284 286 # NH1 C CT1 NH1
+ 820 226 267 269 284 285 # NH1 CT1 C O
+ 821 95 268 267 269 271 # CT1 CT1 NH1 H
+ 822 18 268 267 269 284 # C CT1 NH1 H
+ 823 165 268 267 269 270 # H NH1 CT1 HB
+ 824 89 269 284 286 287 # CT1 C NH1 H
+ 825 85 269 284 286 288 # CT1 C NH1 CT1
+ 826 86 269 284 286 288 # CT1 C NH1 CT1
+ 827 92 269 271 277 280 # CT1 CT1 CT2 CT3
+ 828 93 269 271 277 278 # CT1 CT1 CT2 HA
+ 829 93 269 271 277 279 # CT1 CT1 CT2 HA
+ 830 94 269 271 273 274 # CT1 CT1 CT3 HA
+ 831 94 269 271 273 275 # CT1 CT1 CT3 HA
+ 832 94 269 271 273 276 # CT1 CT1 CT3 HA
+ 833 125 270 269 271 277 # CT2 CT1 CT1 HB
+ 834 153 270 269 271 273 # CT3 CT1 CT1 HB
+ 835 175 270 269 271 272 # HA CT1 CT1 HB
+ 836 203 270 269 284 286 # HB CT1 C NH1
+ 837 204 270 269 284 285 # HB CT1 C O
+ 838 109 271 277 280 281 # CT1 CT2 CT3 HA
+ 839 109 271 277 280 282 # CT1 CT2 CT3 HA
+ 840 109 271 277 280 283 # CT1 CT2 CT3 HA
+ 841 90 271 269 284 286 # CT1 CT1 C NH1
+ 842 91 271 269 284 285 # CT1 CT1 C O
+ 843 7 272 271 269 284 # C CT1 CT1 HA
+ 844 162 272 271 277 280 # CT3 CT2 CT1 HA
+ 845 177 272 271 277 278 # HA CT1 CT2 HA
+ 846 177 272 271 277 279 # HA CT1 CT2 HA
+ 847 178 272 271 273 274 # HA CT1 CT3 HA
+ 848 178 272 271 273 275 # HA CT1 CT3 HA
+ 849 178 272 271 273 276 # HA CT1 CT3 HA
+ 850 6 273 271 269 284 # C CT1 CT1 CT3
+ 851 155 273 271 277 280 # CT3 CT1 CT2 CT3
+ 852 156 273 271 277 278 # CT3 CT1 CT2 HA
+ 853 156 273 271 277 279 # CT3 CT1 CT2 HA
+ 854 127 274 273 271 277 # CT2 CT1 CT3 HA
+ 855 127 275 273 271 277 # CT2 CT1 CT3 HA
+ 856 127 276 273 271 277 # CT2 CT1 CT3 HA
+ 857 5 277 271 269 284 # C CT1 CT1 CT2
+ 858 189 278 277 280 281 # HA CT2 CT3 HA
+ 859 189 278 277 280 282 # HA CT2 CT3 HA
+ 860 189 278 277 280 283 # HA CT2 CT3 HA
+ 861 189 279 277 280 281 # HA CT2 CT3 HA
+ 862 189 279 277 280 282 # HA CT2 CT3 HA
+ 863 189 279 277 280 283 # HA CT2 CT3 HA
+ 864 29 284 286 288 290 # C NH1 CT1 CT1
+ 865 17 284 286 288 303 # C CT1 NH1 C
+ 866 32 284 286 288 289 # C NH1 CT1 HB
+ 867 164 285 284 286 287 # H NH1 C O
+ 868 116 285 284 286 288 # CT1 NH1 C O
+ 869 126 286 288 290 296 # CT2 CT1 CT1 NH1
+ 870 154 286 288 290 292 # CT3 CT1 CT1 NH1
+ 871 176 286 288 290 291 # HA CT1 CT1 NH1
+ 872 224 286 288 303 305 # NH1 C CT1 NH1
+ 873 226 286 288 303 304 # NH1 CT1 C O
+ 874 95 287 286 288 290 # CT1 CT1 NH1 H
+ 875 18 287 286 288 303 # C CT1 NH1 H
+ 876 165 287 286 288 289 # H NH1 CT1 HB
+ 877 89 288 303 305 306 # CT1 C NH1 H
+ 878 85 288 303 305 307 # CT1 C NH1 CT1
+ 879 86 288 303 305 307 # CT1 C NH1 CT1
+ 880 92 288 290 296 299 # CT1 CT1 CT2 CT3
+ 881 93 288 290 296 297 # CT1 CT1 CT2 HA
+ 882 93 288 290 296 298 # CT1 CT1 CT2 HA
+ 883 94 288 290 292 293 # CT1 CT1 CT3 HA
+ 884 94 288 290 292 294 # CT1 CT1 CT3 HA
+ 885 94 288 290 292 295 # CT1 CT1 CT3 HA
+ 886 125 289 288 290 296 # CT2 CT1 CT1 HB
+ 887 153 289 288 290 292 # CT3 CT1 CT1 HB
+ 888 175 289 288 290 291 # HA CT1 CT1 HB
+ 889 203 289 288 303 305 # HB CT1 C NH1
+ 890 204 289 288 303 304 # HB CT1 C O
+ 891 109 290 296 299 300 # CT1 CT2 CT3 HA
+ 892 109 290 296 299 301 # CT1 CT2 CT3 HA
+ 893 109 290 296 299 302 # CT1 CT2 CT3 HA
+ 894 90 290 288 303 305 # CT1 CT1 C NH1
+ 895 91 290 288 303 304 # CT1 CT1 C O
+ 896 7 291 290 288 303 # C CT1 CT1 HA
+ 897 162 291 290 296 299 # CT3 CT2 CT1 HA
+ 898 177 291 290 296 297 # HA CT1 CT2 HA
+ 899 177 291 290 296 298 # HA CT1 CT2 HA
+ 900 178 291 290 292 293 # HA CT1 CT3 HA
+ 901 178 291 290 292 294 # HA CT1 CT3 HA
+ 902 178 291 290 292 295 # HA CT1 CT3 HA
+ 903 6 292 290 288 303 # C CT1 CT1 CT3
+ 904 155 292 290 296 299 # CT3 CT1 CT2 CT3
+ 905 156 292 290 296 297 # CT3 CT1 CT2 HA
+ 906 156 292 290 296 298 # CT3 CT1 CT2 HA
+ 907 127 293 292 290 296 # CT2 CT1 CT3 HA
+ 908 127 294 292 290 296 # CT2 CT1 CT3 HA
+ 909 127 295 292 290 296 # CT2 CT1 CT3 HA
+ 910 5 296 290 288 303 # C CT1 CT1 CT2
+ 911 189 297 296 299 300 # HA CT2 CT3 HA
+ 912 189 297 296 299 301 # HA CT2 CT3 HA
+ 913 189 297 296 299 302 # HA CT2 CT3 HA
+ 914 189 298 296 299 300 # HA CT2 CT3 HA
+ 915 189 298 296 299 301 # HA CT2 CT3 HA
+ 916 189 298 296 299 302 # HA CT2 CT3 HA
+ 917 30 303 305 307 309 # C NH1 CT1 CT2
+ 918 17 303 305 307 327 # C CT1 NH1 C
+ 919 32 303 305 307 308 # C NH1 CT1 HB
+ 920 164 304 303 305 306 # H NH1 C O
+ 921 116 304 303 305 307 # CT1 NH1 C O
+ 922 134 305 307 309 312 # CT2 CT2 CT1 NH1
+ 923 183 305 307 309 310 # HA CT2 CT1 NH1
+ 924 183 305 307 309 311 # HA CT2 CT1 NH1
+ 925 224 305 307 327 329 # NH1 C CT1 NH1
+ 926 226 305 307 327 328 # NH1 CT1 C O
+ 927 128 306 305 307 309 # CT2 CT1 NH1 H
+ 928 18 306 305 307 327 # C CT1 NH1 H
+ 929 165 306 305 307 308 # H NH1 CT1 HB
+ 930 89 307 327 329 330 # CT1 C NH1 H
+ 931 85 307 327 329 331 # CT1 C NH1 CT1
+ 932 86 307 327 329 331 # CT1 C NH1 CT1
+ 933 106 307 309 312 315 # CT1 CT2 CT2 CT2
+ 934 107 307 309 312 313 # CT1 CT2 CT2 HA
+ 935 107 307 309 312 314 # CT1 CT2 CT2 HA
+ 936 133 308 307 309 312 # CT2 CT2 CT1 HB
+ 937 182 308 307 309 310 # HA CT2 CT1 HB
+ 938 182 308 307 309 311 # HA CT2 CT1 HB
+ 939 203 308 307 327 329 # HB CT1 C NH1
+ 940 204 308 307 327 328 # HB CT1 C O
+ 941 138 309 312 315 318 # CT2 CT2 CT2 NC2
+ 942 137 309 312 315 316 # CT2 CT2 CT2 HA
+ 943 137 309 312 315 317 # CT2 CT2 CT2 HA
+ 944 123 309 307 327 329 # CT2 CT1 C NH1
+ 945 124 309 307 327 328 # CT2 CT1 C O
+ 946 13 310 309 307 327 # C CT1 CT2 HA
+ 947 137 310 309 312 315 # CT2 CT2 CT2 HA
+ 948 185 310 309 312 313 # HA CT2 CT2 HA
+ 949 185 310 309 312 314 # HA CT2 CT2 HA
+ 950 13 311 309 307 327 # C CT1 CT2 HA
+ 951 137 311 309 312 315 # CT2 CT2 CT2 HA
+ 952 185 311 309 312 313 # HA CT2 CT2 HA
+ 953 185 311 309 312 314 # HA CT2 CT2 HA
+ 954 26 312 315 318 320 # C NC2 CT2 CT2
+ 955 140 312 315 318 319 # CT2 CT2 NC2 HC
+ 956 12 312 309 307 327 # C CT1 CT2 CT2
+ 957 186 313 312 315 318 # HA CT2 CT2 NC2
+ 958 185 313 312 315 316 # HA CT2 CT2 HA
+ 959 185 313 312 315 317 # HA CT2 CT2 HA
+ 960 186 314 312 315 318 # HA CT2 CT2 NC2
+ 961 185 314 312 315 316 # HA CT2 CT2 HA
+ 962 185 314 312 315 317 # HA CT2 CT2 HA
+ 963 144 315 318 320 324 # CT2 NC2 C NC2
+ 964 144 315 318 320 321 # CT2 NC2 C NC2
+ 965 27 316 315 318 320 # C NC2 CT2 HA
+ 966 190 316 315 318 319 # HA CT2 NC2 HC
+ 967 27 317 315 318 320 # C NC2 CT2 HA
+ 968 190 317 315 318 319 # HA CT2 NC2 HC
+ 969 213 318 320 324 325 # HC NC2 C NC2
+ 970 213 318 320 324 326 # HC NC2 C NC2
+ 971 213 318 320 321 322 # HC NC2 C NC2
+ 972 213 318 320 321 323 # HC NC2 C NC2
+ 973 213 319 318 320 324 # HC NC2 C NC2
+ 974 213 319 318 320 321 # HC NC2 C NC2
+ 975 213 321 320 324 325 # HC NC2 C NC2
+ 976 213 321 320 324 326 # HC NC2 C NC2
+ 977 213 322 321 320 324 # HC NC2 C NC2
+ 978 213 323 321 320 324 # HC NC2 C NC2
+ 979 30 327 329 331 333 # C NH1 CT1 CT2
+ 980 17 327 329 331 348 # C CT1 NH1 C
+ 981 32 327 329 331 332 # C NH1 CT1 HB
+ 982 164 328 327 329 330 # H NH1 C O
+ 983 116 328 327 329 331 # CT1 NH1 C O
+ 984 42 329 331 333 336 # CA CT2 CT1 NH1
+ 985 183 329 331 333 334 # HA CT2 CT1 NH1
+ 986 183 329 331 333 335 # HA CT2 CT1 NH1
+ 987 224 329 331 348 350 # NH1 C CT1 NH1
+ 988 226 329 331 348 349 # NH1 CT1 C O
+ 989 128 330 329 331 333 # CT2 CT1 NH1 H
+ 990 18 330 329 331 348 # C CT1 NH1 H
+ 991 165 330 329 331 332 # H NH1 CT1 HB
+ 992 89 331 348 350 351 # CT1 C NH1 H
+ 993 85 331 348 350 352 # CT1 C NH1 CT1
+ 994 86 331 348 350 352 # CT1 C NH1 CT1
+ 995 38 331 333 336 344 # CA CA CT2 CT1
+ 996 38 331 333 336 337 # CA CA CT2 CT1
+ 997 41 332 331 333 336 # CA CT2 CT1 HB
+ 998 182 332 331 333 334 # HA CT2 CT1 HB
+ 999 182 332 331 333 335 # HA CT2 CT1 HB
+ 1000 203 332 331 348 350 # HB CT1 C NH1
+ 1001 204 332 331 348 349 # HB CT1 C O
+ 1002 120 333 336 344 345 # CT2 CA CA HP
+ 1003 35 333 336 344 346 # CA CA CA CT2
+ 1004 35 333 336 337 339 # CA CA CA CT2
+ 1005 120 333 336 337 338 # CT2 CA CA HP
+ 1006 123 333 331 348 350 # CT2 CT1 C NH1
+ 1007 124 333 331 348 349 # CT2 CT1 C O
+ 1008 13 334 333 331 348 # C CT1 CT2 HA
+ 1009 39 334 333 336 344 # CA CA CT2 HA
+ 1010 39 334 333 336 337 # CA CA CT2 HA
+ 1011 13 335 333 331 348 # C CT1 CT2 HA
+ 1012 39 335 333 336 344 # CA CA CT2 HA
+ 1013 39 335 333 336 337 # CA CA CT2 HA
+ 1014 34 336 344 346 341 # CA CA CA CA
+ 1015 36 336 344 346 347 # CA CA CA HP
+ 1016 36 336 337 339 340 # CA CA CA HP
+ 1017 34 336 337 339 341 # CA CA CA CA
+ 1018 9 336 333 331 348 # C CT1 CT2 CA
+ 1019 34 337 339 341 346 # CA CA CA CA
+ 1020 37 337 339 341 342 # CA CA CA OH1
+ 1021 36 337 336 344 345 # CA CA CA HP
+ 1022 34 337 336 344 346 # CA CA CA CA
+ 1023 214 338 337 339 340 # HP CA CA HP
+ 1024 36 338 337 339 341 # CA CA CA HP
+ 1025 36 338 337 336 344 # CA CA CA HP
+ 1026 36 339 341 346 347 # CA CA CA HP
+ 1027 34 339 341 346 344 # CA CA CA CA
+ 1028 40 339 341 342 343 # CA CA OH1 H
+ 1029 34 339 337 336 344 # CA CA CA CA
+ 1030 36 340 339 341 346 # CA CA CA HP
+ 1031 215 340 339 341 342 # HP CA CA OH1
+ 1032 36 341 346 344 345 # CA CA CA HP
+ 1033 215 342 341 346 347 # HP CA CA OH1
+ 1034 37 342 341 346 344 # CA CA CA OH1
+ 1035 40 343 342 341 346 # CA CA OH1 H
+ 1036 214 345 344 346 347 # HP CA CA HP
+ 1037 30 348 350 352 354 # C NH1 CT1 CT2
+ 1038 17 348 350 352 368 # C CT1 NH1 C
+ 1039 32 348 350 352 353 # C NH1 CT1 HB
+ 1040 164 349 348 350 351 # H NH1 C O
+ 1041 116 349 348 350 352 # CT1 NH1 C O
+ 1042 42 350 352 354 357 # CA CT2 CT1 NH1
+ 1043 183 350 352 354 355 # HA CT2 CT1 NH1
+ 1044 183 350 352 354 356 # HA CT2 CT1 NH1
+ 1045 224 350 352 368 370 # NH1 C CT1 NH1
+ 1046 226 350 352 368 369 # NH1 CT1 C O
+ 1047 128 351 350 352 354 # CT2 CT1 NH1 H
+ 1048 18 351 350 352 368 # C CT1 NH1 H
+ 1049 165 351 350 352 353 # H NH1 CT1 HB
+ 1050 89 352 368 370 371 # CT1 C NH1 H
+ 1051 85 352 368 370 372 # CT1 C NH1 CT1
+ 1052 86 352 368 370 372 # CT1 C NH1 CT1
+ 1053 38 352 354 357 364 # CA CA CT2 CT1
+ 1054 38 352 354 357 358 # CA CA CT2 CT1
+ 1055 41 353 352 354 357 # CA CT2 CT1 HB
+ 1056 182 353 352 354 355 # HA CT2 CT1 HB
+ 1057 182 353 352 354 356 # HA CT2 CT1 HB
+ 1058 203 353 352 368 370 # HB CT1 C NH1
+ 1059 204 353 352 368 369 # HB CT1 C O
+ 1060 120 354 357 364 365 # CT2 CA CA HP
+ 1061 35 354 357 364 366 # CA CA CA CT2
+ 1062 35 354 357 358 360 # CA CA CA CT2
+ 1063 120 354 357 358 359 # CT2 CA CA HP
+ 1064 123 354 352 368 370 # CT2 CT1 C NH1
+ 1065 124 354 352 368 369 # CT2 CT1 C O
+ 1066 13 355 354 352 368 # C CT1 CT2 HA
+ 1067 39 355 354 357 364 # CA CA CT2 HA
+ 1068 39 355 354 357 358 # CA CA CT2 HA
+ 1069 13 356 354 352 368 # C CT1 CT2 HA
+ 1070 39 356 354 357 364 # CA CA CT2 HA
+ 1071 39 356 354 357 358 # CA CA CT2 HA
+ 1072 34 357 364 366 362 # CA CA CA CA
+ 1073 36 357 364 366 367 # CA CA CA HP
+ 1074 36 357 358 360 361 # CA CA CA HP
+ 1075 34 357 358 360 362 # CA CA CA CA
+ 1076 9 357 354 352 368 # C CT1 CT2 CA
+ 1077 34 358 360 362 366 # CA CA CA CA
+ 1078 36 358 360 362 363 # CA CA CA HP
+ 1079 36 358 357 364 365 # CA CA CA HP
+ 1080 34 358 357 364 366 # CA CA CA CA
+ 1081 214 359 358 360 361 # HP CA CA HP
+ 1082 36 359 358 360 362 # CA CA CA HP
+ 1083 36 359 358 357 364 # CA CA CA HP
+ 1084 34 360 362 366 364 # CA CA CA CA
+ 1085 36 360 362 366 367 # CA CA CA HP
+ 1086 34 360 358 357 364 # CA CA CA CA
+ 1087 36 361 360 362 366 # CA CA CA HP
+ 1088 214 361 360 362 363 # HP CA CA HP
+ 1089 36 362 366 364 365 # CA CA CA HP
+ 1090 36 363 362 366 364 # CA CA CA HP
+ 1091 214 363 362 366 367 # HP CA CA HP
+ 1092 214 365 364 366 367 # HP CA CA HP
+ 1093 30 368 370 372 374 # C NH1 CT1 CT2
+ 1094 17 368 370 372 389 # C CT1 NH1 C
+ 1095 32 368 370 372 373 # C NH1 CT1 HB
+ 1096 164 369 368 370 371 # H NH1 C O
+ 1097 116 369 368 370 372 # CT1 NH1 C O
+ 1098 42 370 372 374 377 # CA CT2 CT1 NH1
+ 1099 183 370 372 374 375 # HA CT2 CT1 NH1
+ 1100 183 370 372 374 376 # HA CT2 CT1 NH1
+ 1101 224 370 372 389 391 # NH1 C CT1 NH1
+ 1102 226 370 372 389 390 # NH1 CT1 C O
+ 1103 128 371 370 372 374 # CT2 CT1 NH1 H
+ 1104 18 371 370 372 389 # C CT1 NH1 H
+ 1105 165 371 370 372 373 # H NH1 CT1 HB
+ 1106 89 372 389 391 392 # CT1 C NH1 H
+ 1107 85 372 389 391 393 # CT1 C NH1 CT1
+ 1108 86 372 389 391 393 # CT1 C NH1 CT1
+ 1109 38 372 374 377 385 # CA CA CT2 CT1
+ 1110 38 372 374 377 378 # CA CA CT2 CT1
+ 1111 41 373 372 374 377 # CA CT2 CT1 HB
+ 1112 182 373 372 374 375 # HA CT2 CT1 HB
+ 1113 182 373 372 374 376 # HA CT2 CT1 HB
+ 1114 203 373 372 389 391 # HB CT1 C NH1
+ 1115 204 373 372 389 390 # HB CT1 C O
+ 1116 120 374 377 385 386 # CT2 CA CA HP
+ 1117 35 374 377 385 387 # CA CA CA CT2
+ 1118 35 374 377 378 380 # CA CA CA CT2
+ 1119 120 374 377 378 379 # CT2 CA CA HP
+ 1120 123 374 372 389 391 # CT2 CT1 C NH1
+ 1121 124 374 372 389 390 # CT2 CT1 C O
+ 1122 13 375 374 372 389 # C CT1 CT2 HA
+ 1123 39 375 374 377 385 # CA CA CT2 HA
+ 1124 39 375 374 377 378 # CA CA CT2 HA
+ 1125 13 376 374 372 389 # C CT1 CT2 HA
+ 1126 39 376 374 377 385 # CA CA CT2 HA
+ 1127 39 376 374 377 378 # CA CA CT2 HA
+ 1128 34 377 385 387 382 # CA CA CA CA
+ 1129 36 377 385 387 388 # CA CA CA HP
+ 1130 36 377 378 380 381 # CA CA CA HP
+ 1131 34 377 378 380 382 # CA CA CA CA
+ 1132 9 377 374 372 389 # C CT1 CT2 CA
+ 1133 34 378 380 382 387 # CA CA CA CA
+ 1134 37 378 380 382 383 # CA CA CA OH1
+ 1135 36 378 377 385 386 # CA CA CA HP
+ 1136 34 378 377 385 387 # CA CA CA CA
+ 1137 214 379 378 380 381 # HP CA CA HP
+ 1138 36 379 378 380 382 # CA CA CA HP
+ 1139 36 379 378 377 385 # CA CA CA HP
+ 1140 36 380 382 387 388 # CA CA CA HP
+ 1141 34 380 382 387 385 # CA CA CA CA
+ 1142 40 380 382 383 384 # CA CA OH1 H
+ 1143 34 380 378 377 385 # CA CA CA CA
+ 1144 36 381 380 382 387 # CA CA CA HP
+ 1145 215 381 380 382 383 # HP CA CA OH1
+ 1146 36 382 387 385 386 # CA CA CA HP
+ 1147 215 383 382 387 388 # HP CA CA OH1
+ 1148 37 383 382 387 385 # CA CA CA OH1
+ 1149 40 384 383 382 387 # CA CA OH1 H
+ 1150 214 386 385 387 388 # HP CA CA HP
+ 1151 30 389 391 393 395 # C NH1 CT1 CT2
+ 1152 17 389 391 393 403 # C CT1 NH1 C
+ 1153 32 389 391 393 394 # C NH1 CT1 HB
+ 1154 164 390 389 391 392 # H NH1 C O
+ 1155 116 390 389 391 393 # CT1 NH1 C O
+ 1156 46 391 393 395 398 # CC CT2 CT1 NH1
+ 1157 183 391 393 395 396 # HA CT2 CT1 NH1
+ 1158 183 391 393 395 397 # HA CT2 CT1 NH1
+ 1159 224 391 393 403 405 # NH1 C CT1 NH1
+ 1160 226 391 393 403 404 # NH1 CT1 C O
+ 1161 128 392 391 393 395 # CT2 CT1 NH1 H
+ 1162 18 392 391 393 403 # C CT1 NH1 H
+ 1163 165 392 391 393 394 # H NH1 CT1 HB
+ 1164 89 393 403 405 406 # CT1 C NH1 H
+ 1165 85 393 403 405 407 # CT1 C NH1 CT1
+ 1166 86 393 403 405 407 # CT1 C NH1 CT1
+ 1167 99 393 395 398 400 # CT1 CT2 CC NH2
+ 1168 100 393 395 398 399 # CT1 CT2 CC O
+ 1169 45 394 393 395 398 # CC CT2 CT1 HB
+ 1170 182 394 393 395 396 # HA CT2 CT1 HB
+ 1171 182 394 393 395 397 # HA CT2 CT1 HB
+ 1172 203 394 393 403 405 # HB CT1 C NH1
+ 1173 204 394 393 403 404 # HB CT1 C O
+ 1174 121 395 398 400 401 # CT2 CC NH2 H
+ 1175 121 395 398 400 402 # CT2 CC NH2 H
+ 1176 123 395 393 403 405 # CT2 CT1 C NH1
+ 1177 124 395 393 403 404 # CT2 CT1 C O
+ 1178 13 396 395 393 403 # C CT1 CT2 HA
+ 1179 179 396 395 398 400 # HA CT2 CC NH2
+ 1180 180 396 395 398 399 # HA CT2 CC O
+ 1181 13 397 395 393 403 # C CT1 CT2 HA
+ 1182 179 397 395 398 400 # HA CT2 CC NH2
+ 1183 180 397 395 398 399 # HA CT2 CC O
+ 1184 10 398 395 393 403 # C CT1 CT2 CC
+ 1185 167 399 398 400 401 # H NH2 CC O
+ 1186 167 399 398 400 402 # H NH2 CC O
+ 1187 31 403 405 407 409 # C NH1 CT1 CT3
+ 1188 17 403 405 407 413 # C CT1 NH1 C
+ 1189 32 403 405 407 408 # C NH1 CT1 HB
+ 1190 164 404 403 405 406 # H NH1 C O
+ 1191 116 404 403 405 407 # CT1 NH1 C O
+ 1192 194 405 407 409 410 # HA CT3 CT1 NH1
+ 1193 194 405 407 409 411 # HA CT3 CT1 NH1
+ 1194 194 405 407 409 412 # HA CT3 CT1 NH1
+ 1195 224 405 407 413 415 # NH1 C CT1 NH1
+ 1196 226 405 407 413 414 # NH1 CT1 C O
+ 1197 158 406 405 407 409 # CT3 CT1 NH1 H
+ 1198 18 406 405 407 413 # C CT1 NH1 H
+ 1199 165 406 405 407 408 # H NH1 CT1 HB
+ 1200 89 407 413 415 416 # CT1 C NH1 H
+ 1201 85 407 413 415 417 # CT1 C NH1 CT1
+ 1202 86 407 413 415 417 # CT1 C NH1 CT1
+ 1203 193 408 407 409 410 # HA CT3 CT1 HB
+ 1204 193 408 407 409 411 # HA CT3 CT1 HB
+ 1205 193 408 407 409 412 # HA CT3 CT1 HB
+ 1206 203 408 407 413 415 # HB CT1 C NH1
+ 1207 204 408 407 413 414 # HB CT1 C O
+ 1208 150 409 407 413 415 # CT3 CT1 C NH1
+ 1209 151 409 407 413 414 # CT3 CT1 C O
+ 1210 16 410 409 407 413 # C CT1 CT3 HA
+ 1211 16 411 409 407 413 # C CT1 CT3 HA
+ 1212 16 412 409 407 413 # C CT1 CT3 HA
+ 1213 30 413 415 417 419 # C NH1 CT1 CT2
+ 1214 17 413 415 417 435 # C CT1 NH1 C
+ 1215 32 413 415 417 418 # C NH1 CT1 HB
+ 1216 164 414 413 415 416 # H NH1 C O
+ 1217 116 414 413 415 417 # CT1 NH1 C O
+ 1218 134 415 417 419 422 # CT2 CT2 CT1 NH1
+ 1219 183 415 417 419 420 # HA CT2 CT1 NH1
+ 1220 183 415 417 419 421 # HA CT2 CT1 NH1
+ 1221 224 415 417 435 437 # NH1 C CT1 NH1
+ 1222 226 415 417 435 436 # NH1 CT1 C O
+ 1223 128 416 415 417 419 # CT2 CT1 NH1 H
+ 1224 18 416 415 417 435 # C CT1 NH1 H
+ 1225 165 416 415 417 418 # H NH1 CT1 HB
+ 1226 89 417 435 437 438 # CT1 C NH1 H
+ 1227 85 417 435 437 439 # CT1 C NH1 CT1
+ 1228 86 417 435 437 439 # CT1 C NH1 CT1
+ 1229 106 417 419 422 425 # CT1 CT2 CT2 CT2
+ 1230 107 417 419 422 423 # CT1 CT2 CT2 HA
+ 1231 107 417 419 422 424 # CT1 CT2 CT2 HA
+ 1232 133 418 417 419 422 # CT2 CT2 CT1 HB
+ 1233 182 418 417 419 420 # HA CT2 CT1 HB
+ 1234 182 418 417 419 421 # HA CT2 CT1 HB
+ 1235 203 418 417 435 437 # HB CT1 C NH1
+ 1236 204 418 417 435 436 # HB CT1 C O
+ 1237 136 419 422 425 428 # CT2 CT2 CT2 CT2
+ 1238 137 419 422 425 426 # CT2 CT2 CT2 HA
+ 1239 137 419 422 425 427 # CT2 CT2 CT2 HA
+ 1240 123 419 417 435 437 # CT2 CT1 C NH1
+ 1241 124 419 417 435 436 # CT2 CT1 C O
+ 1242 13 420 419 417 435 # C CT1 CT2 HA
+ 1243 137 420 419 422 425 # CT2 CT2 CT2 HA
+ 1244 185 420 419 422 423 # HA CT2 CT2 HA
+ 1245 185 420 419 422 424 # HA CT2 CT2 HA
+ 1246 13 421 419 417 435 # C CT1 CT2 HA
+ 1247 137 421 419 422 425 # CT2 CT2 CT2 HA
+ 1248 185 421 419 422 423 # HA CT2 CT2 HA
+ 1249 185 421 419 422 424 # HA CT2 CT2 HA
+ 1250 139 422 425 428 431 # CT2 CT2 CT2 NH3
+ 1251 137 422 425 428 429 # CT2 CT2 CT2 HA
+ 1252 137 422 425 428 430 # CT2 CT2 CT2 HA
+ 1253 12 422 419 417 435 # C CT1 CT2 CT2
+ 1254 137 423 422 425 428 # CT2 CT2 CT2 HA
+ 1255 185 423 422 425 426 # HA CT2 CT2 HA
+ 1256 185 423 422 425 427 # HA CT2 CT2 HA
+ 1257 137 424 422 425 428 # CT2 CT2 CT2 HA
+ 1258 185 424 422 425 426 # HA CT2 CT2 HA
+ 1259 185 424 422 425 427 # HA CT2 CT2 HA
+ 1260 141 425 428 431 432 # CT2 CT2 NH3 HC
+ 1261 141 425 428 431 433 # CT2 CT2 NH3 HC
+ 1262 141 425 428 431 434 # CT2 CT2 NH3 HC
+ 1263 187 426 425 428 431 # HA CT2 CT2 NH3
+ 1264 185 426 425 428 429 # HA CT2 CT2 HA
+ 1265 185 426 425 428 430 # HA CT2 CT2 HA
+ 1266 187 427 425 428 431 # HA CT2 CT2 NH3
+ 1267 185 427 425 428 429 # HA CT2 CT2 HA
+ 1268 185 427 425 428 430 # HA CT2 CT2 HA
+ 1269 191 429 428 431 432 # HA CT2 NH3 HC
+ 1270 191 429 428 431 433 # HA CT2 NH3 HC
+ 1271 191 429 428 431 434 # HA CT2 NH3 HC
+ 1272 191 430 428 431 432 # HA CT2 NH3 HC
+ 1273 191 430 428 431 433 # HA CT2 NH3 HC
+ 1274 191 430 428 431 434 # HA CT2 NH3 HC
+ 1275 31 435 437 439 441 # C NH1 CT1 CT3
+ 1276 17 435 437 439 445 # C CT1 NH1 C
+ 1277 32 435 437 439 440 # C NH1 CT1 HB
+ 1278 164 436 435 437 438 # H NH1 C O
+ 1279 116 436 435 437 439 # CT1 NH1 C O
+ 1280 194 437 439 441 442 # HA CT3 CT1 NH1
+ 1281 194 437 439 441 443 # HA CT3 CT1 NH1
+ 1282 194 437 439 441 444 # HA CT3 CT1 NH1
+ 1283 224 437 439 445 447 # NH1 C CT1 NH1
+ 1284 226 437 439 445 446 # NH1 CT1 C O
+ 1285 158 438 437 439 441 # CT3 CT1 NH1 H
+ 1286 18 438 437 439 445 # C CT1 NH1 H
+ 1287 165 438 437 439 440 # H NH1 CT1 HB
+ 1288 89 439 445 447 448 # CT1 C NH1 H
+ 1289 87 439 445 447 449 # CT1 C NH1 CT2
+ 1290 88 439 445 447 449 # CT1 C NH1 CT2
+ 1291 193 440 439 441 442 # HA CT3 CT1 HB
+ 1292 193 440 439 441 443 # HA CT3 CT1 HB
+ 1293 193 440 439 441 444 # HA CT3 CT1 HB
+ 1294 203 440 439 445 447 # HB CT1 C NH1
+ 1295 204 440 439 445 446 # HB CT1 C O
+ 1296 150 441 439 445 447 # CT3 CT1 C NH1
+ 1297 151 441 439 445 446 # CT3 CT1 C O
+ 1298 16 442 441 439 445 # C CT1 CT3 HA
+ 1299 16 443 441 439 445 # C CT1 CT3 HA
+ 1300 16 444 441 439 445 # C CT1 CT3 HA
+ 1301 20 445 447 449 452 # C CT2 NH1 C
+ 1302 33 445 447 449 450 # C NH1 CT2 HB
+ 1303 33 445 447 449 451 # C NH1 CT2 HB
+ 1304 164 446 445 447 448 # H NH1 C O
+ 1305 145 446 445 447 449 # CT2 NH1 C O
+ 1306 225 447 449 452 454 # NH1 C CT2 NH1
+ 1307 231 447 449 452 453 # NH1 CT2 C O
+ 1308 21 448 447 449 452 # C CT2 NH1 H
+ 1309 166 448 447 449 450 # H NH1 CT2 HB
+ 1310 166 448 447 449 451 # H NH1 CT2 HB
+ 1311 119 449 452 454 455 # CT2 C NH1 H
+ 1312 114 449 452 454 456 # CT1 NH1 C CT2
+ 1313 115 449 452 454 456 # CT1 NH1 C CT2
+ 1314 211 450 449 452 454 # HB CT2 C NH1
+ 1315 212 450 449 452 453 # HB CT2 C O
+ 1316 211 451 449 452 454 # HB CT2 C NH1
+ 1317 212 451 449 452 453 # HB CT2 C O
+ 1318 30 452 454 456 458 # C NH1 CT1 CT2
+ 1319 17 452 454 456 471 # C CT1 NH1 C
+ 1320 32 452 454 456 457 # C NH1 CT1 HB
+ 1321 164 453 452 454 455 # H NH1 C O
+ 1322 116 453 452 454 456 # CT1 NH1 C O
+ 1323 105 454 456 458 461 # CT1 CT2 CT1 NH1
+ 1324 183 454 456 458 459 # HA CT2 CT1 NH1
+ 1325 183 454 456 458 460 # HA CT2 CT1 NH1
+ 1326 224 454 456 471 473 # NH1 C CT1 NH1
+ 1327 226 454 456 471 472 # NH1 CT1 C O
+ 1328 128 455 454 456 458 # CT2 CT1 NH1 H
+ 1329 18 455 454 456 471 # C CT1 NH1 H
+ 1330 165 455 454 456 457 # H NH1 CT1 HB
+ 1331 89 456 471 473 474 # CT1 C NH1 H
+ 1332 85 456 471 473 475 # CT1 C NH1 CT1
+ 1333 86 456 471 473 475 # CT1 C NH1 CT1
+ 1334 102 456 458 461 463 # CT1 CT2 CT1 CT3
+ 1335 102 456 458 461 467 # CT1 CT2 CT1 CT3
+ 1336 103 456 458 461 462 # CT1 CT2 CT1 HA
+ 1337 104 457 456 458 461 # CT1 CT2 CT1 HB
+ 1338 182 457 456 458 459 # HA CT2 CT1 HB
+ 1339 182 457 456 458 460 # HA CT2 CT1 HB
+ 1340 203 457 456 471 473 # HB CT1 C NH1
+ 1341 204 457 456 471 472 # HB CT1 C O
+ 1342 127 458 461 463 464 # CT2 CT1 CT3 HA
+ 1343 127 458 461 463 465 # CT2 CT1 CT3 HA
+ 1344 127 458 461 463 466 # CT2 CT1 CT3 HA
+ 1345 127 458 461 467 468 # CT2 CT1 CT3 HA
+ 1346 127 458 461 467 469 # CT2 CT1 CT3 HA
+ 1347 127 458 461 467 470 # CT2 CT1 CT3 HA
+ 1348 123 458 456 471 473 # CT2 CT1 C NH1
+ 1349 124 458 456 471 472 # CT2 CT1 C O
+ 1350 13 459 458 456 471 # C CT1 CT2 HA
+ 1351 156 459 458 461 463 # CT3 CT1 CT2 HA
+ 1352 156 459 458 461 467 # CT3 CT1 CT2 HA
+ 1353 177 459 458 461 462 # HA CT1 CT2 HA
+ 1354 13 460 458 456 471 # C CT1 CT2 HA
+ 1355 156 460 458 461 463 # CT3 CT1 CT2 HA
+ 1356 156 460 458 461 467 # CT3 CT1 CT2 HA
+ 1357 177 460 458 461 462 # HA CT1 CT2 HA
+ 1358 11 461 458 456 471 # C CT1 CT2 CT1
+ 1359 178 462 461 463 464 # HA CT1 CT3 HA
+ 1360 178 462 461 463 465 # HA CT1 CT3 HA
+ 1361 178 462 461 463 466 # HA CT1 CT3 HA
+ 1362 178 462 461 467 468 # HA CT1 CT3 HA
+ 1363 178 462 461 467 469 # HA CT1 CT3 HA
+ 1364 178 462 461 467 470 # HA CT1 CT3 HA
+ 1365 157 463 461 467 468 # CT3 CT1 CT3 HA
+ 1366 157 463 461 467 469 # CT3 CT1 CT3 HA
+ 1367 157 463 461 467 470 # CT3 CT1 CT3 HA
+ 1368 157 464 463 461 467 # CT3 CT1 CT3 HA
+ 1369 157 465 463 461 467 # CT3 CT1 CT3 HA
+ 1370 157 466 463 461 467 # CT3 CT1 CT3 HA
+ 1371 30 471 473 475 477 # C NH1 CT1 CT2
+ 1372 17 471 473 475 481 # C CT1 NH1 C
+ 1373 32 471 473 475 476 # C NH1 CT1 HB
+ 1374 164 472 471 473 474 # H NH1 C O
+ 1375 116 472 471 473 475 # CT1 NH1 C O
+ 1376 230 473 475 477 480 # NH1 CT1 CT2 SM
+ 1377 183 473 475 477 478 # HA CT2 CT1 NH1
+ 1378 183 473 475 477 479 # HA CT2 CT1 NH1
+ 1379 224 473 475 481 483 # NH1 C CT1 NH1
+ 1380 226 473 475 481 482 # NH1 CT1 C O
+ 1381 128 474 473 475 477 # CT2 CT1 NH1 H
+ 1382 18 474 473 475 481 # C CT1 NH1 H
+ 1383 165 474 473 475 476 # H NH1 CT1 HB
+ 1384 113 475 477 480 800 # CT1 CT2 SM SM
+ 1385 89 475 481 483 484 # CT1 C NH1 H
+ 1386 85 475 481 483 485 # CT1 C NH1 CT1
+ 1387 86 475 481 483 485 # CT1 C NH1 CT1
+ 1388 208 476 475 477 480 # HB CT1 CT2 SM
+ 1389 182 476 475 477 478 # HA CT2 CT1 HB
+ 1390 182 476 475 477 479 # HA CT2 CT1 HB
+ 1391 203 476 475 481 483 # HB CT1 C NH1
+ 1392 204 476 475 481 482 # HB CT1 C O
+ 1393 147 477 480 800 797 # CT2 SM SM CT2
+ 1394 148 477 480 800 797 # CT2 SM SM CT2
+ 1395 149 477 480 800 797 # CT2 SM SM CT2
+ 1396 123 477 475 481 483 # CT2 CT1 C NH1
+ 1397 124 477 475 481 482 # CT2 CT1 C O
+ 1398 192 478 477 480 800 # HA CT2 SM SM
+ 1399 13 478 477 475 481 # C CT1 CT2 HA
+ 1400 192 479 477 480 800 # HA CT2 SM SM
+ 1401 13 479 477 475 481 # C CT1 CT2 HA
+ 1402 113 480 800 797 795 # CT1 CT2 SM SM
+ 1403 15 480 477 475 481 # C CT1 CT2 SM
+ 1404 30 481 483 485 487 # C NH1 CT1 CT2
+ 1405 17 481 483 485 498 # C CT1 NH1 C
+ 1406 32 481 483 485 486 # C NH1 CT1 HB
+ 1407 164 482 481 483 484 # H NH1 C O
+ 1408 116 482 481 483 485 # CT1 NH1 C O
+ 1409 134 483 485 487 490 # CT2 CT2 CT1 NH1
+ 1410 183 483 485 487 488 # HA CT2 CT1 NH1
+ 1411 183 483 485 487 489 # HA CT2 CT1 NH1
+ 1412 224 483 485 498 500 # NH1 C CT1 NH1
+ 1413 226 483 485 498 499 # NH1 CT1 C O
+ 1414 128 484 483 485 487 # CT2 CT1 NH1 H
+ 1415 18 484 483 485 498 # C CT1 NH1 H
+ 1416 165 484 483 485 486 # H NH1 CT1 HB
+ 1417 89 485 498 500 501 # CT1 C NH1 H
+ 1418 85 485 498 500 502 # CT1 C NH1 CT1
+ 1419 86 485 498 500 502 # CT1 C NH1 CT1
+ 1420 47 485 487 490 493 # CC CT2 CT2 CT1
+ 1421 107 485 487 490 491 # CT1 CT2 CT2 HA
+ 1422 107 485 487 490 492 # CT1 CT2 CT2 HA
+ 1423 133 486 485 487 490 # CT2 CT2 CT1 HB
+ 1424 182 486 485 487 488 # HA CT2 CT1 HB
+ 1425 182 486 485 487 489 # HA CT2 CT1 HB
+ 1426 203 486 485 498 500 # HB CT1 C NH1
+ 1427 204 486 485 498 499 # HB CT1 C O
+ 1428 130 487 490 493 495 # CT2 CT2 CC NH2
+ 1429 131 487 490 493 494 # CT2 CT2 CC O
+ 1430 123 487 485 498 500 # CT2 CT1 C NH1
+ 1431 124 487 485 498 499 # CT2 CT1 C O
+ 1432 13 488 487 485 498 # C CT1 CT2 HA
+ 1433 48 488 487 490 493 # CC CT2 CT2 HA
+ 1434 185 488 487 490 491 # HA CT2 CT2 HA
+ 1435 185 488 487 490 492 # HA CT2 CT2 HA
+ 1436 13 489 487 485 498 # C CT1 CT2 HA
+ 1437 48 489 487 490 493 # CC CT2 CT2 HA
+ 1438 185 489 487 490 491 # HA CT2 CT2 HA
+ 1439 185 489 487 490 492 # HA CT2 CT2 HA
+ 1440 121 490 493 495 496 # CT2 CC NH2 H
+ 1441 121 490 493 495 497 # CT2 CC NH2 H
+ 1442 12 490 487 485 498 # C CT1 CT2 CT2
+ 1443 179 491 490 493 495 # HA CT2 CC NH2
+ 1444 180 491 490 493 494 # HA CT2 CC O
+ 1445 179 492 490 493 495 # HA CT2 CC NH2
+ 1446 180 492 490 493 494 # HA CT2 CC O
+ 1447 167 494 493 495 496 # H NH2 CC O
+ 1448 167 494 493 495 497 # H NH2 CC O
+ 1449 29 498 500 502 504 # C NH1 CT1 CT1
+ 1450 17 498 500 502 512 # C CT1 NH1 C
+ 1451 32 498 500 502 503 # C NH1 CT1 HB
+ 1452 164 499 498 500 501 # H NH1 C O
+ 1453 116 499 498 500 502 # CT1 NH1 C O
+ 1454 228 500 502 504 506 # NH1 CT1 CT1 OH1
+ 1455 154 500 502 504 508 # CT3 CT1 CT1 NH1
+ 1456 176 500 502 504 505 # HA CT1 CT1 NH1
+ 1457 224 500 502 512 514 # NH1 C CT1 NH1
+ 1458 226 500 502 512 513 # NH1 CT1 C O
+ 1459 95 501 500 502 504 # CT1 CT1 NH1 H
+ 1460 18 501 500 502 512 # C CT1 NH1 H
+ 1461 165 501 500 502 503 # H NH1 CT1 HB
+ 1462 89 502 512 514 515 # CT1 C NH1 H
+ 1463 85 502 512 514 516 # CT1 C NH1 CT1
+ 1464 86 502 512 514 516 # CT1 C NH1 CT1
+ 1465 96 502 504 506 507 # CT1 CT1 OH1 H
+ 1466 97 502 504 506 507 # CT1 CT1 OH1 H
+ 1467 98 502 504 506 507 # CT1 CT1 OH1 H
+ 1468 94 502 504 508 509 # CT1 CT1 CT3 HA
+ 1469 94 502 504 508 510 # CT1 CT1 CT3 HA
+ 1470 94 502 504 508 511 # CT1 CT1 CT3 HA
+ 1471 206 503 502 504 506 # HB CT1 CT1 OH1
+ 1472 153 503 502 504 508 # CT3 CT1 CT1 HB
+ 1473 175 503 502 504 505 # HA CT1 CT1 HB
+ 1474 203 503 502 512 514 # HB CT1 C NH1
+ 1475 204 503 502 512 513 # HB CT1 C O
+ 1476 90 504 502 512 514 # CT1 CT1 C NH1
+ 1477 91 504 502 512 513 # CT1 CT1 C O
+ 1478 7 505 504 502 512 # C CT1 CT1 HA
+ 1479 168 505 504 506 507 # H OH1 CT1 HA
+ 1480 178 505 504 508 509 # HA CT1 CT3 HA
+ 1481 178 505 504 508 510 # HA CT1 CT3 HA
+ 1482 178 505 504 508 511 # HA CT1 CT3 HA
+ 1483 8 506 504 502 512 # C CT1 CT1 OH1
+ 1484 195 506 504 508 509 # HA CT3 CT1 OH1
+ 1485 195 506 504 508 510 # HA CT3 CT1 OH1
+ 1486 195 506 504 508 511 # HA CT3 CT1 OH1
+ 1487 159 507 506 504 508 # CT3 CT1 OH1 H
+ 1488 160 507 506 504 508 # CT3 CT1 OH1 H
+ 1489 161 507 506 504 508 # CT3 CT1 OH1 H
+ 1490 6 508 504 502 512 # C CT1 CT1 CT3
+ 1491 30 512 514 516 518 # C NH1 CT1 CT2
+ 1492 17 512 514 516 532 # C CT1 NH1 C
+ 1493 32 512 514 516 517 # C NH1 CT1 HB
+ 1494 164 513 512 514 515 # H NH1 C O
+ 1495 116 513 512 514 516 # CT1 NH1 C O
+ 1496 42 514 516 518 521 # CA CT2 CT1 NH1
+ 1497 183 514 516 518 519 # HA CT2 CT1 NH1
+ 1498 183 514 516 518 520 # HA CT2 CT1 NH1
+ 1499 224 514 516 532 534 # NH1 C CT1 NH1
+ 1500 226 514 516 532 533 # NH1 CT1 C O
+ 1501 128 515 514 516 518 # CT2 CT1 NH1 H
+ 1502 18 515 514 516 532 # C CT1 NH1 H
+ 1503 165 515 514 516 517 # H NH1 CT1 HB
+ 1504 89 516 532 534 535 # CT1 C NH1 H
+ 1505 85 516 532 534 536 # CT1 C NH1 CT1
+ 1506 86 516 532 534 536 # CT1 C NH1 CT1
+ 1507 38 516 518 521 528 # CA CA CT2 CT1
+ 1508 38 516 518 521 522 # CA CA CT2 CT1
+ 1509 41 517 516 518 521 # CA CT2 CT1 HB
+ 1510 182 517 516 518 519 # HA CT2 CT1 HB
+ 1511 182 517 516 518 520 # HA CT2 CT1 HB
+ 1512 203 517 516 532 534 # HB CT1 C NH1
+ 1513 204 517 516 532 533 # HB CT1 C O
+ 1514 120 518 521 528 529 # CT2 CA CA HP
+ 1515 35 518 521 528 530 # CA CA CA CT2
+ 1516 35 518 521 522 524 # CA CA CA CT2
+ 1517 120 518 521 522 523 # CT2 CA CA HP
+ 1518 123 518 516 532 534 # CT2 CT1 C NH1
+ 1519 124 518 516 532 533 # CT2 CT1 C O
+ 1520 13 519 518 516 532 # C CT1 CT2 HA
+ 1521 39 519 518 521 528 # CA CA CT2 HA
+ 1522 39 519 518 521 522 # CA CA CT2 HA
+ 1523 13 520 518 516 532 # C CT1 CT2 HA
+ 1524 39 520 518 521 528 # CA CA CT2 HA
+ 1525 39 520 518 521 522 # CA CA CT2 HA
+ 1526 34 521 528 530 526 # CA CA CA CA
+ 1527 36 521 528 530 531 # CA CA CA HP
+ 1528 36 521 522 524 525 # CA CA CA HP
+ 1529 34 521 522 524 526 # CA CA CA CA
+ 1530 9 521 518 516 532 # C CT1 CT2 CA
+ 1531 34 522 524 526 530 # CA CA CA CA
+ 1532 36 522 524 526 527 # CA CA CA HP
+ 1533 36 522 521 528 529 # CA CA CA HP
+ 1534 34 522 521 528 530 # CA CA CA CA
+ 1535 214 523 522 524 525 # HP CA CA HP
+ 1536 36 523 522 524 526 # CA CA CA HP
+ 1537 36 523 522 521 528 # CA CA CA HP
+ 1538 34 524 526 530 528 # CA CA CA CA
+ 1539 36 524 526 530 531 # CA CA CA HP
+ 1540 34 524 522 521 528 # CA CA CA CA
+ 1541 36 525 524 526 530 # CA CA CA HP
+ 1542 214 525 524 526 527 # HP CA CA HP
+ 1543 36 526 530 528 529 # CA CA CA HP
+ 1544 36 527 526 530 528 # CA CA CA HP
+ 1545 214 527 526 530 531 # HP CA CA HP
+ 1546 214 529 528 530 531 # HP CA CA HP
+ 1547 29 532 534 536 538 # C NH1 CT1 CT1
+ 1548 17 532 534 536 548 # C CT1 NH1 C
+ 1549 32 532 534 536 537 # C NH1 CT1 HB
+ 1550 164 533 532 534 535 # H NH1 C O
+ 1551 116 533 532 534 536 # CT1 NH1 C O
+ 1552 154 534 536 538 540 # CT3 CT1 CT1 NH1
+ 1553 154 534 536 538 544 # CT3 CT1 CT1 NH1
+ 1554 176 534 536 538 539 # HA CT1 CT1 NH1
+ 1555 224 534 536 548 550 # NH1 C CT1 NH1
+ 1556 226 534 536 548 549 # NH1 CT1 C O
+ 1557 95 535 534 536 538 # CT1 CT1 NH1 H
+ 1558 18 535 534 536 548 # C CT1 NH1 H
+ 1559 165 535 534 536 537 # H NH1 CT1 HB
+ 1560 89 536 548 550 551 # CT1 C NH1 H
+ 1561 85 536 548 550 552 # CT1 C NH1 CT1
+ 1562 86 536 548 550 552 # CT1 C NH1 CT1
+ 1563 94 536 538 540 541 # CT1 CT1 CT3 HA
+ 1564 94 536 538 540 542 # CT1 CT1 CT3 HA
+ 1565 94 536 538 540 543 # CT1 CT1 CT3 HA
+ 1566 94 536 538 544 545 # CT1 CT1 CT3 HA
+ 1567 94 536 538 544 546 # CT1 CT1 CT3 HA
+ 1568 94 536 538 544 547 # CT1 CT1 CT3 HA
+ 1569 153 537 536 538 540 # CT3 CT1 CT1 HB
+ 1570 153 537 536 538 544 # CT3 CT1 CT1 HB
+ 1571 175 537 536 538 539 # HA CT1 CT1 HB
+ 1572 203 537 536 548 550 # HB CT1 C NH1
+ 1573 204 537 536 548 549 # HB CT1 C O
+ 1574 90 538 536 548 550 # CT1 CT1 C NH1
+ 1575 91 538 536 548 549 # CT1 CT1 C O
+ 1576 7 539 538 536 548 # C CT1 CT1 HA
+ 1577 178 539 538 540 541 # HA CT1 CT3 HA
+ 1578 178 539 538 540 542 # HA CT1 CT3 HA
+ 1579 178 539 538 540 543 # HA CT1 CT3 HA
+ 1580 178 539 538 544 545 # HA CT1 CT3 HA
+ 1581 178 539 538 544 546 # HA CT1 CT3 HA
+ 1582 178 539 538 544 547 # HA CT1 CT3 HA
+ 1583 6 540 538 536 548 # C CT1 CT1 CT3
+ 1584 157 540 538 544 545 # CT3 CT1 CT3 HA
+ 1585 157 540 538 544 546 # CT3 CT1 CT3 HA
+ 1586 157 540 538 544 547 # CT3 CT1 CT3 HA
+ 1587 157 541 540 538 544 # CT3 CT1 CT3 HA
+ 1588 157 542 540 538 544 # CT3 CT1 CT3 HA
+ 1589 157 543 540 538 544 # CT3 CT1 CT3 HA
+ 1590 6 544 538 536 548 # C CT1 CT1 CT3
+ 1591 30 548 550 552 554 # C NH1 CT1 CT2
+ 1592 17 548 550 552 569 # C CT1 NH1 C
+ 1593 32 548 550 552 553 # C NH1 CT1 HB
+ 1594 164 549 548 550 551 # H NH1 C O
+ 1595 116 549 548 550 552 # CT1 NH1 C O
+ 1596 42 550 552 554 557 # CA CT2 CT1 NH1
+ 1597 183 550 552 554 555 # HA CT2 CT1 NH1
+ 1598 183 550 552 554 556 # HA CT2 CT1 NH1
+ 1599 224 550 552 569 571 # NH1 C CT1 NH1
+ 1600 226 550 552 569 570 # NH1 CT1 C O
+ 1601 128 551 550 552 554 # CT2 CT1 NH1 H
+ 1602 18 551 550 552 569 # C CT1 NH1 H
+ 1603 165 551 550 552 553 # H NH1 CT1 HB
+ 1604 89 552 569 571 572 # CT1 C NH1 H
+ 1605 87 552 569 571 573 # CT1 C NH1 CT2
+ 1606 88 552 569 571 573 # CT1 C NH1 CT2
+ 1607 38 552 554 557 565 # CA CA CT2 CT1
+ 1608 38 552 554 557 558 # CA CA CT2 CT1
+ 1609 41 553 552 554 557 # CA CT2 CT1 HB
+ 1610 182 553 552 554 555 # HA CT2 CT1 HB
+ 1611 182 553 552 554 556 # HA CT2 CT1 HB
+ 1612 203 553 552 569 571 # HB CT1 C NH1
+ 1613 204 553 552 569 570 # HB CT1 C O
+ 1614 120 554 557 565 566 # CT2 CA CA HP
+ 1615 35 554 557 565 567 # CA CA CA CT2
+ 1616 35 554 557 558 560 # CA CA CA CT2
+ 1617 120 554 557 558 559 # CT2 CA CA HP
+ 1618 123 554 552 569 571 # CT2 CT1 C NH1
+ 1619 124 554 552 569 570 # CT2 CT1 C O
+ 1620 13 555 554 552 569 # C CT1 CT2 HA
+ 1621 39 555 554 557 565 # CA CA CT2 HA
+ 1622 39 555 554 557 558 # CA CA CT2 HA
+ 1623 13 556 554 552 569 # C CT1 CT2 HA
+ 1624 39 556 554 557 565 # CA CA CT2 HA
+ 1625 39 556 554 557 558 # CA CA CT2 HA
+ 1626 34 557 565 567 562 # CA CA CA CA
+ 1627 36 557 565 567 568 # CA CA CA HP
+ 1628 36 557 558 560 561 # CA CA CA HP
+ 1629 34 557 558 560 562 # CA CA CA CA
+ 1630 9 557 554 552 569 # C CT1 CT2 CA
+ 1631 34 558 560 562 567 # CA CA CA CA
+ 1632 37 558 560 562 563 # CA CA CA OH1
+ 1633 36 558 557 565 566 # CA CA CA HP
+ 1634 34 558 557 565 567 # CA CA CA CA
+ 1635 214 559 558 560 561 # HP CA CA HP
+ 1636 36 559 558 560 562 # CA CA CA HP
+ 1637 36 559 558 557 565 # CA CA CA HP
+ 1638 36 560 562 567 568 # CA CA CA HP
+ 1639 34 560 562 567 565 # CA CA CA CA
+ 1640 40 560 562 563 564 # CA CA OH1 H
+ 1641 34 560 558 557 565 # CA CA CA CA
+ 1642 36 561 560 562 567 # CA CA CA HP
+ 1643 215 561 560 562 563 # HP CA CA OH1
+ 1644 36 562 567 565 566 # CA CA CA HP
+ 1645 215 563 562 567 568 # HP CA CA OH1
+ 1646 37 563 562 567 565 # CA CA CA OH1
+ 1647 40 564 563 562 567 # CA CA OH1 H
+ 1648 214 566 565 567 568 # HP CA CA HP
+ 1649 20 569 571 573 576 # C CT2 NH1 C
+ 1650 33 569 571 573 574 # C NH1 CT2 HB
+ 1651 33 569 571 573 575 # C NH1 CT2 HB
+ 1652 164 570 569 571 572 # H NH1 C O
+ 1653 145 570 569 571 573 # CT2 NH1 C O
+ 1654 225 571 573 576 578 # NH1 C CT2 NH1
+ 1655 231 571 573 576 577 # NH1 CT2 C O
+ 1656 21 572 571 573 576 # C CT2 NH1 H
+ 1657 166 572 571 573 574 # H NH1 CT2 HB
+ 1658 166 572 571 573 575 # H NH1 CT2 HB
+ 1659 119 573 576 578 579 # CT2 C NH1 H
+ 1660 117 573 576 578 580 # CT2 C NH1 CT2
+ 1661 118 573 576 578 580 # CT2 C NH1 CT2
+ 1662 211 574 573 576 578 # HB CT2 C NH1
+ 1663 212 574 573 576 577 # HB CT2 C O
+ 1664 211 575 573 576 578 # HB CT2 C NH1
+ 1665 212 575 573 576 577 # HB CT2 C O
+ 1666 20 576 578 580 583 # C CT2 NH1 C
+ 1667 33 576 578 580 581 # C NH1 CT2 HB
+ 1668 33 576 578 580 582 # C NH1 CT2 HB
+ 1669 164 577 576 578 579 # H NH1 C O
+ 1670 145 577 576 578 580 # CT2 NH1 C O
+ 1671 225 578 580 583 585 # NH1 C CT2 NH1
+ 1672 231 578 580 583 584 # NH1 CT2 C O
+ 1673 21 579 578 580 583 # C CT2 NH1 H
+ 1674 166 579 578 580 581 # H NH1 CT2 HB
+ 1675 166 579 578 580 582 # H NH1 CT2 HB
+ 1676 119 580 583 585 586 # CT2 C NH1 H
+ 1677 114 580 583 585 587 # CT1 NH1 C CT2
+ 1678 115 580 583 585 587 # CT1 NH1 C CT2
+ 1679 211 581 580 583 585 # HB CT2 C NH1
+ 1680 212 581 580 583 584 # HB CT2 C O
+ 1681 211 582 580 583 585 # HB CT2 C NH1
+ 1682 212 582 580 583 584 # HB CT2 C O
+ 1683 30 583 585 587 589 # C NH1 CT1 CT2
+ 1684 17 583 585 587 593 # C CT1 NH1 C
+ 1685 32 583 585 587 588 # C NH1 CT1 HB
+ 1686 164 584 583 585 586 # H NH1 C O
+ 1687 116 584 583 585 587 # CT1 NH1 C O
+ 1688 230 585 587 589 592 # NH1 CT1 CT2 SM
+ 1689 183 585 587 589 590 # HA CT2 CT1 NH1
+ 1690 183 585 587 589 591 # HA CT2 CT1 NH1
+ 1691 224 585 587 593 595 # NH1 C CT1 NH1
+ 1692 226 585 587 593 594 # NH1 CT1 C O
+ 1693 128 586 585 587 589 # CT2 CT1 NH1 H
+ 1694 18 586 585 587 593 # C CT1 NH1 H
+ 1695 165 586 585 587 588 # H NH1 CT1 HB
+ 1696 89 587 593 595 596 # CT1 C NH1 H
+ 1697 85 587 593 595 597 # CT1 C NH1 CT1
+ 1698 86 587 593 595 597 # CT1 C NH1 CT1
+ 1699 208 588 587 589 592 # HB CT1 CT2 SM
+ 1700 182 588 587 589 590 # HA CT2 CT1 HB
+ 1701 182 588 587 589 591 # HA CT2 CT1 HB
+ 1702 203 588 587 593 595 # HB CT1 C NH1
+ 1703 204 588 587 593 594 # HB CT1 C O
+ 1704 123 589 587 593 595 # CT2 CT1 C NH1
+ 1705 124 589 587 593 594 # CT2 CT1 C O
+ 1706 192 590 589 592 208 # HA CT2 SM SM
+ 1707 13 590 589 587 593 # C CT1 CT2 HA
+ 1708 192 591 589 592 208 # HA CT2 SM SM
+ 1709 13 591 589 587 593 # C CT1 CT2 HA
+ 1710 15 592 589 587 593 # C CT1 CT2 SM
+ 1711 30 593 595 597 599 # C NH1 CT1 CT2
+ 1712 17 593 595 597 617 # C CT1 NH1 C
+ 1713 32 593 595 597 598 # C NH1 CT1 HB
+ 1714 164 594 593 595 596 # H NH1 C O
+ 1715 116 594 593 595 597 # CT1 NH1 C O
+ 1716 134 595 597 599 602 # CT2 CT2 CT1 NH1
+ 1717 183 595 597 599 600 # HA CT2 CT1 NH1
+ 1718 183 595 597 599 601 # HA CT2 CT1 NH1
+ 1719 224 595 597 617 619 # NH1 C CT1 NH1
+ 1720 226 595 597 617 618 # NH1 CT1 C O
+ 1721 128 596 595 597 599 # CT2 CT1 NH1 H
+ 1722 18 596 595 597 617 # C CT1 NH1 H
+ 1723 165 596 595 597 598 # H NH1 CT1 HB
+ 1724 89 597 617 619 620 # CT1 C NH1 H
+ 1725 85 597 617 619 621 # CT1 C NH1 CT1
+ 1726 86 597 617 619 621 # CT1 C NH1 CT1
+ 1727 106 597 599 602 605 # CT1 CT2 CT2 CT2
+ 1728 107 597 599 602 603 # CT1 CT2 CT2 HA
+ 1729 107 597 599 602 604 # CT1 CT2 CT2 HA
+ 1730 133 598 597 599 602 # CT2 CT2 CT1 HB
+ 1731 182 598 597 599 600 # HA CT2 CT1 HB
+ 1732 182 598 597 599 601 # HA CT2 CT1 HB
+ 1733 203 598 597 617 619 # HB CT1 C NH1
+ 1734 204 598 597 617 618 # HB CT1 C O
+ 1735 138 599 602 605 608 # CT2 CT2 CT2 NC2
+ 1736 137 599 602 605 606 # CT2 CT2 CT2 HA
+ 1737 137 599 602 605 607 # CT2 CT2 CT2 HA
+ 1738 123 599 597 617 619 # CT2 CT1 C NH1
+ 1739 124 599 597 617 618 # CT2 CT1 C O
+ 1740 13 600 599 597 617 # C CT1 CT2 HA
+ 1741 137 600 599 602 605 # CT2 CT2 CT2 HA
+ 1742 185 600 599 602 603 # HA CT2 CT2 HA
+ 1743 185 600 599 602 604 # HA CT2 CT2 HA
+ 1744 13 601 599 597 617 # C CT1 CT2 HA
+ 1745 137 601 599 602 605 # CT2 CT2 CT2 HA
+ 1746 185 601 599 602 603 # HA CT2 CT2 HA
+ 1747 185 601 599 602 604 # HA CT2 CT2 HA
+ 1748 26 602 605 608 610 # C NC2 CT2 CT2
+ 1749 140 602 605 608 609 # CT2 CT2 NC2 HC
+ 1750 12 602 599 597 617 # C CT1 CT2 CT2
+ 1751 186 603 602 605 608 # HA CT2 CT2 NC2
+ 1752 185 603 602 605 606 # HA CT2 CT2 HA
+ 1753 185 603 602 605 607 # HA CT2 CT2 HA
+ 1754 186 604 602 605 608 # HA CT2 CT2 NC2
+ 1755 185 604 602 605 606 # HA CT2 CT2 HA
+ 1756 185 604 602 605 607 # HA CT2 CT2 HA
+ 1757 144 605 608 610 614 # CT2 NC2 C NC2
+ 1758 144 605 608 610 611 # CT2 NC2 C NC2
+ 1759 27 606 605 608 610 # C NC2 CT2 HA
+ 1760 190 606 605 608 609 # HA CT2 NC2 HC
+ 1761 27 607 605 608 610 # C NC2 CT2 HA
+ 1762 190 607 605 608 609 # HA CT2 NC2 HC
+ 1763 213 608 610 614 615 # HC NC2 C NC2
+ 1764 213 608 610 614 616 # HC NC2 C NC2
+ 1765 213 608 610 611 612 # HC NC2 C NC2
+ 1766 213 608 610 611 613 # HC NC2 C NC2
+ 1767 213 609 608 610 614 # HC NC2 C NC2
+ 1768 213 609 608 610 611 # HC NC2 C NC2
+ 1769 213 611 610 614 615 # HC NC2 C NC2
+ 1770 213 611 610 614 616 # HC NC2 C NC2
+ 1771 213 612 611 610 614 # HC NC2 C NC2
+ 1772 213 613 611 610 614 # HC NC2 C NC2
+ 1773 31 617 619 621 623 # C NH1 CT1 CT3
+ 1774 17 617 619 621 627 # C CT1 NH1 C
+ 1775 32 617 619 621 622 # C NH1 CT1 HB
+ 1776 164 618 617 619 620 # H NH1 C O
+ 1777 116 618 617 619 621 # CT1 NH1 C O
+ 1778 194 619 621 623 624 # HA CT3 CT1 NH1
+ 1779 194 619 621 623 625 # HA CT3 CT1 NH1
+ 1780 194 619 621 623 626 # HA CT3 CT1 NH1
+ 1781 224 619 621 627 629 # NH1 C CT1 NH1
+ 1782 226 619 621 627 628 # NH1 CT1 C O
+ 1783 158 620 619 621 623 # CT3 CT1 NH1 H
+ 1784 18 620 619 621 627 # C CT1 NH1 H
+ 1785 165 620 619 621 622 # H NH1 CT1 HB
+ 1786 89 621 627 629 630 # CT1 C NH1 H
+ 1787 85 621 627 629 631 # CT1 C NH1 CT1
+ 1788 86 621 627 629 631 # CT1 C NH1 CT1
+ 1789 193 622 621 623 624 # HA CT3 CT1 HB
+ 1790 193 622 621 623 625 # HA CT3 CT1 HB
+ 1791 193 622 621 623 626 # HA CT3 CT1 HB
+ 1792 203 622 621 627 629 # HB CT1 C NH1
+ 1793 204 622 621 627 628 # HB CT1 C O
+ 1794 150 623 621 627 629 # CT3 CT1 C NH1
+ 1795 151 623 621 627 628 # CT3 CT1 C O
+ 1796 16 624 623 621 627 # C CT1 CT3 HA
+ 1797 16 625 623 621 627 # C CT1 CT3 HA
+ 1798 16 626 623 621 627 # C CT1 CT3 HA
+ 1799 30 627 629 631 633 # C NH1 CT1 CT2
+ 1800 17 627 629 631 649 # C CT1 NH1 C
+ 1801 32 627 629 631 632 # C NH1 CT1 HB
+ 1802 164 628 627 629 630 # H NH1 C O
+ 1803 116 628 627 629 631 # CT1 NH1 C O
+ 1804 134 629 631 633 636 # CT2 CT2 CT1 NH1
+ 1805 183 629 631 633 634 # HA CT2 CT1 NH1
+ 1806 183 629 631 633 635 # HA CT2 CT1 NH1
+ 1807 224 629 631 649 651 # NH1 C CT1 NH1
+ 1808 226 629 631 649 650 # NH1 CT1 C O
+ 1809 128 630 629 631 633 # CT2 CT1 NH1 H
+ 1810 18 630 629 631 649 # C CT1 NH1 H
+ 1811 165 630 629 631 632 # H NH1 CT1 HB
+ 1812 89 631 649 651 652 # CT1 C NH1 H
+ 1813 85 631 649 651 653 # CT1 C NH1 CT1
+ 1814 86 631 649 651 653 # CT1 C NH1 CT1
+ 1815 106 631 633 636 639 # CT1 CT2 CT2 CT2
+ 1816 107 631 633 636 637 # CT1 CT2 CT2 HA
+ 1817 107 631 633 636 638 # CT1 CT2 CT2 HA
+ 1818 133 632 631 633 636 # CT2 CT2 CT1 HB
+ 1819 182 632 631 633 634 # HA CT2 CT1 HB
+ 1820 182 632 631 633 635 # HA CT2 CT1 HB
+ 1821 203 632 631 649 651 # HB CT1 C NH1
+ 1822 204 632 631 649 650 # HB CT1 C O
+ 1823 136 633 636 639 642 # CT2 CT2 CT2 CT2
+ 1824 137 633 636 639 640 # CT2 CT2 CT2 HA
+ 1825 137 633 636 639 641 # CT2 CT2 CT2 HA
+ 1826 123 633 631 649 651 # CT2 CT1 C NH1
+ 1827 124 633 631 649 650 # CT2 CT1 C O
+ 1828 13 634 633 631 649 # C CT1 CT2 HA
+ 1829 137 634 633 636 639 # CT2 CT2 CT2 HA
+ 1830 185 634 633 636 637 # HA CT2 CT2 HA
+ 1831 185 634 633 636 638 # HA CT2 CT2 HA
+ 1832 13 635 633 631 649 # C CT1 CT2 HA
+ 1833 137 635 633 636 639 # CT2 CT2 CT2 HA
+ 1834 185 635 633 636 637 # HA CT2 CT2 HA
+ 1835 185 635 633 636 638 # HA CT2 CT2 HA
+ 1836 139 636 639 642 645 # CT2 CT2 CT2 NH3
+ 1837 137 636 639 642 643 # CT2 CT2 CT2 HA
+ 1838 137 636 639 642 644 # CT2 CT2 CT2 HA
+ 1839 12 636 633 631 649 # C CT1 CT2 CT2
+ 1840 137 637 636 639 642 # CT2 CT2 CT2 HA
+ 1841 185 637 636 639 640 # HA CT2 CT2 HA
+ 1842 185 637 636 639 641 # HA CT2 CT2 HA
+ 1843 137 638 636 639 642 # CT2 CT2 CT2 HA
+ 1844 185 638 636 639 640 # HA CT2 CT2 HA
+ 1845 185 638 636 639 641 # HA CT2 CT2 HA
+ 1846 141 639 642 645 646 # CT2 CT2 NH3 HC
+ 1847 141 639 642 645 647 # CT2 CT2 NH3 HC
+ 1848 141 639 642 645 648 # CT2 CT2 NH3 HC
+ 1849 187 640 639 642 645 # HA CT2 CT2 NH3
+ 1850 185 640 639 642 643 # HA CT2 CT2 HA
+ 1851 185 640 639 642 644 # HA CT2 CT2 HA
+ 1852 187 641 639 642 645 # HA CT2 CT2 NH3
+ 1853 185 641 639 642 643 # HA CT2 CT2 HA
+ 1854 185 641 639 642 644 # HA CT2 CT2 HA
+ 1855 191 643 642 645 646 # HA CT2 NH3 HC
+ 1856 191 643 642 645 647 # HA CT2 NH3 HC
+ 1857 191 643 642 645 648 # HA CT2 NH3 HC
+ 1858 191 644 642 645 646 # HA CT2 NH3 HC
+ 1859 191 644 642 645 647 # HA CT2 NH3 HC
+ 1860 191 644 642 645 648 # HA CT2 NH3 HC
+ 1861 30 649 651 653 655 # C NH1 CT1 CT2
+ 1862 17 649 651 653 673 # C CT1 NH1 C
+ 1863 32 649 651 653 654 # C NH1 CT1 HB
+ 1864 164 650 649 651 652 # H NH1 C O
+ 1865 116 650 649 651 653 # CT1 NH1 C O
+ 1866 134 651 653 655 658 # CT2 CT2 CT1 NH1
+ 1867 183 651 653 655 656 # HA CT2 CT1 NH1
+ 1868 183 651 653 655 657 # HA CT2 CT1 NH1
+ 1869 224 651 653 673 675 # NH1 C CT1 NH1
+ 1870 226 651 653 673 674 # NH1 CT1 C O
+ 1871 128 652 651 653 655 # CT2 CT1 NH1 H
+ 1872 18 652 651 653 673 # C CT1 NH1 H
+ 1873 165 652 651 653 654 # H NH1 CT1 HB
+ 1874 89 653 673 675 676 # CT1 C NH1 H
+ 1875 85 653 673 675 677 # CT1 C NH1 CT1
+ 1876 86 653 673 675 677 # CT1 C NH1 CT1
+ 1877 106 653 655 658 661 # CT1 CT2 CT2 CT2
+ 1878 107 653 655 658 659 # CT1 CT2 CT2 HA
+ 1879 107 653 655 658 660 # CT1 CT2 CT2 HA
+ 1880 133 654 653 655 658 # CT2 CT2 CT1 HB
+ 1881 182 654 653 655 656 # HA CT2 CT1 HB
+ 1882 182 654 653 655 657 # HA CT2 CT1 HB
+ 1883 203 654 653 673 675 # HB CT1 C NH1
+ 1884 204 654 653 673 674 # HB CT1 C O
+ 1885 138 655 658 661 664 # CT2 CT2 CT2 NC2
+ 1886 137 655 658 661 662 # CT2 CT2 CT2 HA
+ 1887 137 655 658 661 663 # CT2 CT2 CT2 HA
+ 1888 123 655 653 673 675 # CT2 CT1 C NH1
+ 1889 124 655 653 673 674 # CT2 CT1 C O
+ 1890 13 656 655 653 673 # C CT1 CT2 HA
+ 1891 137 656 655 658 661 # CT2 CT2 CT2 HA
+ 1892 185 656 655 658 659 # HA CT2 CT2 HA
+ 1893 185 656 655 658 660 # HA CT2 CT2 HA
+ 1894 13 657 655 653 673 # C CT1 CT2 HA
+ 1895 137 657 655 658 661 # CT2 CT2 CT2 HA
+ 1896 185 657 655 658 659 # HA CT2 CT2 HA
+ 1897 185 657 655 658 660 # HA CT2 CT2 HA
+ 1898 26 658 661 664 666 # C NC2 CT2 CT2
+ 1899 140 658 661 664 665 # CT2 CT2 NC2 HC
+ 1900 12 658 655 653 673 # C CT1 CT2 CT2
+ 1901 186 659 658 661 664 # HA CT2 CT2 NC2
+ 1902 185 659 658 661 662 # HA CT2 CT2 HA
+ 1903 185 659 658 661 663 # HA CT2 CT2 HA
+ 1904 186 660 658 661 664 # HA CT2 CT2 NC2
+ 1905 185 660 658 661 662 # HA CT2 CT2 HA
+ 1906 185 660 658 661 663 # HA CT2 CT2 HA
+ 1907 144 661 664 666 670 # CT2 NC2 C NC2
+ 1908 144 661 664 666 667 # CT2 NC2 C NC2
+ 1909 27 662 661 664 666 # C NC2 CT2 HA
+ 1910 190 662 661 664 665 # HA CT2 NC2 HC
+ 1911 27 663 661 664 666 # C NC2 CT2 HA
+ 1912 190 663 661 664 665 # HA CT2 NC2 HC
+ 1913 213 664 666 670 671 # HC NC2 C NC2
+ 1914 213 664 666 670 672 # HC NC2 C NC2
+ 1915 213 664 666 667 668 # HC NC2 C NC2
+ 1916 213 664 666 667 669 # HC NC2 C NC2
+ 1917 213 665 664 666 670 # HC NC2 C NC2
+ 1918 213 665 664 666 667 # HC NC2 C NC2
+ 1919 213 667 666 670 671 # HC NC2 C NC2
+ 1920 213 667 666 670 672 # HC NC2 C NC2
+ 1921 213 668 667 666 670 # HC NC2 C NC2
+ 1922 213 669 667 666 670 # HC NC2 C NC2
+ 1923 30 673 675 677 679 # C NH1 CT1 CT2
+ 1924 17 673 675 677 687 # C CT1 NH1 C
+ 1925 32 673 675 677 678 # C NH1 CT1 HB
+ 1926 164 674 673 675 676 # H NH1 C O
+ 1927 116 674 673 675 677 # CT1 NH1 C O
+ 1928 46 675 677 679 682 # CC CT2 CT1 NH1
+ 1929 183 675 677 679 680 # HA CT2 CT1 NH1
+ 1930 183 675 677 679 681 # HA CT2 CT1 NH1
+ 1931 224 675 677 687 689 # NH1 C CT1 NH1
+ 1932 226 675 677 687 688 # NH1 CT1 C O
+ 1933 128 676 675 677 679 # CT2 CT1 NH1 H
+ 1934 18 676 675 677 687 # C CT1 NH1 H
+ 1935 165 676 675 677 678 # H NH1 CT1 HB
+ 1936 89 677 687 689 690 # CT1 C NH1 H
+ 1937 85 677 687 689 691 # CT1 C NH1 CT1
+ 1938 86 677 687 689 691 # CT1 C NH1 CT1
+ 1939 99 677 679 682 684 # CT1 CT2 CC NH2
+ 1940 100 677 679 682 683 # CT1 CT2 CC O
+ 1941 45 678 677 679 682 # CC CT2 CT1 HB
+ 1942 182 678 677 679 680 # HA CT2 CT1 HB
+ 1943 182 678 677 679 681 # HA CT2 CT1 HB
+ 1944 203 678 677 687 689 # HB CT1 C NH1
+ 1945 204 678 677 687 688 # HB CT1 C O
+ 1946 121 679 682 684 685 # CT2 CC NH2 H
+ 1947 121 679 682 684 686 # CT2 CC NH2 H
+ 1948 123 679 677 687 689 # CT2 CT1 C NH1
+ 1949 124 679 677 687 688 # CT2 CT1 C O
+ 1950 13 680 679 677 687 # C CT1 CT2 HA
+ 1951 179 680 679 682 684 # HA CT2 CC NH2
+ 1952 180 680 679 682 683 # HA CT2 CC O
+ 1953 13 681 679 677 687 # C CT1 CT2 HA
+ 1954 179 681 679 682 684 # HA CT2 CC NH2
+ 1955 180 681 679 682 683 # HA CT2 CC O
+ 1956 10 682 679 677 687 # C CT1 CT2 CC
+ 1957 167 683 682 684 685 # H NH2 CC O
+ 1958 167 683 682 684 686 # H NH2 CC O
+ 1959 30 687 689 691 693 # C NH1 CT1 CT2
+ 1960 17 687 689 691 701 # C CT1 NH1 C
+ 1961 32 687 689 691 692 # C NH1 CT1 HB
+ 1962 164 688 687 689 690 # H NH1 C O
+ 1963 116 688 687 689 691 # CT1 NH1 C O
+ 1964 46 689 691 693 696 # CC CT2 CT1 NH1
+ 1965 183 689 691 693 694 # HA CT2 CT1 NH1
+ 1966 183 689 691 693 695 # HA CT2 CT1 NH1
+ 1967 224 689 691 701 703 # NH1 C CT1 NH1
+ 1968 226 689 691 701 702 # NH1 CT1 C O
+ 1969 128 690 689 691 693 # CT2 CT1 NH1 H
+ 1970 18 690 689 691 701 # C CT1 NH1 H
+ 1971 165 690 689 691 692 # H NH1 CT1 HB
+ 1972 89 691 701 703 704 # CT1 C NH1 H
+ 1973 85 691 701 703 705 # CT1 C NH1 CT1
+ 1974 86 691 701 703 705 # CT1 C NH1 CT1
+ 1975 99 691 693 696 698 # CT1 CT2 CC NH2
+ 1976 100 691 693 696 697 # CT1 CT2 CC O
+ 1977 45 692 691 693 696 # CC CT2 CT1 HB
+ 1978 182 692 691 693 694 # HA CT2 CT1 HB
+ 1979 182 692 691 693 695 # HA CT2 CT1 HB
+ 1980 203 692 691 701 703 # HB CT1 C NH1
+ 1981 204 692 691 701 702 # HB CT1 C O
+ 1982 121 693 696 698 699 # CT2 CC NH2 H
+ 1983 121 693 696 698 700 # CT2 CC NH2 H
+ 1984 123 693 691 701 703 # CT2 CT1 C NH1
+ 1985 124 693 691 701 702 # CT2 CT1 C O
+ 1986 13 694 693 691 701 # C CT1 CT2 HA
+ 1987 179 694 693 696 698 # HA CT2 CC NH2
+ 1988 180 694 693 696 697 # HA CT2 CC O
+ 1989 13 695 693 691 701 # C CT1 CT2 HA
+ 1990 179 695 693 696 698 # HA CT2 CC NH2
+ 1991 180 695 693 696 697 # HA CT2 CC O
+ 1992 10 696 693 691 701 # C CT1 CT2 CC
+ 1993 167 697 696 698 699 # H NH2 CC O
+ 1994 167 697 696 698 700 # H NH2 CC O
+ 1995 30 701 703 705 707 # C NH1 CT1 CT2
+ 1996 17 701 703 705 721 # C CT1 NH1 C
+ 1997 32 701 703 705 706 # C NH1 CT1 HB
+ 1998 164 702 701 703 704 # H NH1 C O
+ 1999 116 702 701 703 705 # CT1 NH1 C O
+ 2000 42 703 705 707 710 # CA CT2 CT1 NH1
+ 2001 183 703 705 707 708 # HA CT2 CT1 NH1
+ 2002 183 703 705 707 709 # HA CT2 CT1 NH1
+ 2003 224 703 705 721 723 # NH1 C CT1 NH1
+ 2004 226 703 705 721 722 # NH1 CT1 C O
+ 2005 128 704 703 705 707 # CT2 CT1 NH1 H
+ 2006 18 704 703 705 721 # C CT1 NH1 H
+ 2007 165 704 703 705 706 # H NH1 CT1 HB
+ 2008 89 705 721 723 724 # CT1 C NH1 H
+ 2009 85 705 721 723 725 # CT1 C NH1 CT1
+ 2010 86 705 721 723 725 # CT1 C NH1 CT1
+ 2011 38 705 707 710 717 # CA CA CT2 CT1
+ 2012 38 705 707 710 711 # CA CA CT2 CT1
+ 2013 41 706 705 707 710 # CA CT2 CT1 HB
+ 2014 182 706 705 707 708 # HA CT2 CT1 HB
+ 2015 182 706 705 707 709 # HA CT2 CT1 HB
+ 2016 203 706 705 721 723 # HB CT1 C NH1
+ 2017 204 706 705 721 722 # HB CT1 C O
+ 2018 120 707 710 717 718 # CT2 CA CA HP
+ 2019 35 707 710 717 719 # CA CA CA CT2
+ 2020 35 707 710 711 713 # CA CA CA CT2
+ 2021 120 707 710 711 712 # CT2 CA CA HP
+ 2022 123 707 705 721 723 # CT2 CT1 C NH1
+ 2023 124 707 705 721 722 # CT2 CT1 C O
+ 2024 13 708 707 705 721 # C CT1 CT2 HA
+ 2025 39 708 707 710 717 # CA CA CT2 HA
+ 2026 39 708 707 710 711 # CA CA CT2 HA
+ 2027 13 709 707 705 721 # C CT1 CT2 HA
+ 2028 39 709 707 710 717 # CA CA CT2 HA
+ 2029 39 709 707 710 711 # CA CA CT2 HA
+ 2030 34 710 717 719 715 # CA CA CA CA
+ 2031 36 710 717 719 720 # CA CA CA HP
+ 2032 36 710 711 713 714 # CA CA CA HP
+ 2033 34 710 711 713 715 # CA CA CA CA
+ 2034 9 710 707 705 721 # C CT1 CT2 CA
+ 2035 34 711 713 715 719 # CA CA CA CA
+ 2036 36 711 713 715 716 # CA CA CA HP
+ 2037 36 711 710 717 718 # CA CA CA HP
+ 2038 34 711 710 717 719 # CA CA CA CA
+ 2039 214 712 711 713 714 # HP CA CA HP
+ 2040 36 712 711 713 715 # CA CA CA HP
+ 2041 36 712 711 710 717 # CA CA CA HP
+ 2042 34 713 715 719 717 # CA CA CA CA
+ 2043 36 713 715 719 720 # CA CA CA HP
+ 2044 34 713 711 710 717 # CA CA CA CA
+ 2045 36 714 713 715 719 # CA CA CA HP
+ 2046 214 714 713 715 716 # HP CA CA HP
+ 2047 36 715 719 717 718 # CA CA CA HP
+ 2048 36 716 715 719 717 # CA CA CA HP
+ 2049 214 716 715 719 720 # HP CA CA HP
+ 2050 214 718 717 719 720 # HP CA CA HP
+ 2051 30 721 723 725 727 # C NH1 CT1 CT2
+ 2052 17 721 723 725 743 # C CT1 NH1 C
+ 2053 32 721 723 725 726 # C NH1 CT1 HB
+ 2054 164 722 721 723 724 # H NH1 C O
+ 2055 116 722 721 723 725 # CT1 NH1 C O
+ 2056 134 723 725 727 730 # CT2 CT2 CT1 NH1
+ 2057 183 723 725 727 728 # HA CT2 CT1 NH1
+ 2058 183 723 725 727 729 # HA CT2 CT1 NH1
+ 2059 224 723 725 743 745 # NH1 C CT1 NH1
+ 2060 226 723 725 743 744 # NH1 CT1 C O
+ 2061 128 724 723 725 727 # CT2 CT1 NH1 H
+ 2062 18 724 723 725 743 # C CT1 NH1 H
+ 2063 165 724 723 725 726 # H NH1 CT1 HB
+ 2064 89 725 743 745 746 # CT1 C NH1 H
+ 2065 85 725 743 745 747 # CT1 C NH1 CT1
+ 2066 86 725 743 745 747 # CT1 C NH1 CT1
+ 2067 106 725 727 730 733 # CT1 CT2 CT2 CT2
+ 2068 107 725 727 730 731 # CT1 CT2 CT2 HA
+ 2069 107 725 727 730 732 # CT1 CT2 CT2 HA
+ 2070 133 726 725 727 730 # CT2 CT2 CT1 HB
+ 2071 182 726 725 727 728 # HA CT2 CT1 HB
+ 2072 182 726 725 727 729 # HA CT2 CT1 HB
+ 2073 203 726 725 743 745 # HB CT1 C NH1
+ 2074 204 726 725 743 744 # HB CT1 C O
+ 2075 136 727 730 733 736 # CT2 CT2 CT2 CT2
+ 2076 137 727 730 733 734 # CT2 CT2 CT2 HA
+ 2077 137 727 730 733 735 # CT2 CT2 CT2 HA
+ 2078 123 727 725 743 745 # CT2 CT1 C NH1
+ 2079 124 727 725 743 744 # CT2 CT1 C O
+ 2080 13 728 727 725 743 # C CT1 CT2 HA
+ 2081 137 728 727 730 733 # CT2 CT2 CT2 HA
+ 2082 185 728 727 730 731 # HA CT2 CT2 HA
+ 2083 185 728 727 730 732 # HA CT2 CT2 HA
+ 2084 13 729 727 725 743 # C CT1 CT2 HA
+ 2085 137 729 727 730 733 # CT2 CT2 CT2 HA
+ 2086 185 729 727 730 731 # HA CT2 CT2 HA
+ 2087 185 729 727 730 732 # HA CT2 CT2 HA
+ 2088 139 730 733 736 739 # CT2 CT2 CT2 NH3
+ 2089 137 730 733 736 737 # CT2 CT2 CT2 HA
+ 2090 137 730 733 736 738 # CT2 CT2 CT2 HA
+ 2091 12 730 727 725 743 # C CT1 CT2 CT2
+ 2092 137 731 730 733 736 # CT2 CT2 CT2 HA
+ 2093 185 731 730 733 734 # HA CT2 CT2 HA
+ 2094 185 731 730 733 735 # HA CT2 CT2 HA
+ 2095 137 732 730 733 736 # CT2 CT2 CT2 HA
+ 2096 185 732 730 733 734 # HA CT2 CT2 HA
+ 2097 185 732 730 733 735 # HA CT2 CT2 HA
+ 2098 141 733 736 739 740 # CT2 CT2 NH3 HC
+ 2099 141 733 736 739 741 # CT2 CT2 NH3 HC
+ 2100 141 733 736 739 742 # CT2 CT2 NH3 HC
+ 2101 187 734 733 736 739 # HA CT2 CT2 NH3
+ 2102 185 734 733 736 737 # HA CT2 CT2 HA
+ 2103 185 734 733 736 738 # HA CT2 CT2 HA
+ 2104 187 735 733 736 739 # HA CT2 CT2 NH3
+ 2105 185 735 733 736 737 # HA CT2 CT2 HA
+ 2106 185 735 733 736 738 # HA CT2 CT2 HA
+ 2107 191 737 736 739 740 # HA CT2 NH3 HC
+ 2108 191 737 736 739 741 # HA CT2 NH3 HC
+ 2109 191 737 736 739 742 # HA CT2 NH3 HC
+ 2110 191 738 736 739 740 # HA CT2 NH3 HC
+ 2111 191 738 736 739 741 # HA CT2 NH3 HC
+ 2112 191 738 736 739 742 # HA CT2 NH3 HC
+ 2113 30 743 745 747 749 # C NH1 CT1 CT2
+ 2114 17 743 745 747 754 # C CT1 NH1 C
+ 2115 32 743 745 747 748 # C NH1 CT1 HB
+ 2116 164 744 743 745 746 # H NH1 C O
+ 2117 116 744 743 745 747 # CT1 NH1 C O
+ 2118 229 745 747 749 752 # NH1 CT1 CT2 OH1
+ 2119 183 745 747 749 750 # HA CT2 CT1 NH1
+ 2120 183 745 747 749 751 # HA CT2 CT1 NH1
+ 2121 224 745 747 754 756 # NH1 C CT1 NH1
+ 2122 226 745 747 754 755 # NH1 CT1 C O
+ 2123 128 746 745 747 749 # CT2 CT1 NH1 H
+ 2124 18 746 745 747 754 # C CT1 NH1 H
+ 2125 165 746 745 747 748 # H NH1 CT1 HB
+ 2126 89 747 754 756 757 # CT1 C NH1 H
+ 2127 85 747 754 756 758 # CT1 C NH1 CT1
+ 2128 86 747 754 756 758 # CT1 C NH1 CT1
+ 2129 110 747 749 752 753 # CT1 CT2 OH1 H
+ 2130 111 747 749 752 753 # CT1 CT2 OH1 H
+ 2131 112 747 749 752 753 # CT1 CT2 OH1 H
+ 2132 207 748 747 749 752 # HB CT1 CT2 OH1
+ 2133 182 748 747 749 750 # HA CT2 CT1 HB
+ 2134 182 748 747 749 751 # HA CT2 CT1 HB
+ 2135 203 748 747 754 756 # HB CT1 C NH1
+ 2136 204 748 747 754 755 # HB CT1 C O
+ 2137 123 749 747 754 756 # CT2 CT1 C NH1
+ 2138 124 749 747 754 755 # CT2 CT1 C O
+ 2139 13 750 749 747 754 # C CT1 CT2 HA
+ 2140 169 750 749 752 753 # H OH1 CT2 HA
+ 2141 13 751 749 747 754 # C CT1 CT2 HA
+ 2142 169 751 749 752 753 # H OH1 CT2 HA
+ 2143 14 752 749 747 754 # C CT1 CT2 OH1
+ 2144 31 754 756 758 760 # C NH1 CT1 CT3
+ 2145 17 754 756 758 764 # C CT1 NH1 C
+ 2146 32 754 756 758 759 # C NH1 CT1 HB
+ 2147 164 755 754 756 757 # H NH1 C O
+ 2148 116 755 754 756 758 # CT1 NH1 C O
+ 2149 194 756 758 760 761 # HA CT3 CT1 NH1
+ 2150 194 756 758 760 762 # HA CT3 CT1 NH1
+ 2151 194 756 758 760 763 # HA CT3 CT1 NH1
+ 2152 224 756 758 764 766 # NH1 C CT1 NH1
+ 2153 226 756 758 764 765 # NH1 CT1 C O
+ 2154 158 757 756 758 760 # CT3 CT1 NH1 H
+ 2155 18 757 756 758 764 # C CT1 NH1 H
+ 2156 165 757 756 758 759 # H NH1 CT1 HB
+ 2157 89 758 764 766 767 # CT1 C NH1 H
+ 2158 85 758 764 766 768 # CT1 C NH1 CT1
+ 2159 86 758 764 766 768 # CT1 C NH1 CT1
+ 2160 193 759 758 760 761 # HA CT3 CT1 HB
+ 2161 193 759 758 760 762 # HA CT3 CT1 HB
+ 2162 193 759 758 760 763 # HA CT3 CT1 HB
+ 2163 203 759 758 764 766 # HB CT1 C NH1
+ 2164 204 759 758 764 765 # HB CT1 C O
+ 2165 150 760 758 764 766 # CT3 CT1 C NH1
+ 2166 151 760 758 764 765 # CT3 CT1 C O
+ 2167 16 761 760 758 764 # C CT1 CT3 HA
+ 2168 16 762 760 758 764 # C CT1 CT3 HA
+ 2169 16 763 760 758 764 # C CT1 CT3 HA
+ 2170 30 764 766 768 770 # C NH1 CT1 CT2
+ 2171 17 764 766 768 779 # C CT1 NH1 C
+ 2172 32 764 766 768 769 # C NH1 CT1 HB
+ 2173 164 765 764 766 767 # H NH1 C O
+ 2174 116 765 764 766 768 # CT1 NH1 C O
+ 2175 134 766 768 770 773 # CT2 CT2 CT1 NH1
+ 2176 183 766 768 770 771 # HA CT2 CT1 NH1
+ 2177 183 766 768 770 772 # HA CT2 CT1 NH1
+ 2178 224 766 768 779 781 # NH1 C CT1 NH1
+ 2179 226 766 768 779 780 # NH1 CT1 C O
+ 2180 128 767 766 768 770 # CT2 CT1 NH1 H
+ 2181 18 767 766 768 779 # C CT1 NH1 H
+ 2182 165 767 766 768 769 # H NH1 CT1 HB
+ 2183 89 768 779 781 782 # CT1 C NH1 H
+ 2184 85 768 779 781 783 # CT1 C NH1 CT1
+ 2185 86 768 779 781 783 # CT1 C NH1 CT1
+ 2186 47 768 770 773 776 # CC CT2 CT2 CT1
+ 2187 107 768 770 773 774 # CT1 CT2 CT2 HA
+ 2188 107 768 770 773 775 # CT1 CT2 CT2 HA
+ 2189 133 769 768 770 773 # CT2 CT2 CT1 HB
+ 2190 182 769 768 770 771 # HA CT2 CT1 HB
+ 2191 182 769 768 770 772 # HA CT2 CT1 HB
+ 2192 203 769 768 779 781 # HB CT1 C NH1
+ 2193 204 769 768 779 780 # HB CT1 C O
+ 2194 132 770 773 776 778 # CT2 CT2 CC OC
+ 2195 132 770 773 776 777 # CT2 CT2 CC OC
+ 2196 123 770 768 779 781 # CT2 CT1 C NH1
+ 2197 124 770 768 779 780 # CT2 CT1 C O
+ 2198 13 771 770 768 779 # C CT1 CT2 HA
+ 2199 48 771 770 773 776 # CC CT2 CT2 HA
+ 2200 185 771 770 773 774 # HA CT2 CT2 HA
+ 2201 185 771 770 773 775 # HA CT2 CT2 HA
+ 2202 13 772 770 768 779 # C CT1 CT2 HA
+ 2203 48 772 770 773 776 # CC CT2 CT2 HA
+ 2204 185 772 770 773 774 # HA CT2 CT2 HA
+ 2205 185 772 770 773 775 # HA CT2 CT2 HA
+ 2206 12 773 770 768 779 # C CT1 CT2 CT2
+ 2207 181 774 773 776 778 # HA CT2 CC OC
+ 2208 181 774 773 776 777 # HA CT2 CC OC
+ 2209 181 775 773 776 778 # HA CT2 CC OC
+ 2210 181 775 773 776 777 # HA CT2 CC OC
+ 2211 30 779 781 783 785 # C NH1 CT1 CT2
+ 2212 17 779 781 783 791 # C CT1 NH1 C
+ 2213 32 779 781 783 784 # C NH1 CT1 HB
+ 2214 164 780 779 781 782 # H NH1 C O
+ 2215 116 780 779 781 783 # CT1 NH1 C O
+ 2216 46 781 783 785 788 # CC CT2 CT1 NH1
+ 2217 183 781 783 785 786 # HA CT2 CT1 NH1
+ 2218 183 781 783 785 787 # HA CT2 CT1 NH1
+ 2219 224 781 783 791 793 # NH1 C CT1 NH1
+ 2220 226 781 783 791 792 # NH1 CT1 C O
+ 2221 128 782 781 783 785 # CT2 CT1 NH1 H
+ 2222 18 782 781 783 791 # C CT1 NH1 H
+ 2223 165 782 781 783 784 # H NH1 CT1 HB
+ 2224 89 783 791 793 794 # CT1 C NH1 H
+ 2225 85 783 791 793 795 # CT1 C NH1 CT1
+ 2226 86 783 791 793 795 # CT1 C NH1 CT1
+ 2227 101 783 785 788 790 # CT1 CT2 CC OC
+ 2228 101 783 785 788 789 # CT1 CT2 CC OC
+ 2229 45 784 783 785 788 # CC CT2 CT1 HB
+ 2230 182 784 783 785 786 # HA CT2 CT1 HB
+ 2231 182 784 783 785 787 # HA CT2 CT1 HB
+ 2232 203 784 783 791 793 # HB CT1 C NH1
+ 2233 204 784 783 791 792 # HB CT1 C O
+ 2234 123 785 783 791 793 # CT2 CT1 C NH1
+ 2235 124 785 783 791 792 # CT2 CT1 C O
+ 2236 13 786 785 783 791 # C CT1 CT2 HA
+ 2237 181 786 785 788 790 # HA CT2 CC OC
+ 2238 181 786 785 788 789 # HA CT2 CC OC
+ 2239 13 787 785 783 791 # C CT1 CT2 HA
+ 2240 181 787 785 788 790 # HA CT2 CC OC
+ 2241 181 787 785 788 789 # HA CT2 CC OC
+ 2242 10 788 785 783 791 # C CT1 CT2 CC
+ 2243 30 791 793 795 797 # C NH1 CT1 CT2
+ 2244 17 791 793 795 801 # C CT1 NH1 C
+ 2245 32 791 793 795 796 # C NH1 CT1 HB
+ 2246 164 792 791 793 794 # H NH1 C O
+ 2247 116 792 791 793 795 # CT1 NH1 C O
+ 2248 230 793 795 797 800 # NH1 CT1 CT2 SM
+ 2249 183 793 795 797 798 # HA CT2 CT1 NH1
+ 2250 183 793 795 797 799 # HA CT2 CT1 NH1
+ 2251 224 793 795 801 803 # NH1 C CT1 NH1
+ 2252 226 793 795 801 802 # NH1 CT1 C O
+ 2253 128 794 793 795 797 # CT2 CT1 NH1 H
+ 2254 18 794 793 795 801 # C CT1 NH1 H
+ 2255 165 794 793 795 796 # H NH1 CT1 HB
+ 2256 89 795 801 803 804 # CT1 C NH1 H
+ 2257 85 795 801 803 805 # CT1 C NH1 CT1
+ 2258 86 795 801 803 805 # CT1 C NH1 CT1
+ 2259 208 796 795 797 800 # HB CT1 CT2 SM
+ 2260 182 796 795 797 798 # HA CT2 CT1 HB
+ 2261 182 796 795 797 799 # HA CT2 CT1 HB
+ 2262 203 796 795 801 803 # HB CT1 C NH1
+ 2263 204 796 795 801 802 # HB CT1 C O
+ 2264 123 797 795 801 803 # CT2 CT1 C NH1
+ 2265 124 797 795 801 802 # CT2 CT1 C O
+ 2266 192 798 797 800 480 # HA CT2 SM SM
+ 2267 13 798 797 795 801 # C CT1 CT2 HA
+ 2268 192 799 797 800 480 # HA CT2 SM SM
+ 2269 13 799 797 795 801 # C CT1 CT2 HA
+ 2270 15 800 797 795 801 # C CT1 CT2 SM
+ 2271 30 801 803 805 807 # C NH1 CT1 CT2
+ 2272 17 801 803 805 818 # C CT1 NH1 C
+ 2273 32 801 803 805 806 # C NH1 CT1 HB
+ 2274 164 802 801 803 804 # H NH1 C O
+ 2275 116 802 801 803 805 # CT1 NH1 C O
+ 2276 134 803 805 807 810 # CT2 CT2 CT1 NH1
+ 2277 183 803 805 807 808 # HA CT2 CT1 NH1
+ 2278 183 803 805 807 809 # HA CT2 CT1 NH1
+ 2279 224 803 805 818 820 # NH1 C CT1 NH1
+ 2280 226 803 805 818 819 # NH1 CT1 C O
+ 2281 128 804 803 805 807 # CT2 CT1 NH1 H
+ 2282 18 804 803 805 818 # C CT1 NH1 H
+ 2283 165 804 803 805 806 # H NH1 CT1 HB
+ 2284 89 805 818 820 821 # CT1 C NH1 H
+ 2285 85 805 818 820 822 # CT1 C NH1 CT1
+ 2286 86 805 818 820 822 # CT1 C NH1 CT1
+ 2287 108 805 807 810 813 # CT1 CT2 CT2 S
+ 2288 107 805 807 810 811 # CT1 CT2 CT2 HA
+ 2289 107 805 807 810 812 # CT1 CT2 CT2 HA
+ 2290 133 806 805 807 810 # CT2 CT2 CT1 HB
+ 2291 182 806 805 807 808 # HA CT2 CT1 HB
+ 2292 182 806 805 807 809 # HA CT2 CT1 HB
+ 2293 203 806 805 818 820 # HB CT1 C NH1
+ 2294 204 806 805 818 819 # HB CT1 C O
+ 2295 142 807 810 813 814 # CT2 CT2 S CT3
+ 2296 143 807 810 813 814 # CT2 CT2 S CT3
+ 2297 123 807 805 818 820 # CT2 CT1 C NH1
+ 2298 124 807 805 818 819 # CT2 CT1 C O
+ 2299 13 808 807 805 818 # C CT1 CT2 HA
+ 2300 188 808 807 810 813 # HA CT2 CT2 S
+ 2301 185 808 807 810 811 # HA CT2 CT2 HA
+ 2302 185 808 807 810 812 # HA CT2 CT2 HA
+ 2303 13 809 807 805 818 # C CT1 CT2 HA
+ 2304 188 809 807 810 813 # HA CT2 CT2 S
+ 2305 185 809 807 810 811 # HA CT2 CT2 HA
+ 2306 185 809 807 810 812 # HA CT2 CT2 HA
+ 2307 146 810 813 814 815 # CT2 S CT3 HA
+ 2308 146 810 813 814 816 # CT2 S CT3 HA
+ 2309 146 810 813 814 817 # CT2 S CT3 HA
+ 2310 12 810 807 805 818 # C CT1 CT2 CT2
+ 2311 163 811 810 813 814 # CT3 S CT2 HA
+ 2312 163 812 810 813 814 # CT3 S CT2 HA
+ 2313 30 818 820 822 824 # C NH1 CT1 CT2
+ 2314 17 818 820 822 842 # C CT1 NH1 C
+ 2315 32 818 820 822 823 # C NH1 CT1 HB
+ 2316 164 819 818 820 821 # H NH1 C O
+ 2317 116 819 818 820 822 # CT1 NH1 C O
+ 2318 134 820 822 824 827 # CT2 CT2 CT1 NH1
+ 2319 183 820 822 824 825 # HA CT2 CT1 NH1
+ 2320 183 820 822 824 826 # HA CT2 CT1 NH1
+ 2321 224 820 822 842 844 # NH1 C CT1 NH1
+ 2322 226 820 822 842 843 # NH1 CT1 C O
+ 2323 128 821 820 822 824 # CT2 CT1 NH1 H
+ 2324 18 821 820 822 842 # C CT1 NH1 H
+ 2325 165 821 820 822 823 # H NH1 CT1 HB
+ 2326 89 822 842 844 845 # CT1 C NH1 H
+ 2327 85 822 842 844 846 # CT1 C NH1 CT1
+ 2328 86 822 842 844 846 # CT1 C NH1 CT1
+ 2329 106 822 824 827 830 # CT1 CT2 CT2 CT2
+ 2330 107 822 824 827 828 # CT1 CT2 CT2 HA
+ 2331 107 822 824 827 829 # CT1 CT2 CT2 HA
+ 2332 133 823 822 824 827 # CT2 CT2 CT1 HB
+ 2333 182 823 822 824 825 # HA CT2 CT1 HB
+ 2334 182 823 822 824 826 # HA CT2 CT1 HB
+ 2335 203 823 822 842 844 # HB CT1 C NH1
+ 2336 204 823 822 842 843 # HB CT1 C O
+ 2337 138 824 827 830 833 # CT2 CT2 CT2 NC2
+ 2338 137 824 827 830 831 # CT2 CT2 CT2 HA
+ 2339 137 824 827 830 832 # CT2 CT2 CT2 HA
+ 2340 123 824 822 842 844 # CT2 CT1 C NH1
+ 2341 124 824 822 842 843 # CT2 CT1 C O
+ 2342 13 825 824 822 842 # C CT1 CT2 HA
+ 2343 137 825 824 827 830 # CT2 CT2 CT2 HA
+ 2344 185 825 824 827 828 # HA CT2 CT2 HA
+ 2345 185 825 824 827 829 # HA CT2 CT2 HA
+ 2346 13 826 824 822 842 # C CT1 CT2 HA
+ 2347 137 826 824 827 830 # CT2 CT2 CT2 HA
+ 2348 185 826 824 827 828 # HA CT2 CT2 HA
+ 2349 185 826 824 827 829 # HA CT2 CT2 HA
+ 2350 26 827 830 833 835 # C NC2 CT2 CT2
+ 2351 140 827 830 833 834 # CT2 CT2 NC2 HC
+ 2352 12 827 824 822 842 # C CT1 CT2 CT2
+ 2353 186 828 827 830 833 # HA CT2 CT2 NC2
+ 2354 185 828 827 830 831 # HA CT2 CT2 HA
+ 2355 185 828 827 830 832 # HA CT2 CT2 HA
+ 2356 186 829 827 830 833 # HA CT2 CT2 NC2
+ 2357 185 829 827 830 831 # HA CT2 CT2 HA
+ 2358 185 829 827 830 832 # HA CT2 CT2 HA
+ 2359 144 830 833 835 839 # CT2 NC2 C NC2
+ 2360 144 830 833 835 836 # CT2 NC2 C NC2
+ 2361 27 831 830 833 835 # C NC2 CT2 HA
+ 2362 190 831 830 833 834 # HA CT2 NC2 HC
+ 2363 27 832 830 833 835 # C NC2 CT2 HA
+ 2364 190 832 830 833 834 # HA CT2 NC2 HC
+ 2365 213 833 835 839 840 # HC NC2 C NC2
+ 2366 213 833 835 839 841 # HC NC2 C NC2
+ 2367 213 833 835 836 837 # HC NC2 C NC2
+ 2368 213 833 835 836 838 # HC NC2 C NC2
+ 2369 213 834 833 835 839 # HC NC2 C NC2
+ 2370 213 834 833 835 836 # HC NC2 C NC2
+ 2371 213 836 835 839 840 # HC NC2 C NC2
+ 2372 213 836 835 839 841 # HC NC2 C NC2
+ 2373 213 837 836 835 839 # HC NC2 C NC2
+ 2374 213 838 836 835 839 # HC NC2 C NC2
+ 2375 29 842 844 846 848 # C NH1 CT1 CT1
+ 2376 17 842 844 846 856 # C CT1 NH1 C
+ 2377 32 842 844 846 847 # C NH1 CT1 HB
+ 2378 164 843 842 844 845 # H NH1 C O
+ 2379 116 843 842 844 846 # CT1 NH1 C O
+ 2380 228 844 846 848 850 # NH1 CT1 CT1 OH1
+ 2381 154 844 846 848 852 # CT3 CT1 CT1 NH1
+ 2382 176 844 846 848 849 # HA CT1 CT1 NH1
+ 2383 224 844 846 856 858 # NH1 C CT1 NH1
+ 2384 226 844 846 856 857 # NH1 CT1 C O
+ 2385 95 845 844 846 848 # CT1 CT1 NH1 H
+ 2386 18 845 844 846 856 # C CT1 NH1 H
+ 2387 165 845 844 846 847 # H NH1 CT1 HB
+ 2388 89 846 856 858 859 # CT1 C NH1 H
+ 2389 85 846 856 858 860 # CT1 C NH1 CT1
+ 2390 86 846 856 858 860 # CT1 C NH1 CT1
+ 2391 96 846 848 850 851 # CT1 CT1 OH1 H
+ 2392 97 846 848 850 851 # CT1 CT1 OH1 H
+ 2393 98 846 848 850 851 # CT1 CT1 OH1 H
+ 2394 94 846 848 852 853 # CT1 CT1 CT3 HA
+ 2395 94 846 848 852 854 # CT1 CT1 CT3 HA
+ 2396 94 846 848 852 855 # CT1 CT1 CT3 HA
+ 2397 206 847 846 848 850 # HB CT1 CT1 OH1
+ 2398 153 847 846 848 852 # CT3 CT1 CT1 HB
+ 2399 175 847 846 848 849 # HA CT1 CT1 HB
+ 2400 203 847 846 856 858 # HB CT1 C NH1
+ 2401 204 847 846 856 857 # HB CT1 C O
+ 2402 90 848 846 856 858 # CT1 CT1 C NH1
+ 2403 91 848 846 856 857 # CT1 CT1 C O
+ 2404 7 849 848 846 856 # C CT1 CT1 HA
+ 2405 168 849 848 850 851 # H OH1 CT1 HA
+ 2406 178 849 848 852 853 # HA CT1 CT3 HA
+ 2407 178 849 848 852 854 # HA CT1 CT3 HA
+ 2408 178 849 848 852 855 # HA CT1 CT3 HA
+ 2409 8 850 848 846 856 # C CT1 CT1 OH1
+ 2410 195 850 848 852 853 # HA CT3 CT1 OH1
+ 2411 195 850 848 852 854 # HA CT3 CT1 OH1
+ 2412 195 850 848 852 855 # HA CT3 CT1 OH1
+ 2413 159 851 850 848 852 # CT3 CT1 OH1 H
+ 2414 160 851 850 848 852 # CT3 CT1 OH1 H
+ 2415 161 851 850 848 852 # CT3 CT1 OH1 H
+ 2416 6 852 848 846 856 # C CT1 CT1 CT3
+ 2417 30 856 858 860 862 # C NH1 CT1 CT2
+ 2418 17 856 858 860 866 # C CT1 NH1 C
+ 2419 32 856 858 860 861 # C NH1 CT1 HB
+ 2420 164 857 856 858 859 # H NH1 C O
+ 2421 116 857 856 858 860 # CT1 NH1 C O
+ 2422 230 858 860 862 865 # NH1 CT1 CT2 SM
+ 2423 183 858 860 862 863 # HA CT2 CT1 NH1
+ 2424 183 858 860 862 864 # HA CT2 CT1 NH1
+ 2425 224 858 860 866 868 # NH1 C CT1 NH1
+ 2426 226 858 860 866 867 # NH1 CT1 C O
+ 2427 128 859 858 860 862 # CT2 CT1 NH1 H
+ 2428 18 859 858 860 866 # C CT1 NH1 H
+ 2429 165 859 858 860 861 # H NH1 CT1 HB
+ 2430 89 860 866 868 869 # CT1 C NH1 H
+ 2431 87 860 866 868 870 # CT1 C NH1 CT2
+ 2432 88 860 866 868 870 # CT1 C NH1 CT2
+ 2433 208 861 860 862 865 # HB CT1 CT2 SM
+ 2434 182 861 860 862 863 # HA CT2 CT1 HB
+ 2435 182 861 860 862 864 # HA CT2 CT1 HB
+ 2436 203 861 860 866 868 # HB CT1 C NH1
+ 2437 204 861 860 866 867 # HB CT1 C O
+ 2438 123 862 860 866 868 # CT2 CT1 C NH1
+ 2439 124 862 860 866 867 # CT2 CT1 C O
+ 2440 192 863 862 865 80 # HA CT2 SM SM
+ 2441 13 863 862 860 866 # C CT1 CT2 HA
+ 2442 192 864 862 865 80 # HA CT2 SM SM
+ 2443 13 864 862 860 866 # C CT1 CT2 HA
+ 2444 15 865 862 860 866 # C CT1 CT2 SM
+ 2445 20 866 868 870 873 # C CT2 NH1 C
+ 2446 33 866 868 870 871 # C NH1 CT2 HB
+ 2447 33 866 868 870 872 # C NH1 CT2 HB
+ 2448 164 867 866 868 869 # H NH1 C O
+ 2449 145 867 866 868 870 # CT2 NH1 C O
+ 2450 225 868 870 873 875 # NH1 C CT2 NH1
+ 2451 231 868 870 873 874 # NH1 CT2 C O
+ 2452 21 869 868 870 873 # C CT2 NH1 H
+ 2453 166 869 868 870 871 # H NH1 CT2 HB
+ 2454 166 869 868 870 872 # H NH1 CT2 HB
+ 2455 119 870 873 875 876 # CT2 C NH1 H
+ 2456 117 870 873 875 877 # CT2 C NH1 CT2
+ 2457 118 870 873 875 877 # CT2 C NH1 CT2
+ 2458 211 871 870 873 875 # HB CT2 C NH1
+ 2459 212 871 870 873 874 # HB CT2 C O
+ 2460 211 872 870 873 875 # HB CT2 C NH1
+ 2461 212 872 870 873 874 # HB CT2 C O
+ 2462 20 873 875 877 880 # C CT2 NH1 C
+ 2463 33 873 875 877 878 # C NH1 CT2 HB
+ 2464 33 873 875 877 879 # C NH1 CT2 HB
+ 2465 164 874 873 875 876 # H NH1 C O
+ 2466 145 874 873 875 877 # CT2 NH1 C O
+ 2467 225 875 877 880 882 # NH1 C CT2 NH1
+ 2468 231 875 877 880 881 # NH1 CT2 C O
+ 2469 21 876 875 877 880 # C CT2 NH1 H
+ 2470 166 876 875 877 878 # H NH1 CT2 HB
+ 2471 166 876 875 877 879 # H NH1 CT2 HB
+ 2472 119 877 880 882 883 # CT2 C NH1 H
+ 2473 114 877 880 882 884 # CT1 NH1 C CT2
+ 2474 115 877 880 882 884 # CT1 NH1 C CT2
+ 2475 211 878 877 880 882 # HB CT2 C NH1
+ 2476 212 878 877 880 881 # HB CT2 C O
+ 2477 211 879 877 880 882 # HB CT2 C NH1
+ 2478 212 879 877 880 881 # HB CT2 C O
+ 2479 31 880 882 884 886 # C NH1 CT1 CT3
+ 2480 28 880 882 884 890 # C NH1 CT1 CC
+ 2481 32 880 882 884 885 # C NH1 CT1 HB
+ 2482 164 881 880 882 883 # H NH1 C O
+ 2483 116 881 880 882 884 # CT1 NH1 C O
+ 2484 194 882 884 886 887 # HA CT3 CT1 NH1
+ 2485 194 882 884 886 888 # HA CT3 CT1 NH1
+ 2486 194 882 884 886 889 # HA CT3 CT1 NH1
+ 2487 227 882 884 890 892 # NH1 CT1 CC OC
+ 2488 227 882 884 890 891 # NH1 CT1 CC OC
+ 2489 158 883 882 884 886 # CT3 CT1 NH1 H
+ 2490 44 883 882 884 890 # CC CT1 NH1 H
+ 2491 165 883 882 884 885 # H NH1 CT1 HB
+ 2492 193 885 884 886 887 # HA CT3 CT1 HB
+ 2493 193 885 884 886 888 # HA CT3 CT1 HB
+ 2494 193 885 884 886 889 # HA CT3 CT1 HB
+ 2495 205 885 884 890 892 # HB CT1 CC OC
+ 2496 205 885 884 890 891 # HB CT1 CC OC
+ 2497 152 886 884 890 892 # CT3 CT1 CC OC
+ 2498 152 886 884 890 891 # CT3 CT1 CC OC
+ 2499 43 887 886 884 890 # CC CT1 CT3 HA
+ 2500 43 888 886 884 890 # CC CT1 CT3 HA
+ 2501 43 889 886 884 890 # CC CT1 CT3 HA
+
+Improper Coeffs
+
+ 1 120 0 # C CP1 N O
+ 2 120 0 # C CP1 NH1 O
+ 3 120 0 # C CT1 N O
+ 4 120 0 # C CT1 NH1 O
+ 5 120 0 # C CT2 N O
+ 6 120 0 # C CT2 NH1 O
+ 7 40 0 # C NC2 NC2 NC2
+ 8 96 0 # CC CT1 OC OC
+ 9 45 0 # CC CT2 NH2 O
+ 10 96 0 # CC CT2 OC OC
+ 11 45 0 # CC NH2 CT2 O
+ 12 0 0 # CP3 CP1 C N
+ 13 20 0 # H CT1 C NH1
+ 14 20 0 # H CT2 C NH1
+ 15 4 0 # H H CC NH2
+
+Impropers
+
+ 1 7 18 19 22 16 # C NC2 NC2 NC2
+ 2 3 25 5 27 26 # C CT1 N O
+ 3 2 39 31 41 40 # C CP1 NH1 O
+ 4 13 41 39 43 42 # H CT1 C NH1
+ 5 10 48 45 50 49 # CC CT2 OC OC
+ 6 4 51 43 53 52 # C CT1 NH1 O
+ 7 13 53 51 55 54 # H CT1 C NH1
+ 8 4 71 55 73 72 # C CT1 NH1 O
+ 9 13 73 71 75 74 # H CT1 C NH1
+ 10 4 81 75 83 82 # C CT1 NH1 O
+ 11 13 83 81 85 84 # H CT1 C NH1
+ 12 4 100 85 102 101 # C CT1 NH1 O
+ 13 13 102 100 104 103 # H CT1 C NH1
+ 14 10 112 109 114 113 # CC CT2 OC OC
+ 15 3 115 104 117 116 # C CT1 N O
+ 16 1 129 121 131 130 # C CP1 N O
+ 17 2 143 135 145 144 # C CP1 NH1 O
+ 18 13 145 143 147 146 # H CT1 C NH1
+ 19 4 164 147 166 165 # C CT1 NH1 O
+ 20 13 166 164 168 167 # H CT1 C NH1
+ 21 4 178 168 180 179 # C CT1 NH1 O
+ 22 14 180 178 182 181 # H CT2 C NH1
+ 23 5 185 182 187 186 # C CT2 N O
+ 24 2 199 191 201 200 # C CP1 NH1 O
+ 25 13 201 199 203 202 # H CT1 C NH1
+ 26 4 209 203 211 210 # C CT1 NH1 O
+ 27 13 211 209 213 212 # H CT1 C NH1
+ 28 4 231 213 233 232 # C CT1 NH1 O
+ 29 13 233 231 235 234 # H CT1 C NH1
+ 30 4 241 235 243 242 # C CT1 NH1 O
+ 31 13 243 241 245 244 # H CT1 C NH1
+ 32 7 258 259 262 256 # C NC2 NC2 NC2
+ 33 4 265 245 267 266 # C CT1 NH1 O
+ 34 13 267 265 269 268 # H CT1 C NH1
+ 35 4 284 269 286 285 # C CT1 NH1 O
+ 36 13 286 284 288 287 # H CT1 C NH1
+ 37 4 303 288 305 304 # C CT1 NH1 O
+ 38 13 305 303 307 306 # H CT1 C NH1
+ 39 7 320 321 324 318 # C NC2 NC2 NC2
+ 40 4 327 307 329 328 # C CT1 NH1 O
+ 41 13 329 327 331 330 # H CT1 C NH1
+ 42 4 348 331 350 349 # C CT1 NH1 O
+ 43 13 350 348 352 351 # H CT1 C NH1
+ 44 4 368 352 370 369 # C CT1 NH1 O
+ 45 13 370 368 372 371 # H CT1 C NH1
+ 46 4 389 372 391 390 # C CT1 NH1 O
+ 47 13 391 389 393 392 # H CT1 C NH1
+ 48 11 398 400 395 399 # CC NH2 CT2 O
+ 49 9 398 395 400 399 # CC CT2 NH2 O
+ 50 15 400 398 401 402 # H H CC NH2
+ 51 15 400 398 402 401 # H H CC NH2
+ 52 4 403 393 405 404 # C CT1 NH1 O
+ 53 13 405 403 407 406 # H CT1 C NH1
+ 54 4 413 407 415 414 # C CT1 NH1 O
+ 55 13 415 413 417 416 # H CT1 C NH1
+ 56 4 435 417 437 436 # C CT1 NH1 O
+ 57 13 437 435 439 438 # H CT1 C NH1
+ 58 4 445 439 447 446 # C CT1 NH1 O
+ 59 14 447 445 449 448 # H CT2 C NH1
+ 60 6 452 449 454 453 # C CT2 NH1 O
+ 61 13 454 452 456 455 # H CT1 C NH1
+ 62 4 471 456 473 472 # C CT1 NH1 O
+ 63 13 473 471 475 474 # H CT1 C NH1
+ 64 4 481 475 483 482 # C CT1 NH1 O
+ 65 13 483 481 485 484 # H CT1 C NH1
+ 66 11 493 495 490 494 # CC NH2 CT2 O
+ 67 9 493 490 495 494 # CC CT2 NH2 O
+ 68 15 495 493 496 497 # H H CC NH2
+ 69 15 495 493 497 496 # H H CC NH2
+ 70 4 498 485 500 499 # C CT1 NH1 O
+ 71 13 500 498 502 501 # H CT1 C NH1
+ 72 4 512 502 514 513 # C CT1 NH1 O
+ 73 13 514 512 516 515 # H CT1 C NH1
+ 74 4 532 516 534 533 # C CT1 NH1 O
+ 75 13 534 532 536 535 # H CT1 C NH1
+ 76 4 548 536 550 549 # C CT1 NH1 O
+ 77 13 550 548 552 551 # H CT1 C NH1
+ 78 4 569 552 571 570 # C CT1 NH1 O
+ 79 14 571 569 573 572 # H CT2 C NH1
+ 80 6 576 573 578 577 # C CT2 NH1 O
+ 81 14 578 576 580 579 # H CT2 C NH1
+ 82 6 583 580 585 584 # C CT2 NH1 O
+ 83 13 585 583 587 586 # H CT1 C NH1
+ 84 4 593 587 595 594 # C CT1 NH1 O
+ 85 13 595 593 597 596 # H CT1 C NH1
+ 86 7 610 611 614 608 # C NC2 NC2 NC2
+ 87 4 617 597 619 618 # C CT1 NH1 O
+ 88 13 619 617 621 620 # H CT1 C NH1
+ 89 4 627 621 629 628 # C CT1 NH1 O
+ 90 13 629 627 631 630 # H CT1 C NH1
+ 91 4 649 631 651 650 # C CT1 NH1 O
+ 92 13 651 649 653 652 # H CT1 C NH1
+ 93 7 666 667 670 664 # C NC2 NC2 NC2
+ 94 4 673 653 675 674 # C CT1 NH1 O
+ 95 13 675 673 677 676 # H CT1 C NH1
+ 96 11 682 684 679 683 # CC NH2 CT2 O
+ 97 9 682 679 684 683 # CC CT2 NH2 O
+ 98 15 684 682 685 686 # H H CC NH2
+ 99 15 684 682 686 685 # H H CC NH2
+ 100 4 687 677 689 688 # C CT1 NH1 O
+ 101 13 689 687 691 690 # H CT1 C NH1
+ 102 11 696 698 693 697 # CC NH2 CT2 O
+ 103 9 696 693 698 697 # CC CT2 NH2 O
+ 104 15 698 696 699 700 # H H CC NH2
+ 105 15 698 696 700 699 # H H CC NH2
+ 106 4 701 691 703 702 # C CT1 NH1 O
+ 107 13 703 701 705 704 # H CT1 C NH1
+ 108 4 721 705 723 722 # C CT1 NH1 O
+ 109 13 723 721 725 724 # H CT1 C NH1
+ 110 4 743 725 745 744 # C CT1 NH1 O
+ 111 13 745 743 747 746 # H CT1 C NH1
+ 112 4 754 747 756 755 # C CT1 NH1 O
+ 113 13 756 754 758 757 # H CT1 C NH1
+ 114 4 764 758 766 765 # C CT1 NH1 O
+ 115 13 766 764 768 767 # H CT1 C NH1
+ 116 10 776 773 778 777 # CC CT2 OC OC
+ 117 4 779 768 781 780 # C CT1 NH1 O
+ 118 13 781 779 783 782 # H CT1 C NH1
+ 119 10 788 785 790 789 # CC CT2 OC OC
+ 120 4 791 783 793 792 # C CT1 NH1 O
+ 121 13 793 791 795 794 # H CT1 C NH1
+ 122 4 801 795 803 802 # C CT1 NH1 O
+ 123 13 803 801 805 804 # H CT1 C NH1
+ 124 4 818 805 820 819 # C CT1 NH1 O
+ 125 13 820 818 822 821 # H CT1 C NH1
+ 126 7 835 836 839 833 # C NC2 NC2 NC2
+ 127 4 842 822 844 843 # C CT1 NH1 O
+ 128 13 844 842 846 845 # H CT1 C NH1
+ 129 4 856 846 858 857 # C CT1 NH1 O
+ 130 13 858 856 860 859 # H CT1 C NH1
+ 131 4 866 860 868 867 # C CT1 NH1 O
+ 132 14 868 866 870 869 # H CT2 C NH1
+ 133 6 873 870 875 874 # C CT2 NH1 O
+ 134 14 875 873 877 876 # H CT2 C NH1
+ 135 6 880 877 882 881 # C CT2 NH1 O
+ 136 13 882 880 884 883 # H CT1 C NH1
+ 137 8 890 884 892 891 # CC CT1 OC OC
+
diff --git a/examples/USER/misc/filter-corotate/bpti/4pti.in b/examples/USER/misc/filter-corotate/bpti/4pti.in
new file mode 100644
index 000000000..216eb4c06
--- /dev/null
+++ b/examples/USER/misc/filter-corotate/bpti/4pti.in
@@ -0,0 +1,36 @@
+
+units real
+neigh_modify delay 2 every 1
+
+include system.in.init
+
+read_data 4pti.data
+
+special_bonds charmm
+
+
+# ------------- MINIMIZE ----------
+
+minimize 1e-4 1e-6 1000 10000
+
+
+# ------------- RUN ---------------
+
+thermo 100
+thermo_style multi
+timestep 8
+
+run_style respa 3 2 8 bond 1 pair 2 kspace 3
+
+velocity all create 200.0 12345678 dist uniform
+dump dump1 all atom 100 4pti.dump
+
+fix 1 all nvt temp 200 300 25
+fix cor all filter/corotate m 1.0
+
+run 10000
+
+unfix cor
+unfix 1
+
+write_restart BPTI_equil
diff --git a/examples/USER/misc/filter-corotate/bpti/log.lammps b/examples/USER/misc/filter-corotate/bpti/log.lammps
new file mode 100644
index 000000000..f0cad88dd
--- /dev/null
+++ b/examples/USER/misc/filter-corotate/bpti/log.lammps
@@ -0,0 +1,705 @@
+LAMMPS (26 Jan 2017)
+
+units real
+neigh_modify delay 2 every 1
+
+include system.in.init
+ atom_style full
+ bond_style harmonic
+ angle_style charmm
+ dihedral_style charmm
+ improper_style harmonic
+
+ pair_style lj/charmm/coul/long 8 10
+ pair_modify mix arithmetic
+ kspace_style pppm 1e-4
+
+
+read_data 4pti.data
+ orthogonal box = (-10 -10 -30) to (50 50 30)
+ 1 by 2 by 2 MPI processor grid
+ reading atoms ...
+ 892 atoms
+ scanning bonds ...
+ 4 = max bonds/atom
+ scanning angles ...
+ 6 = max angles/atom
+ scanning dihedrals ...
+ 18 = max dihedrals/atom
+ scanning impropers ...
+ 2 = max impropers/atom
+ reading bonds ...
+ 906 bonds
+ reading angles ...
+ 1626 angles
+ reading dihedrals ...
+ 2501 dihedrals
+ reading impropers ...
+ 137 impropers
+ 4 = max # of 1-2 neighbors
+ 9 = max # of 1-3 neighbors
+ 19 = max # of 1-4 neighbors
+ 21 = max # of special neighbors
+
+special_bonds charmm
+
+
+# ------------- MINIMIZE ----------
+
+minimize 1e-4 1e-6 1000 10000
+WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168)
+PPPM initialization ...
+WARNING: System is not charge neutral, net charge = 6 (../kspace.cpp:298)
+WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:317)
+ G vector (1/distance) = 0.203272
+ grid = 16 16 16
+ stencil order = 5
+ estimated absolute RMS force accuracy = 0.0316399
+ estimated relative force accuracy = 9.52826e-05
+ using double precision FFTs
+ 3d grid and FFT values/proc = 3549 1024
+Neighbor list info ...
+ update every 1 steps, delay 0 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 12
+ ghost atom cutoff = 12
+ binsize = 6, bins = 10 10 10
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair lj/charmm/coul/long, half, perpetual
+ pair build: half/bin/newton
+ stencil: half/bin/3d/newton
+ bin: standard
+Memory usage per processor = 16.9693 Mbytes
+Step Temp E_pair E_mol TotEng Press
+ 0 0 -3075.6498 943.91164 -2131.7381 -380.67776
+ 241 0 -4503.3131 749.58666 -3753.7264 -29.045082
+Loop time of 0.870402 on 4 procs for 241 steps with 892 atoms
+
+98.4% CPU use with 4 MPI tasks x no OpenMP threads
+
+Minimization stats:
+ Stopping criterion = energy tolerance
+ Energy initial, next-to-last, final =
+ -2131.73812515 -3753.43985766 -3753.72640886
+ Force two-norm initial, final = 1086.21 26.3688
+ Force max component initial, final = 310.811 3.92758
+ Final line search alpha, max atom move = 0.00596649 0.0234339
+ Iterations, force evaluations = 241 463
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 0.26264 | 0.45712 | 0.60755 | 19.1 | 52.52
+Bond | 0.0165 | 0.038426 | 0.055693 | 7.7 | 4.41
+Kspace | 0.17897 | 0.34583 | 0.56313 | 24.1 | 39.73
+Neigh | 0.01432 | 0.014404 | 0.014488 | 0.1 | 1.65
+Comm | 0.0059164 | 0.0078539 | 0.0098884 | 1.6 | 0.90
+Output | 0 | 0 | 0 | 0.0 | 0.00
+Modify | 0 | 0 | 0 | 0.0 | 0.00
+Other | | 0.00677 | | | 0.78
+
+Nlocal: 223 ave 323 max 89 min
+Histogram: 1 0 0 0 1 0 0 0 1 1
+Nghost: 613 ave 675 max 557 min
+Histogram: 1 0 0 1 0 1 0 0 0 1
+Neighs: 37222.8 ave 50005 max 20830 min
+Histogram: 1 0 0 0 1 0 0 1 0 1
+
+Total # of neighbors = 148891
+Ave neighs/atom = 166.918
+Ave special neighs/atom = 10.9395
+Neighbor list builds = 15
+Dangerous builds = 0
+
+
+# ------------- RUN ---------------
+
+thermo 100
+thermo_style multi
+timestep 8
+
+run_style respa 3 2 8 bond 1 pair 2 kspace 3
+Respa levels:
+ 1 = bond angle dihedral improper
+ 2 = pair
+ 3 = kspace
+
+velocity all create 200.0 12345678 dist uniform
+dump dump1 all atom 100 4pti.dump
+
+fix 1 all nvt temp 200 300 25
+fix cor all filter/corotate m 1.0
+ 163 = # of size 2 clusters
+ 0 = # of size 3 clusters
+ 25 = # of size 4 clusters
+ 0 = # of size 5 clusters
+ 100 = # of frozen angles
+
+run 10000
+PPPM initialization ...
+WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:317)
+ G vector (1/distance) = 0.203272
+ grid = 16 16 16
+ stencil order = 5
+ estimated absolute RMS force accuracy = 0.0316399
+ estimated relative force accuracy = 9.52826e-05
+ using double precision FFTs
+ 3d grid and FFT values/proc = 3549 1024
+Memory usage per processor = 17.142 Mbytes
+---------------- Step 241 ----- CPU = 0.0000 (sec) ----------------
+TotEng = -3220.3378 KinEng = 531.1804 Temp = 200.0000
+PotEng = -3751.5182 E_bond = 42.2810 E_angle = 345.2593
+E_dihed = 337.8361 E_impro = 24.2103 E_vdwl = -288.5339
+E_coul = -886.3622 E_long = -3326.2088 Press = 83.2283
+---------------- Step 300 ----- CPU = 0.5825 (sec) ----------------
+TotEng = -2772.9432 KinEng = 523.1156 Temp = 196.9635
+PotEng = -3296.0588 E_bond = 181.3316 E_angle = 521.0952
+E_dihed = 383.7103 E_impro = 36.2704 E_vdwl = -278.1519
+E_coul = -808.2367 E_long = -3332.0777 Press = -53.7728
+---------------- Step 400 ----- CPU = 1.5692 (sec) ----------------
+TotEng = -2768.2546 KinEng = 529.1491 Temp = 199.2352
+PotEng = -3297.4037 E_bond = 197.9740 E_angle = 560.5585
+E_dihed = 399.0297 E_impro = 30.2332 E_vdwl = -239.0558
+E_coul = -908.5701 E_long = -3337.5732 Press = -14.8873
+---------------- Step 500 ----- CPU = 2.5452 (sec) ----------------
+TotEng = -2807.5560 KinEng = 532.1109 Temp = 200.3504
+PotEng = -3339.6669 E_bond = 187.7016 E_angle = 533.2787
+E_dihed = 381.6501 E_impro = 36.0212 E_vdwl = -239.3347
+E_coul = -897.2375 E_long = -3341.7463 Press = -31.1463
+---------------- Step 600 ----- CPU = 3.4829 (sec) ----------------
+TotEng = -2797.3491 KinEng = 545.9460 Temp = 205.5596
+PotEng = -3343.2951 E_bond = 184.9046 E_angle = 548.8444
+E_dihed = 385.8583 E_impro = 35.7923 E_vdwl = -236.1192
+E_coul = -915.5958 E_long = -3346.9797 Press = -114.5599
+---------------- Step 700 ----- CPU = 4.4101 (sec) ----------------
+TotEng = -2847.1093 KinEng = 544.1043 Temp = 204.8661
+PotEng = -3391.2135 E_bond = 195.4286 E_angle = 545.8848
+E_dihed = 390.2441 E_impro = 35.2312 E_vdwl = -245.1111
+E_coul = -977.4350 E_long = -3335.4560 Press = -75.8944
+---------------- Step 800 ----- CPU = 5.3551 (sec) ----------------
+TotEng = -2827.9493 KinEng = 565.6488 Temp = 212.9780
+PotEng = -3393.5980 E_bond = 195.7451 E_angle = 549.0863
+E_dihed = 377.8729 E_impro = 40.6960 E_vdwl = -218.5439
+E_coul = -995.0702 E_long = -3343.3842 Press = -28.3879
+---------------- Step 900 ----- CPU = 6.3195 (sec) ----------------
+TotEng = -2851.9081 KinEng = 555.7192 Temp = 209.2393
+PotEng = -3407.6272 E_bond = 180.0814 E_angle = 558.9056
+E_dihed = 383.9971 E_impro = 30.1466 E_vdwl = -215.6945
+E_coul = -1006.1478 E_long = -3338.9156 Press = 147.5178
+---------------- Step 1000 ----- CPU = 7.3221 (sec) ----------------
+TotEng = -2839.5000 KinEng = 539.5433 Temp = 203.1488
+PotEng = -3379.0432 E_bond = 189.0382 E_angle = 563.1204
+E_dihed = 376.6688 E_impro = 39.3375 E_vdwl = -215.4325
+E_coul = -995.4610 E_long = -3336.3146 Press = -31.6144
+---------------- Step 1100 ----- CPU = 8.2417 (sec) ----------------
+TotEng = -2844.6804 KinEng = 556.0032 Temp = 209.3463
+PotEng = -3400.6836 E_bond = 187.7618 E_angle = 559.4066
+E_dihed = 363.4841 E_impro = 38.5648 E_vdwl = -238.0760
+E_coul = -970.6614 E_long = -3341.1633 Press = -56.2838
+---------------- Step 1200 ----- CPU = 9.1521 (sec) ----------------
+TotEng = -2839.6265 KinEng = 551.6993 Temp = 207.7258
+PotEng = -3391.3258 E_bond = 199.7412 E_angle = 564.9663
+E_dihed = 394.3803 E_impro = 34.7852 E_vdwl = -251.8720
+E_coul = -990.7418 E_long = -3342.5850 Press = -34.8501
+---------------- Step 1300 ----- CPU = 10.0769 (sec) ----------------
+TotEng = -2868.0625 KinEng = 572.4410 Temp = 215.5355
+PotEng = -3440.5035 E_bond = 198.9955 E_angle = 566.0100
+E_dihed = 370.7960 E_impro = 30.0945 E_vdwl = -236.1481
+E_coul = -1035.1271 E_long = -3335.1244 Press = 19.4140
+---------------- Step 1400 ----- CPU = 10.9951 (sec) ----------------
+TotEng = -2800.7717 KinEng = 588.4163 Temp = 221.5505
+PotEng = -3389.1880 E_bond = 210.7336 E_angle = 589.3354
+E_dihed = 379.6028 E_impro = 36.7933 E_vdwl = -210.4855
+E_coul = -1052.0263 E_long = -3343.1414 Press = -21.6471
+---------------- Step 1500 ----- CPU = 11.9139 (sec) ----------------
+TotEng = -2826.4883 KinEng = 548.8833 Temp = 206.6655
+PotEng = -3375.3716 E_bond = 206.2588 E_angle = 587.7388
+E_dihed = 385.0180 E_impro = 35.8288 E_vdwl = -224.8238
+E_coul = -1027.6650 E_long = -3337.7272 Press = 32.7176
+---------------- Step 1600 ----- CPU = 12.8228 (sec) ----------------
+TotEng = -2834.7829 KinEng = 585.1197 Temp = 220.3093
+PotEng = -3419.9026 E_bond = 211.6949 E_angle = 580.8055
+E_dihed = 375.4347 E_impro = 32.9507 E_vdwl = -216.2341
+E_coul = -1065.2545 E_long = -3339.2997 Press = 29.5762
+---------------- Step 1700 ----- CPU = 13.7309 (sec) ----------------
+TotEng = -2862.6332 KinEng = 573.1120 Temp = 215.7881
+PotEng = -3435.7452 E_bond = 206.7642 E_angle = 560.3937
+E_dihed = 363.9108 E_impro = 34.2460 E_vdwl = -232.7830
+E_coul = -1022.7145 E_long = -3345.5624 Press = -93.9393
+---------------- Step 1800 ----- CPU = 14.6352 (sec) ----------------
+TotEng = -2862.4318 KinEng = 542.3768 Temp = 204.2157
+PotEng = -3404.8085 E_bond = 211.1760 E_angle = 585.2517
+E_dihed = 369.7922 E_impro = 31.2026 E_vdwl = -223.1523
+E_coul = -1036.4965 E_long = -3342.5822 Press = -111.5865
+---------------- Step 1900 ----- CPU = 15.5415 (sec) ----------------
+TotEng = -2846.9891 KinEng = 561.2261 Temp = 211.3128
+PotEng = -3408.2152 E_bond = 210.0759 E_angle = 595.2289
+E_dihed = 356.8271 E_impro = 34.7545 E_vdwl = -235.1305
+E_coul = -1030.0427 E_long = -3339.9284 Press = -53.6864
+---------------- Step 2000 ----- CPU = 16.4648 (sec) ----------------
+TotEng = -2829.7971 KinEng = 565.7821 Temp = 213.0283
+PotEng = -3395.5793 E_bond = 203.7783 E_angle = 595.5818
+E_dihed = 359.5054 E_impro = 34.3189 E_vdwl = -236.0428
+E_coul = -1005.7613 E_long = -3346.9594 Press = -4.1617
+---------------- Step 2100 ----- CPU = 17.3744 (sec) ----------------
+TotEng = -2840.7272 KinEng = 569.9248 Temp = 214.5881
+PotEng = -3410.6521 E_bond = 208.6289 E_angle = 610.0178
+E_dihed = 373.4347 E_impro = 37.0381 E_vdwl = -212.0405
+E_coul = -1081.0793 E_long = -3346.6517 Press = -68.5921
+---------------- Step 2200 ----- CPU = 18.2957 (sec) ----------------
+TotEng = -2848.3381 KinEng = 579.8884 Temp = 218.3396
+PotEng = -3428.2265 E_bond = 211.6135 E_angle = 566.1155
+E_dihed = 369.3071 E_impro = 41.5661 E_vdwl = -228.6990
+E_coul = -1049.2589 E_long = -3338.8709 Press = -0.6188
+---------------- Step 2300 ----- CPU = 19.2318 (sec) ----------------
+TotEng = -2866.6022 KinEng = 554.9055 Temp = 208.9330
+PotEng = -3421.5078 E_bond = 213.4553 E_angle = 581.9918
+E_dihed = 345.5661 E_impro = 29.6695 E_vdwl = -225.0851
+E_coul = -1025.8102 E_long = -3341.2951 Press = -54.2678
+---------------- Step 2400 ----- CPU = 20.1702 (sec) ----------------
+TotEng = -2736.2120 KinEng = 619.4005 Temp = 233.2167
+PotEng = -3355.6126 E_bond = 244.4505 E_angle = 626.9133
+E_dihed = 367.3306 E_impro = 29.8818 E_vdwl = -222.0040
+E_coul = -1058.9434 E_long = -3343.2413 Press = 110.8718
+---------------- Step 2500 ----- CPU = 21.1225 (sec) ----------------
+TotEng = -2813.8735 KinEng = 583.8695 Temp = 219.8385
+PotEng = -3397.7429 E_bond = 226.4043 E_angle = 598.3223
+E_dihed = 361.7122 E_impro = 35.8640 E_vdwl = -206.9312
+E_coul = -1068.6968 E_long = -3344.4179 Press = 19.4510
+---------------- Step 2600 ----- CPU = 22.1046 (sec) ----------------
+TotEng = -2816.9143 KinEng = 584.2235 Temp = 219.9718
+PotEng = -3401.1378 E_bond = 224.0860 E_angle = 621.4548
+E_dihed = 369.5020 E_impro = 36.2512 E_vdwl = -219.2208
+E_coul = -1090.6300 E_long = -3342.5809 Press = -25.4161
+---------------- Step 2700 ----- CPU = 23.1427 (sec) ----------------
+TotEng = -2833.9038 KinEng = 566.1402 Temp = 213.1631
+PotEng = -3400.0439 E_bond = 219.4478 E_angle = 599.9801
+E_dihed = 363.9691 E_impro = 35.1792 E_vdwl = -226.3864
+E_coul = -1047.2322 E_long = -3345.0016 Press = 35.2272
+---------------- Step 2800 ----- CPU = 24.2100 (sec) ----------------
+TotEng = -2812.4818 KinEng = 609.3098 Temp = 229.4173
+PotEng = -3421.7917 E_bond = 223.5342 E_angle = 606.7627
+E_dihed = 378.9288 E_impro = 40.0406 E_vdwl = -213.3048
+E_coul = -1115.0387 E_long = -3342.7145 Press = 30.9634
+---------------- Step 2900 ----- CPU = 25.2359 (sec) ----------------
+TotEng = -2805.0268 KinEng = 596.5851 Temp = 224.6262
+PotEng = -3401.6119 E_bond = 208.7705 E_angle = 619.2197
+E_dihed = 368.9227 E_impro = 44.4224 E_vdwl = -221.0793
+E_coul = -1077.2976 E_long = -3344.5703 Press = 0.5405
+---------------- Step 3000 ----- CPU = 26.2911 (sec) ----------------
+TotEng = -2800.8697 KinEng = 605.6835 Temp = 228.0519
+PotEng = -3406.5532 E_bond = 229.1397 E_angle = 583.6455
+E_dihed = 369.8828 E_impro = 35.2221 E_vdwl = -211.6751
+E_coul = -1071.0650 E_long = -3341.7031 Press = -45.7465
+---------------- Step 3100 ----- CPU = 27.3100 (sec) ----------------
+TotEng = -2821.0600 KinEng = 592.4503 Temp = 223.0694
+PotEng = -3413.5103 E_bond = 207.5049 E_angle = 594.6270
+E_dihed = 364.3845 E_impro = 39.8842 E_vdwl = -218.3073
+E_coul = -1058.0689 E_long = -3343.5348 Press = 6.3405
+---------------- Step 3200 ----- CPU = 28.3245 (sec) ----------------
+TotEng = -2790.9473 KinEng = 595.6527 Temp = 224.2751
+PotEng = -3386.6000 E_bond = 226.8372 E_angle = 625.9104
+E_dihed = 364.6819 E_impro = 39.3205 E_vdwl = -212.4097
+E_coul = -1090.7715 E_long = -3340.1687 Press = -15.3432
+---------------- Step 3300 ----- CPU = 29.3831 (sec) ----------------
+TotEng = -2796.5252 KinEng = 604.8560 Temp = 227.7403
+PotEng = -3401.3812 E_bond = 244.9208 E_angle = 605.3152
+E_dihed = 375.6013 E_impro = 35.8121 E_vdwl = -234.8673
+E_coul = -1084.0989 E_long = -3344.0644 Press = -69.1298
+---------------- Step 3400 ----- CPU = 30.4870 (sec) ----------------
+TotEng = -2768.1826 KinEng = 623.6692 Temp = 234.8239
+PotEng = -3391.8518 E_bond = 217.6554 E_angle = 611.2002
+E_dihed = 358.2967 E_impro = 38.4652 E_vdwl = -220.0592
+E_coul = -1051.5656 E_long = -3345.8445 Press = 41.0213
+---------------- Step 3500 ----- CPU = 31.6175 (sec) ----------------
+TotEng = -2772.6252 KinEng = 628.0355 Temp = 236.4679
+PotEng = -3400.6607 E_bond = 229.9673 E_angle = 602.8571
+E_dihed = 363.3657 E_impro = 40.5411 E_vdwl = -219.5383
+E_coul = -1074.1100 E_long = -3343.7434 Press = 148.0665
+---------------- Step 3600 ----- CPU = 32.7615 (sec) ----------------
+TotEng = -2756.7832 KinEng = 635.2297 Temp = 239.1767
+PotEng = -3392.0130 E_bond = 223.8752 E_angle = 629.9327
+E_dihed = 381.0499 E_impro = 31.9181 E_vdwl = -202.2525
+E_coul = -1115.7155 E_long = -3340.8208 Press = -170.4982
+---------------- Step 3700 ----- CPU = 33.8950 (sec) ----------------
+TotEng = -2745.8971 KinEng = 641.2694 Temp = 241.4507
+PotEng = -3387.1665 E_bond = 236.0180 E_angle = 604.4242
+E_dihed = 385.0115 E_impro = 33.4784 E_vdwl = -201.2400
+E_coul = -1102.8025 E_long = -3342.0561 Press = 116.4307
+---------------- Step 3800 ----- CPU = 35.0163 (sec) ----------------
+TotEng = -2755.6607 KinEng = 645.3185 Temp = 242.9753
+PotEng = -3400.9792 E_bond = 226.7585 E_angle = 593.9302
+E_dihed = 370.7085 E_impro = 36.8293 E_vdwl = -190.9386
+E_coul = -1091.2447 E_long = -3347.0224 Press = 257.0583
+---------------- Step 3900 ----- CPU = 36.1502 (sec) ----------------
+TotEng = -2798.0422 KinEng = 619.8708 Temp = 233.3937
+PotEng = -3417.9130 E_bond = 216.0354 E_angle = 589.9940
+E_dihed = 373.7881 E_impro = 34.0169 E_vdwl = -233.6795
+E_coul = -1049.2242 E_long = -3348.8435 Press = 80.2274
+---------------- Step 4000 ----- CPU = 37.3067 (sec) ----------------
+TotEng = -2705.8005 KinEng = 665.6801 Temp = 250.6419
+PotEng = -3371.4807 E_bond = 264.5680 E_angle = 591.4868
+E_dihed = 352.8245 E_impro = 33.8195 E_vdwl = -213.0503
+E_coul = -1053.2507 E_long = -3347.8784 Press = 74.3631
+---------------- Step 4100 ----- CPU = 38.4122 (sec) ----------------
+TotEng = -2752.6654 KinEng = 636.8851 Temp = 239.8000
+PotEng = -3389.5505 E_bond = 239.5334 E_angle = 590.5211
+E_dihed = 378.9495 E_impro = 38.3818 E_vdwl = -220.9157
+E_coul = -1067.2138 E_long = -3348.8068 Press = -107.6075
+---------------- Step 4200 ----- CPU = 39.5014 (sec) ----------------
+TotEng = -2765.1769 KinEng = 623.1864 Temp = 234.6421
+PotEng = -3388.3633 E_bond = 223.6098 E_angle = 619.8623
+E_dihed = 375.5639 E_impro = 39.6123 E_vdwl = -224.0185
+E_coul = -1070.2010 E_long = -3352.7920 Press = -234.4084
+---------------- Step 4300 ----- CPU = 40.6059 (sec) ----------------
+TotEng = -2717.3032 KinEng = 653.4752 Temp = 246.0465
+PotEng = -3370.7784 E_bond = 234.9615 E_angle = 607.5922
+E_dihed = 393.9374 E_impro = 38.8199 E_vdwl = -221.7391
+E_coul = -1074.8529 E_long = -3349.4974 Press = -27.5271
+---------------- Step 4400 ----- CPU = 41.6876 (sec) ----------------
+TotEng = -2783.5499 KinEng = 620.4917 Temp = 233.6275
+PotEng = -3404.0416 E_bond = 222.1994 E_angle = 604.8699
+E_dihed = 386.0154 E_impro = 36.0632 E_vdwl = -213.4643
+E_coul = -1088.8703 E_long = -3350.8550 Press = 82.1988
+---------------- Step 4500 ----- CPU = 42.7669 (sec) ----------------
+TotEng = -2721.8812 KinEng = 660.9223 Temp = 248.8504
+PotEng = -3382.8036 E_bond = 235.0157 E_angle = 623.4054
+E_dihed = 361.5998 E_impro = 30.0694 E_vdwl = -196.3192
+E_coul = -1087.4447 E_long = -3349.1300 Press = 6.0321
+---------------- Step 4600 ----- CPU = 43.8528 (sec) ----------------
+TotEng = -2719.4559 KinEng = 666.3429 Temp = 250.8914
+PotEng = -3385.7988 E_bond = 219.1695 E_angle = 631.7745
+E_dihed = 375.5102 E_impro = 39.6799 E_vdwl = -219.3157
+E_coul = -1087.6117 E_long = -3345.0056 Press = 38.0280
+---------------- Step 4700 ----- CPU = 44.9336 (sec) ----------------
+TotEng = -2689.2061 KinEng = 681.8515 Temp = 256.7307
+PotEng = -3371.0576 E_bond = 246.1648 E_angle = 605.1298
+E_dihed = 376.2968 E_impro = 33.5041 E_vdwl = -213.1195
+E_coul = -1069.0449 E_long = -3349.9887 Press = -58.9647
+---------------- Step 4800 ----- CPU = 46.0101 (sec) ----------------
+TotEng = -2698.1496 KinEng = 643.8263 Temp = 242.4134
+PotEng = -3341.9759 E_bond = 267.0239 E_angle = 614.0844
+E_dihed = 394.9058 E_impro = 42.4623 E_vdwl = -206.4540
+E_coul = -1105.4257 E_long = -3348.5725 Press = 101.1932
+---------------- Step 4900 ----- CPU = 47.1068 (sec) ----------------
+TotEng = -2705.1842 KinEng = 666.5820 Temp = 250.9814
+PotEng = -3371.7662 E_bond = 250.0471 E_angle = 632.1282
+E_dihed = 385.5483 E_impro = 41.7445 E_vdwl = -211.4084
+E_coul = -1122.4043 E_long = -3347.4214 Press = 133.6209
+---------------- Step 5000 ----- CPU = 48.1741 (sec) ----------------
+TotEng = -2690.0438 KinEng = 679.6710 Temp = 255.9097
+PotEng = -3369.7148 E_bond = 243.0323 E_angle = 607.4697
+E_dihed = 382.6331 E_impro = 35.4124 E_vdwl = -204.7224
+E_coul = -1085.6309 E_long = -3347.9090 Press = 66.3863
+---------------- Step 5100 ----- CPU = 49.1934 (sec) ----------------
+TotEng = -2718.3458 KinEng = 650.7864 Temp = 245.0341
+PotEng = -3369.1322 E_bond = 268.8298 E_angle = 589.1404
+E_dihed = 377.7868 E_impro = 33.5961 E_vdwl = -203.6094
+E_coul = -1085.7743 E_long = -3349.1017 Press = 47.6541
+---------------- Step 5200 ----- CPU = 50.2147 (sec) ----------------
+TotEng = -2639.5739 KinEng = 676.4342 Temp = 254.6910
+PotEng = -3316.0081 E_bond = 270.2839 E_angle = 616.8283
+E_dihed = 382.5201 E_impro = 32.7417 E_vdwl = -206.2442
+E_coul = -1066.9338 E_long = -3345.2041 Press = 128.4308
+---------------- Step 5300 ----- CPU = 51.2539 (sec) ----------------
+TotEng = -2741.2287 KinEng = 646.9560 Temp = 243.5918
+PotEng = -3388.1847 E_bond = 232.3573 E_angle = 599.5414
+E_dihed = 373.7950 E_impro = 39.2636 E_vdwl = -190.9456
+E_coul = -1094.9975 E_long = -3347.1989 Press = 39.6030
+---------------- Step 5400 ----- CPU = 52.2903 (sec) ----------------
+TotEng = -2667.7852 KinEng = 676.4295 Temp = 254.6892
+PotEng = -3344.2147 E_bond = 248.9502 E_angle = 610.3430
+E_dihed = 370.7076 E_impro = 38.4238 E_vdwl = -201.8432
+E_coul = -1065.7313 E_long = -3345.0649 Press = -17.3072
+---------------- Step 5500 ----- CPU = 53.3868 (sec) ----------------
+TotEng = -2618.3856 KinEng = 709.8931 Temp = 267.2889
+PotEng = -3328.2787 E_bond = 265.2067 E_angle = 625.4374
+E_dihed = 367.5087 E_impro = 39.5594 E_vdwl = -214.1194
+E_coul = -1063.8651 E_long = -3348.0062 Press = -33.5344
+---------------- Step 5600 ----- CPU = 54.4341 (sec) ----------------
+TotEng = -2691.7785 KinEng = 667.4646 Temp = 251.3137
+PotEng = -3359.2431 E_bond = 259.9639 E_angle = 619.5561
+E_dihed = 364.2642 E_impro = 36.3273 E_vdwl = -209.9347
+E_coul = -1076.2202 E_long = -3353.1996 Press = -74.4756
+---------------- Step 5700 ----- CPU = 55.4793 (sec) ----------------
+TotEng = -2637.4348 KinEng = 679.9362 Temp = 256.0096
+PotEng = -3317.3711 E_bond = 278.8708 E_angle = 631.3769
+E_dihed = 369.3027 E_impro = 46.9496 E_vdwl = -220.0221
+E_coul = -1075.7000 E_long = -3348.1489 Press = -70.5946
+---------------- Step 5800 ----- CPU = 56.7026 (sec) ----------------
+TotEng = -2639.8817 KinEng = 698.8775 Temp = 263.1413
+PotEng = -3338.7593 E_bond = 269.2954 E_angle = 640.7389
+E_dihed = 372.2218 E_impro = 41.3429 E_vdwl = -203.7486
+E_coul = -1113.1393 E_long = -3345.4703 Press = 23.9140
+---------------- Step 5900 ----- CPU = 57.8644 (sec) ----------------
+TotEng = -2636.8636 KinEng = 687.3225 Temp = 258.7906
+PotEng = -3324.1861 E_bond = 266.1703 E_angle = 633.7779
+E_dihed = 382.5408 E_impro = 45.3265 E_vdwl = -219.9335
+E_coul = -1085.6019 E_long = -3346.4662 Press = 72.7649
+---------------- Step 6000 ----- CPU = 59.1325 (sec) ----------------
+TotEng = -2642.0181 KinEng = 696.5373 Temp = 262.2602
+PotEng = -3338.5555 E_bond = 274.6781 E_angle = 612.2951
+E_dihed = 384.2396 E_impro = 38.0117 E_vdwl = -233.4111
+E_coul = -1063.8623 E_long = -3350.5066 Press = -66.3283
+---------------- Step 6100 ----- CPU = 60.1394 (sec) ----------------
+TotEng = -2658.2404 KinEng = 698.9154 Temp = 263.1556
+PotEng = -3357.1557 E_bond = 250.1548 E_angle = 629.4120
+E_dihed = 389.6450 E_impro = 40.6762 E_vdwl = -188.3455
+E_coul = -1132.1292 E_long = -3346.5690 Press = -22.0575
+---------------- Step 6200 ----- CPU = 61.1504 (sec) ----------------
+TotEng = -2627.5121 KinEng = 675.8056 Temp = 254.4543
+PotEng = -3303.3178 E_bond = 285.5432 E_angle = 649.4580
+E_dihed = 367.0916 E_impro = 37.4803 E_vdwl = -205.4177
+E_coul = -1089.2814 E_long = -3348.1917 Press = 65.1194
+---------------- Step 6300 ----- CPU = 62.1485 (sec) ----------------
+TotEng = -2649.4791 KinEng = 701.8256 Temp = 264.2514
+PotEng = -3351.3047 E_bond = 245.5603 E_angle = 620.7601
+E_dihed = 366.4822 E_impro = 32.2945 E_vdwl = -202.5462
+E_coul = -1064.1603 E_long = -3349.6953 Press = 66.7680
+---------------- Step 6400 ----- CPU = 63.1024 (sec) ----------------
+TotEng = -2615.3793 KinEng = 685.3284 Temp = 258.0398
+PotEng = -3300.7078 E_bond = 286.5668 E_angle = 640.5455
+E_dihed = 386.7913 E_impro = 40.7469 E_vdwl = -213.7469
+E_coul = -1094.8410 E_long = -3346.7704 Press = -87.4649
+---------------- Step 6500 ----- CPU = 64.2024 (sec) ----------------
+TotEng = -2623.5579 KinEng = 702.7035 Temp = 264.5819
+PotEng = -3326.2614 E_bond = 274.2893 E_angle = 654.2571
+E_dihed = 394.4634 E_impro = 45.5613 E_vdwl = -210.0465
+E_coul = -1135.3767 E_long = -3349.4094 Press = -102.8119
+---------------- Step 6600 ----- CPU = 65.2026 (sec) ----------------
+TotEng = -2638.5775 KinEng = 701.7603 Temp = 264.2267
+PotEng = -3340.3378 E_bond = 259.5340 E_angle = 632.1634
+E_dihed = 375.3988 E_impro = 43.9779 E_vdwl = -230.3763
+E_coul = -1074.3260 E_long = -3346.7095 Press = 37.7095
+---------------- Step 6700 ----- CPU = 66.1808 (sec) ----------------
+TotEng = -2600.9605 KinEng = 672.3633 Temp = 253.1582
+PotEng = -3273.3237 E_bond = 282.9391 E_angle = 658.1793
+E_dihed = 388.2013 E_impro = 39.8216 E_vdwl = -196.7876
+E_coul = -1102.6347 E_long = -3343.0428 Press = 21.1898
+---------------- Step 6800 ----- CPU = 67.2077 (sec) ----------------
+TotEng = -2562.6791 KinEng = 724.5615 Temp = 272.8118
+PotEng = -3287.2406 E_bond = 262.1170 E_angle = 669.0895
+E_dihed = 392.0846 E_impro = 43.2389 E_vdwl = -214.8113
+E_coul = -1093.8243 E_long = -3345.1350 Press = 2.2031
+---------------- Step 6900 ----- CPU = 68.2164 (sec) ----------------
+TotEng = -2610.2279 KinEng = 728.8392 Temp = 274.4225
+PotEng = -3339.0672 E_bond = 265.7486 E_angle = 634.3539
+E_dihed = 368.8325 E_impro = 44.7825 E_vdwl = -206.6867
+E_coul = -1095.9447 E_long = -3350.1534 Press = 8.1500
+---------------- Step 7000 ----- CPU = 69.2040 (sec) ----------------
+TotEng = -2583.8942 KinEng = 723.9594 Temp = 272.5851
+PotEng = -3307.8536 E_bond = 250.4931 E_angle = 674.8829
+E_dihed = 364.1125 E_impro = 44.0458 E_vdwl = -209.2240
+E_coul = -1078.4183 E_long = -3353.7458 Press = 60.3336
+---------------- Step 7100 ----- CPU = 70.1968 (sec) ----------------
+TotEng = -2671.6271 KinEng = 670.6363 Temp = 252.5079
+PotEng = -3342.2633 E_bond = 251.1351 E_angle = 608.0784
+E_dihed = 384.3346 E_impro = 42.1099 E_vdwl = -203.0523
+E_coul = -1074.5328 E_long = -3350.3363 Press = 6.4404
+---------------- Step 7200 ----- CPU = 71.2070 (sec) ----------------
+TotEng = -2587.1092 KinEng = 724.3543 Temp = 272.7339
+PotEng = -3311.4635 E_bond = 278.8064 E_angle = 618.7888
+E_dihed = 378.5982 E_impro = 38.9323 E_vdwl = -224.0861
+E_coul = -1052.8391 E_long = -3349.6641 Press = -148.3233
+---------------- Step 7300 ----- CPU = 72.2566 (sec) ----------------
+TotEng = -2611.3839 KinEng = 704.1644 Temp = 265.1319
+PotEng = -3315.5482 E_bond = 265.3237 E_angle = 624.1887
+E_dihed = 383.0346 E_impro = 33.4546 E_vdwl = -202.3121
+E_coul = -1070.4710 E_long = -3348.7667 Press = 28.7777
+---------------- Step 7400 ----- CPU = 73.3167 (sec) ----------------
+TotEng = -2580.3735 KinEng = 731.9464 Temp = 275.5924
+PotEng = -3312.3199 E_bond = 271.3923 E_angle = 653.2883
+E_dihed = 387.7903 E_impro = 40.9721 E_vdwl = -216.2436
+E_coul = -1099.9307 E_long = -3349.5887 Press = 40.7930
+---------------- Step 7500 ----- CPU = 74.4021 (sec) ----------------
+TotEng = -2561.7523 KinEng = 758.2828 Temp = 285.5086
+PotEng = -3320.0351 E_bond = 250.6434 E_angle = 638.4208
+E_dihed = 381.8732 E_impro = 33.3933 E_vdwl = -232.3592
+E_coul = -1041.0990 E_long = -3350.9076 Press = -163.3964
+---------------- Step 7600 ----- CPU = 75.4780 (sec) ----------------
+TotEng = -2589.5416 KinEng = 703.7203 Temp = 264.9647
+PotEng = -3293.2618 E_bond = 290.4004 E_angle = 613.3075
+E_dihed = 403.2076 E_impro = 45.6446 E_vdwl = -220.7474
+E_coul = -1073.5238 E_long = -3351.5508 Press = 17.4927
+---------------- Step 7700 ----- CPU = 76.5394 (sec) ----------------
+TotEng = -2552.9106 KinEng = 745.4133 Temp = 280.6630
+PotEng = -3298.3239 E_bond = 262.1825 E_angle = 655.9648
+E_dihed = 359.3331 E_impro = 39.2329 E_vdwl = -191.7072
+E_coul = -1077.0139 E_long = -3346.3162 Press = 2.9227
+---------------- Step 7800 ----- CPU = 77.6402 (sec) ----------------
+TotEng = -2553.3323 KinEng = 716.1109 Temp = 269.6301
+PotEng = -3269.4432 E_bond = 278.7606 E_angle = 673.4525
+E_dihed = 386.2544 E_impro = 43.9885 E_vdwl = -194.0700
+E_coul = -1107.9514 E_long = -3349.8777 Press = 217.1488
+---------------- Step 7900 ----- CPU = 78.7755 (sec) ----------------
+TotEng = -2539.4670 KinEng = 737.3598 Temp = 277.6307
+PotEng = -3276.8268 E_bond = 281.1080 E_angle = 677.4869
+E_dihed = 400.9276 E_impro = 38.0121 E_vdwl = -195.4162
+E_coul = -1127.0467 E_long = -3351.8985 Press = 24.2521
+---------------- Step 8000 ----- CPU = 79.9025 (sec) ----------------
+TotEng = -2568.9887 KinEng = 693.7521 Temp = 261.2115
+PotEng = -3262.7409 E_bond = 280.8859 E_angle = 648.7984
+E_dihed = 390.2062 E_impro = 42.2797 E_vdwl = -204.2056
+E_coul = -1068.2658 E_long = -3352.4398 Press = 50.7799
+---------------- Step 8100 ----- CPU = 80.9714 (sec) ----------------
+TotEng = -2507.6589 KinEng = 756.2905 Temp = 284.7585
+PotEng = -3263.9494 E_bond = 272.3607 E_angle = 643.1893
+E_dihed = 390.7346 E_impro = 43.7921 E_vdwl = -221.9076
+E_coul = -1042.0029 E_long = -3350.1156 Press = 55.1611
+---------------- Step 8200 ----- CPU = 82.0714 (sec) ----------------
+TotEng = -2539.2889 KinEng = 731.4938 Temp = 275.4220
+PotEng = -3270.7827 E_bond = 299.2908 E_angle = 633.9883
+E_dihed = 407.1742 E_impro = 44.7311 E_vdwl = -226.8628
+E_coul = -1082.1088 E_long = -3346.9955 Press = -195.9352
+---------------- Step 8300 ----- CPU = 83.1859 (sec) ----------------
+TotEng = -2539.0197 KinEng = 724.9100 Temp = 272.9431
+PotEng = -3263.9297 E_bond = 283.0507 E_angle = 635.7486
+E_dihed = 391.6461 E_impro = 47.4141 E_vdwl = -227.4207
+E_coul = -1044.8692 E_long = -3349.4993 Press = 196.1783
+---------------- Step 8400 ----- CPU = 84.3141 (sec) ----------------
+TotEng = -2558.1335 KinEng = 692.8588 Temp = 260.8752
+PotEng = -3250.9922 E_bond = 313.3163 E_angle = 639.3920
+E_dihed = 396.0249 E_impro = 40.0074 E_vdwl = -210.1358
+E_coul = -1078.3531 E_long = -3351.2439 Press = 4.5194
+---------------- Step 8500 ----- CPU = 85.4733 (sec) ----------------
+TotEng = -2502.7259 KinEng = 724.6475 Temp = 272.8442
+PotEng = -3227.3734 E_bond = 284.1865 E_angle = 665.7531
+E_dihed = 383.8394 E_impro = 41.2982 E_vdwl = -198.5376
+E_coul = -1057.3008 E_long = -3346.6121 Press = -0.4963
+---------------- Step 8600 ----- CPU = 86.6362 (sec) ----------------
+TotEng = -2519.6432 KinEng = 748.8989 Temp = 281.9754
+PotEng = -3268.5421 E_bond = 280.3056 E_angle = 647.5508
+E_dihed = 381.5564 E_impro = 38.5243 E_vdwl = -222.0445
+E_coul = -1043.5669 E_long = -3350.8679 Press = 57.4936
+---------------- Step 8700 ----- CPU = 87.8342 (sec) ----------------
+TotEng = -2502.4971 KinEng = 745.2389 Temp = 280.5973
+PotEng = -3247.7360 E_bond = 286.5436 E_angle = 647.3502
+E_dihed = 397.2023 E_impro = 40.1624 E_vdwl = -236.4788
+E_coul = -1031.9453 E_long = -3350.5703 Press = -148.2869
+---------------- Step 8800 ----- CPU = 89.0596 (sec) ----------------
+TotEng = -2525.8157 KinEng = 770.9340 Temp = 290.2720
+PotEng = -3296.7497 E_bond = 264.1415 E_angle = 658.0740
+E_dihed = 382.6677 E_impro = 40.9639 E_vdwl = -205.6787
+E_coul = -1087.0299 E_long = -3349.8880 Press = 95.5612
+---------------- Step 8900 ----- CPU = 90.2507 (sec) ----------------
+TotEng = -2546.7077 KinEng = 741.1956 Temp = 279.0749
+PotEng = -3287.9033 E_bond = 278.2574 E_angle = 633.0581
+E_dihed = 387.9287 E_impro = 37.9069 E_vdwl = -203.2470
+E_coul = -1073.8560 E_long = -3347.9513 Press = -26.2635
+---------------- Step 9000 ----- CPU = 91.4197 (sec) ----------------
+TotEng = -2478.3198 KinEng = 768.2832 Temp = 289.2739
+PotEng = -3246.6029 E_bond = 294.8001 E_angle = 639.8547
+E_dihed = 402.1436 E_impro = 40.1159 E_vdwl = -197.3402
+E_coul = -1076.9300 E_long = -3349.2471 Press = -2.0699
+---------------- Step 9100 ----- CPU = 92.5984 (sec) ----------------
+TotEng = -2453.2127 KinEng = 783.3521 Temp = 294.9477
+PotEng = -3236.5648 E_bond = 285.7790 E_angle = 681.6460
+E_dihed = 389.9879 E_impro = 38.8501 E_vdwl = -195.6240
+E_coul = -1085.0324 E_long = -3352.1713 Press = -36.9688
+---------------- Step 9200 ----- CPU = 93.7461 (sec) ----------------
+TotEng = -2499.6290 KinEng = 780.9980 Temp = 294.0613
+PotEng = -3280.6269 E_bond = 258.1971 E_angle = 656.4037
+E_dihed = 415.3252 E_impro = 43.9988 E_vdwl = -197.5481
+E_coul = -1107.6397 E_long = -3349.3641 Press = 2.6065
+---------------- Step 9300 ----- CPU = 94.9015 (sec) ----------------
+TotEng = -2483.8592 KinEng = 771.9550 Temp = 290.6565
+PotEng = -3255.8142 E_bond = 251.3260 E_angle = 651.7911
+E_dihed = 395.2096 E_impro = 45.8175 E_vdwl = -207.5446
+E_coul = -1038.9219 E_long = -3353.4920 Press = -93.5436
+---------------- Step 9400 ----- CPU = 96.0353 (sec) ----------------
+TotEng = -2499.5972 KinEng = 759.6639 Temp = 286.0286
+PotEng = -3259.2611 E_bond = 301.8034 E_angle = 651.2119
+E_dihed = 380.7301 E_impro = 41.0984 E_vdwl = -201.0687
+E_coul = -1089.2419 E_long = -3343.7943 Press = 54.1903
+---------------- Step 9500 ----- CPU = 97.2038 (sec) ----------------
+TotEng = -2465.0641 KinEng = 772.4729 Temp = 290.8515
+PotEng = -3237.5371 E_bond = 288.0443 E_angle = 650.8313
+E_dihed = 389.6729 E_impro = 41.9942 E_vdwl = -204.2369
+E_coul = -1055.5641 E_long = -3348.2788 Press = 253.5358
+---------------- Step 9600 ----- CPU = 98.3444 (sec) ----------------
+TotEng = -2454.8975 KinEng = 775.3714 Temp = 291.9428
+PotEng = -3230.2690 E_bond = 290.6612 E_angle = 667.0602
+E_dihed = 397.7066 E_impro = 40.5540 E_vdwl = -199.2071
+E_coul = -1079.3474 E_long = -3347.6966 Press = -125.8373
+---------------- Step 9700 ----- CPU = 99.5046 (sec) ----------------
+TotEng = -2474.3183 KinEng = 758.2548 Temp = 285.4980
+PotEng = -3232.5731 E_bond = 288.4343 E_angle = 640.0007
+E_dihed = 387.3168 E_impro = 41.1179 E_vdwl = -196.9761
+E_coul = -1049.1551 E_long = -3343.3117 Press = -72.4768
+---------------- Step 9800 ----- CPU = 100.6870 (sec) ----------------
+TotEng = -2453.2239 KinEng = 788.4898 Temp = 296.8821
+PotEng = -3241.7136 E_bond = 289.7848 E_angle = 661.9942
+E_dihed = 403.1469 E_impro = 48.9315 E_vdwl = -220.4897
+E_coul = -1080.7211 E_long = -3344.3602 Press = 50.2150
+---------------- Step 9900 ----- CPU = 101.9692 (sec) ----------------
+TotEng = -2469.0982 KinEng = 750.0546 Temp = 282.4105
+PotEng = -3219.1528 E_bond = 300.4243 E_angle = 675.8282
+E_dihed = 381.7571 E_impro = 45.1724 E_vdwl = -205.3894
+E_coul = -1070.5857 E_long = -3346.3597 Press = 18.6819
+---------------- Step 10000 ----- CPU = 103.1045 (sec) ----------------
+TotEng = -2400.7511 KinEng = 802.5598 Temp = 302.1798
+PotEng = -3203.3108 E_bond = 319.6964 E_angle = 669.0748
+E_dihed = 388.7344 E_impro = 37.7315 E_vdwl = -213.4412
+E_coul = -1054.4866 E_long = -3350.6201 Press = -0.9821
+---------------- Step 10100 ----- CPU = 104.2434 (sec) ----------------
+TotEng = -2445.9431 KinEng = 741.7575 Temp = 279.2865
+PotEng = -3187.7006 E_bond = 312.9035 E_angle = 693.1337
+E_dihed = 387.5051 E_impro = 35.2610 E_vdwl = -220.0853
+E_coul = -1053.2056 E_long = -3343.2130 Press = 16.3496
+---------------- Step 10200 ----- CPU = 105.3326 (sec) ----------------
+TotEng = -2481.2457 KinEng = 769.3572 Temp = 289.6783
+PotEng = -3250.6029 E_bond = 285.3717 E_angle = 659.7050
+E_dihed = 386.7808 E_impro = 46.0416 E_vdwl = -223.7107
+E_coul = -1057.4401 E_long = -3347.3513 Press = 54.9084
+---------------- Step 10241 ----- CPU = 105.7807 (sec) ----------------
+TotEng = -2420.1593 KinEng = 795.8536 Temp = 299.6547
+PotEng = -3216.0129 E_bond = 293.2238 E_angle = 687.0481
+E_dihed = 391.7794 E_impro = 42.2440 E_vdwl = -212.7813
+E_coul = -1068.1771 E_long = -3349.3499 Press = -222.8824
+Loop time of 105.781 on 4 procs for 10000 steps with 892 atoms
+
+Performance: 65.342 ns/day, 0.367 hours/ns, 94.535 timesteps/s
+98.7% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 39.09 | 52.202 | 70.573 | 172.3 | 49.35
+Bond | 6.9312 | 11.89 | 20.202 | 158.1 | 11.24
+Kspace | 3.5986 | 3.705 | 3.7795 | 3.7 | 3.50
+Neigh | 1.8 | 1.8103 | 1.8167 | 0.5 | 1.71
+Comm | 6.6943 | 33.81 | 52.135 | 312.3 | 31.96
+Output | 0.032599 | 0.037222 | 0.050519 | 4.0 | 0.04
+Modify | 1.698 | 1.9657 | 2.4226 | 21.2 | 1.86
+Other | | 0.3609 | | | 0.34
+
+Nlocal: 223 ave 399 max 98 min
+Histogram: 1 1 0 0 0 1 0 0 0 1
+Nghost: 620.5 ave 721 max 506 min
+Histogram: 1 0 0 0 0 1 1 0 0 1
+Neighs: 34950.2 ave 53363 max 19496 min
+Histogram: 1 0 0 1 1 0 0 0 0 1
+
+Total # of neighbors = 139801
+Ave neighs/atom = 156.728
+Ave special neighs/atom = 10.9395
+Neighbor list builds = 1683
+Dangerous builds = 1
+
+unfix cor
+unfix 1
+
+write_restart BPTI_equil
+PPPM initialization ...
+WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:317)
+ G vector (1/distance) = 0.203272
+ grid = 16 16 16
+ stencil order = 5
+ estimated absolute RMS force accuracy = 0.0316399
+ estimated relative force accuracy = 9.52826e-05
+ using double precision FFTs
+ 3d grid and FFT values/proc = 3549 1024
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:01:46
diff --git a/examples/USER/misc/filter-corotate/bpti/system.in.init b/examples/USER/misc/filter-corotate/bpti/system.in.init
new file mode 100644
index 000000000..fd443702e
--- /dev/null
+++ b/examples/USER/misc/filter-corotate/bpti/system.in.init
@@ -0,0 +1,10 @@
+ atom_style full
+ bond_style harmonic
+ angle_style charmm
+ dihedral_style charmm
+ improper_style harmonic
+
+ pair_style lj/charmm/coul/long 8 10
+ pair_modify mix arithmetic
+ kspace_style pppm 1e-4
+
diff --git a/examples/USER/misc/filter-corotate/peptide/data.peptide b/examples/USER/misc/filter-corotate/peptide/data.peptide
new file mode 100644
index 000000000..f9dfb6e48
--- /dev/null
+++ b/examples/USER/misc/filter-corotate/peptide/data.peptide
@@ -0,0 +1,6531 @@
+LAMMPS Description
+
+ 2004 atoms
+ 1365 bonds
+ 786 angles
+ 207 dihedrals
+ 12 impropers
+
+ 14 atom types
+ 18 bond types
+ 31 angle types
+ 21 dihedral types
+ 2 improper types
+
+ 36.840194 64.211560 xlo xhi
+ 41.013691 68.385058 ylo yhi
+ 29.768095 57.139462 zlo zhi
+
+Masses
+
+ 1 12.0110
+ 2 12.0110
+ 3 15.9990
+ 4 1.0080
+ 5 14.0070
+ 6 12.0110
+ 7 12.0110
+ 8 12.0110
+ 9 15.9990
+ 10 1.0080
+ 11 1.0080
+ 12 32.0660
+ 13 16.0000
+ 14 1.0100
+
+Pair Coeffs
+
+ 1 0.110000 3.563595 0.110000 3.563595
+ 2 0.080000 3.670503 0.010000 3.385415
+ 3 0.120000 3.029056 0.120000 2.494516
+ 4 0.022000 2.351973 0.022000 2.351973
+ 5 0.200000 3.296325 0.200000 2.761786
+ 6 0.020000 4.053589 0.010000 3.385415
+ 7 0.055000 3.875410 0.010000 3.385415
+ 8 0.070000 3.550053 0.070000 3.550053
+ 9 0.152100 3.153782 0.152100 3.153782
+ 10 0.046000 0.400014 0.046000 0.400014
+ 11 0.030000 2.420037 0.030000 2.420037
+ 12 0.450000 3.563595 0.450000 3.563595
+ 13 0.152100 3.150570 0.152100 3.150570
+ 14 0.046000 0.400014 0.046000 0.400014
+
+Bond Coeffs
+
+ 1 249.999999 1.490000
+ 2 620.000001 1.230000
+ 3 370.000000 1.345000
+ 4 322.000001 1.111000
+ 5 319.999999 1.430000
+ 6 440.000000 0.997000
+ 7 222.500001 1.538000
+ 8 330.000001 1.080000
+ 9 230.000000 1.490000
+ 10 309.000001 1.111000
+ 11 305.000000 1.375000
+ 12 340.000001 1.080000
+ 13 334.300000 1.411000
+ 14 545.000001 0.960000
+ 15 222.500001 1.530000
+ 16 198.000000 1.818000
+ 17 239.999999 1.816000
+ 18 450.000000 0.957200
+
+Angle Coeffs
+
+ 1 33.000000 109.500000 30.000000 2.163000
+ 2 50.000000 120.000000 0.000000 0.000000
+ 3 34.000000 123.000000 0.000000 0.000000
+ 4 80.000000 121.000000 0.000000 0.000000
+ 5 80.000000 116.500000 0.000000 0.000000
+ 6 80.000000 122.500000 0.000000 0.000000
+ 7 35.500000 108.400000 5.400000 1.802000
+ 8 50.000000 107.000000 0.000000 0.000000
+ 9 70.000000 113.500000 0.000000 0.000000
+ 10 48.000000 108.000000 0.000000 0.000000
+ 11 35.000000 117.000000 0.000000 0.000000
+ 12 51.800000 107.500000 0.000000 0.000000
+ 13 33.430000 110.100000 22.530000 2.179000
+ 14 52.000000 108.000000 0.000000 0.000000
+ 15 50.000000 109.500000 0.000000 0.000000
+ 16 35.000000 111.000000 0.000000 0.000000
+ 17 45.800000 122.300000 0.000000 0.000000
+ 18 49.300000 107.500000 0.000000 0.000000
+ 19 40.000000 120.000000 35.000000 2.416200
+ 20 30.000000 120.000000 22.000000 2.152500
+ 21 45.200000 120.000000 0.000000 0.000000
+ 22 65.000000 108.000000 0.000000 0.000000
+ 23 35.500000 109.000000 5.400000 1.802000
+ 24 36.000000 115.000000 0.000000 0.000000
+ 25 58.350000 113.500000 11.160000 2.561000
+ 26 58.000000 114.500000 0.000000 0.000000
+ 27 26.500000 110.100000 22.530000 2.179000
+ 28 34.000000 95.000000 0.000000 0.000000
+ 29 46.100000 111.300000 0.000000 0.000000
+ 30 51.500000 109.500000 0.000000 0.000000
+ 31 55.000000 104.520000 0.000000 0.000000
+
+Dihedral Coeffs
+
+ 1 0.200000 1 180 1.000000
+ 2 1.800000 1 0 1.000000
+ 3 0.000000 1 0 1.000000
+ 4 1.600000 1 0 0.500000
+ 5 2.500000 2 180 0.500000
+ 6 2.500000 2 180 1.000000
+ 7 0.600000 1 0 1.000000
+ 8 0.200000 3 0 1.000000
+ 9 0.230000 2 180 1.000000
+ 10 0.040000 3 0 1.000000
+ 11 1.400000 1 0 1.000000
+ 12 3.100000 2 180 1.000000
+ 13 4.200000 2 180 1.000000
+ 14 3.100000 2 180 0.500000
+ 15 0.990000 2 180 1.000000
+ 16 2.400000 2 180 1.000000
+ 17 0.195000 3 0 1.000000
+ 18 0.240000 1 180 0.500000
+ 19 0.370000 3 0 0.500000
+ 20 0.280000 3 0 1.000000
+ 21 0.010000 3 0 1.000000
+
+Improper Coeffs
+
+ 1 120.000000 0.000000
+ 2 20.000000 0.000000
+
+Atoms
+
+ 1 1 1 0.510 43.99993 58.52678 36.78550 0 0 0
+ 2 1 2 -0.270 45.10395 58.23499 35.86693 0 0 0
+ 3 1 3 -0.510 43.81519 59.54928 37.43995 0 0 0
+ 4 1 4 0.090 45.71714 57.34797 36.13434 0 0 0
+ 5 1 4 0.090 45.72261 59.13657 35.67007 0 0 0
+ 6 1 4 0.090 44.66624 58.09539 34.85538 0 0 0
+ 7 1 5 -0.470 43.28193 57.47427 36.91953 0 0 0
+ 8 1 6 0.070 42.07157 57.45486 37.62418 0 0 0
+ 9 1 1 0.510 42.19985 57.57789 39.12163 0 0 0
+ 10 1 3 -0.510 41.88641 58.62251 39.70398 0 0 0
+ 11 1 7 -0.180 41.25052 56.15304 37.41811 0 0 0
+ 12 1 8 0.000 40.88511 55.94638 35.97460 0 0 0
+ 13 1 8 -0.115 41.48305 54.96372 35.11223 0 0 0
+ 14 1 8 -0.115 39.74003 56.60996 35.46443 0 0 0
+ 15 1 8 -0.115 41.02111 54.75715 33.80764 0 0 0
+ 16 1 8 -0.115 39.26180 56.39194 34.12024 0 0 0
+ 17 1 8 0.110 39.92330 55.46092 33.27135 0 0 0
+ 18 1 9 -0.540 39.48164 55.22919 31.91865 0 0 0
+ 19 1 10 0.310 43.60633 56.61693 36.52744 0 0 0
+ 20 1 4 0.090 41.49619 58.31145 37.30543 0 0 0
+ 21 1 4 0.090 41.88498 55.29476 37.72657 0 0 0
+ 22 1 4 0.090 40.30899 56.19690 38.00627 0 0 0
+ 23 1 11 0.115 42.31528 54.36176 35.44606 0 0 0
+ 24 1 11 0.115 39.26330 57.31216 36.13230 0 0 0
+ 25 1 11 0.115 41.62695 54.10606 33.19490 0 0 0
+ 26 1 11 0.115 38.42147 56.98236 33.78612 0 0 0
+ 27 1 10 0.430 38.78233 55.86217 31.74004 0 0 0
+ 28 1 5 -0.470 42.79933 56.56370 39.79000 0 0 0
+ 29 1 7 -0.020 42.96709 56.75379 41.28116 0 0 0
+ 30 1 1 0.510 43.83019 55.68988 41.92255 0 0 0
+ 31 1 3 -0.510 44.98521 55.93104 42.21713 0 0 0
+ 32 1 10 0.310 43.13466 55.75696 39.30966 0 0 0
+ 33 1 4 0.090 42.04692 56.86721 41.83507 0 0 0
+ 34 1 4 0.090 43.52938 57.66324 41.43329 0 0 0
+ 35 1 5 -0.470 43.26792 54.43342 42.07043 0 0 0
+ 36 1 7 -0.020 43.92411 53.28930 42.63327 0 0 0
+ 37 1 1 0.510 43.51012 53.02289 44.10510 0 0 0
+ 38 1 3 -0.510 42.35086 53.07863 44.50806 0 0 0
+ 39 1 10 0.310 42.28859 54.34993 41.90323 0 0 0
+ 40 1 4 0.090 44.98464 53.47473 42.54797 0 0 0
+ 41 1 4 0.090 43.49715 52.54787 41.97419 0 0 0
+ 42 1 5 -0.470 44.51925 52.64535 44.88133 0 0 0
+ 43 1 6 0.070 44.47588 52.35054 46.24397 0 0 0
+ 44 1 1 0.510 45.40218 53.34579 46.94730 0 0 0
+ 45 1 3 -0.510 45.23520 54.55893 46.92038 0 0 0
+ 46 1 7 -0.180 44.77960 50.82831 46.50232 0 0 0
+ 47 1 8 0.000 43.72184 49.84551 45.98093 0 0 0
+ 48 1 8 -0.115 44.14810 49.00477 44.97195 0 0 0
+ 49 1 8 -0.115 42.43499 49.66652 46.53541 0 0 0
+ 50 1 8 -0.115 43.26154 48.00434 44.46769 0 0 0
+ 51 1 8 -0.115 41.54732 48.79670 45.95416 0 0 0
+ 52 1 8 -0.115 41.98220 47.90746 44.95574 0 0 0
+ 53 1 10 0.310 45.39510 52.50937 44.42482 0 0 0
+ 54 1 4 0.090 43.51312 52.58974 46.67092 0 0 0
+ 55 1 4 0.090 44.89709 50.54313 47.56965 0 0 0
+ 56 1 4 0.090 45.72096 50.49337 46.01654 0 0 0
+ 57 1 11 0.115 45.13573 49.07933 44.54134 0 0 0
+ 58 1 11 0.115 42.07869 50.34816 47.29358 0 0 0
+ 59 1 11 0.115 43.47793 47.29281 43.68456 0 0 0
+ 60 1 11 0.115 40.52625 48.76134 46.30425 0 0 0
+ 61 1 11 0.115 41.35446 47.13287 44.54059 0 0 0
+ 62 1 5 -0.470 46.41448 52.86278 47.68291 0 0 0
+ 63 1 6 0.070 47.25136 53.68184 48.51163 0 0 0
+ 64 1 1 0.510 48.33905 54.40097 47.73886 0 0 0
+ 65 1 3 -0.510 49.27132 53.85220 47.16549 0 0 0
+ 66 1 7 -0.180 47.88329 52.75681 49.60227 0 0 0
+ 67 1 7 -0.140 48.82515 53.51102 50.61578 0 0 0
+ 68 1 12 -0.090 48.12492 55.00373 51.43039 0 0 0
+ 69 1 2 -0.220 47.70783 54.12980 53.04072 0 0 0
+ 70 1 10 0.310 46.67199 51.90088 47.73231 0 0 0
+ 71 1 4 0.090 46.64593 54.43552 48.99310 0 0 0
+ 72 1 4 0.090 48.41361 51.90817 49.11968 0 0 0
+ 73 1 4 0.090 47.08748 52.35196 50.26341 0 0 0
+ 74 1 4 0.090 49.16067 52.81305 51.41238 0 0 0
+ 75 1 4 0.090 49.73705 53.67062 50.00155 0 0 0
+ 76 1 4 0.090 47.18593 54.84215 53.71488 0 0 0
+ 77 1 4 0.090 48.69939 53.91624 53.49408 0 0 0
+ 78 1 4 0.090 47.19749 53.18294 52.76264 0 0 0
+ 79 1 5 -0.470 48.34472 55.71775 47.80498 0 0 0
+ 80 1 2 -0.110 49.37792 56.51754 47.29492 0 0 0
+ 81 1 10 0.310 47.51777 56.11617 48.19410 0 0 0
+ 82 1 4 0.090 50.41495 56.13038 47.38980 0 0 0
+ 83 1 4 0.090 49.23515 57.51193 47.76940 0 0 0
+ 84 1 4 0.090 49.28612 56.52094 46.18773 0 0 0
+ 85 2 13 -0.834 52.28049 45.72878 41.48140 -1 0 1
+ 86 2 14 0.417 51.97210 46.07066 40.64218 -1 0 1
+ 87 2 14 0.417 52.43689 44.79855 41.31868 -1 0 1
+ 88 3 13 -0.834 43.84472 45.66062 47.17660 -2 -1 -1
+ 89 3 14 0.417 43.42120 44.88337 46.81226 -2 -1 -1
+ 90 3 14 0.417 44.31099 46.04907 46.43636 -2 -1 -1
+ 91 4 13 -0.834 51.27805 50.25403 54.67397 0 0 -1
+ 92 4 14 0.417 50.81295 50.23728 53.83753 0 0 -1
+ 93 4 14 0.417 52.00273 49.63953 54.55795 0 0 -1
+ 94 5 13 -0.834 44.71976 53.72011 56.43834 -1 0 -1
+ 95 5 14 0.417 44.56050 53.84218 55.50241 -1 0 -1
+ 96 5 14 0.417 44.91937 52.78829 56.52828 -1 0 -1
+ 97 6 13 -0.834 37.07074 62.07204 53.35752 -1 -1 -1
+ 98 6 14 0.417 64.17057 61.77089 52.49043 -2 -1 -1
+ 99 6 14 0.417 37.90147 62.52273 53.20573 -1 -1 -1
+ 100 7 13 -0.834 38.31817 66.10834 49.17406 0 -1 0
+ 101 7 14 0.417 37.39300 65.93985 48.99534 0 -1 0
+ 102 7 14 0.417 38.36506 66.20528 50.12520 0 -1 0
+ 103 8 13 -0.834 60.90915 45.97690 35.53863 -1 -1 1
+ 104 8 14 0.417 61.19898 46.87819 35.39745 -1 -1 1
+ 105 8 14 0.417 59.98680 45.97855 35.28269 -1 -1 1
+ 106 9 13 -0.834 54.33913 64.47210 51.00391 -1 -2 0
+ 107 9 14 0.417 54.43191 63.71377 50.42724 -1 -2 0
+ 108 9 14 0.417 55.16289 64.94980 50.90662 -1 -2 0
+ 109 10 13 -0.834 44.58017 54.03749 53.84708 1 0 -1
+ 110 10 14 0.417 43.87040 54.43768 53.34476 1 0 -1
+ 111 10 14 0.417 45.02999 53.47261 53.21873 1 0 -1
+ 112 11 13 -0.834 45.48693 52.12363 34.38241 0 -1 1
+ 113 11 14 0.417 45.46898 52.67450 33.59981 0 -1 1
+ 114 11 14 0.417 44.61476 52.22113 34.76457 0 -1 1
+ 115 12 13 -0.834 60.15770 61.68799 54.74753 1 0 -2
+ 116 12 14 0.417 59.23977 61.46439 54.59378 1 0 -2
+ 117 12 14 0.417 60.43785 61.08922 55.43980 1 0 -2
+ 118 13 13 -0.834 60.74732 66.72156 42.80906 1 -2 0
+ 119 13 14 0.417 60.34713 66.21969 42.09898 1 -2 0
+ 120 13 14 0.417 60.92444 66.07344 43.49082 1 -2 0
+ 121 14 13 -0.834 60.82245 64.17281 50.54212 0 0 0
+ 122 14 14 0.417 61.43571 64.88448 50.35863 0 0 0
+ 123 14 14 0.417 60.87804 64.04633 51.48930 0 0 0
+ 124 15 13 -0.834 36.92704 63.01353 56.05215 0 -1 0
+ 125 15 14 0.417 37.10744 62.17054 56.46815 0 -1 0
+ 126 15 14 0.417 64.06237 62.79109 55.15157 -1 -1 0
+ 127 16 13 -0.834 48.35559 58.70568 56.14001 1 0 0
+ 128 16 14 0.417 48.11655 59.48087 55.63191 1 0 0
+ 129 16 14 0.417 47.93212 58.83502 56.98865 1 0 0
+ 130 17 13 -0.834 58.14651 57.18542 51.08241 0 -1 -1
+ 131 17 14 0.417 57.88523 56.72609 51.88052 0 -1 -1
+ 132 17 14 0.417 57.35121 57.63116 50.79076 0 -1 -1
+ 133 18 13 -0.834 58.09837 59.68005 36.16995 -1 0 0
+ 134 18 14 0.417 58.25901 58.76822 36.41283 -1 0 0
+ 135 18 14 0.417 58.56239 60.19049 36.83355 -1 0 0
+ 136 19 13 -0.834 52.29019 60.51169 50.55611 0 -2 1
+ 137 19 14 0.417 52.61972 60.01708 51.30645 0 -2 1
+ 138 19 14 0.417 52.55621 59.99722 49.79401 0 -2 1
+ 139 20 13 -0.834 41.36642 50.33705 42.98530 0 -1 -1
+ 140 20 14 0.417 41.27846 50.09969 43.90844 0 -1 -1
+ 141 20 14 0.417 40.99321 51.21659 42.92708 0 -1 -1
+ 142 21 13 -0.834 53.76920 67.02645 32.18667 -1 0 1
+ 143 21 14 0.417 53.59447 67.18509 31.25901 -1 0 1
+ 144 21 14 0.417 54.65308 67.36647 32.32596 -1 0 1
+ 145 22 13 -0.834 57.83691 45.33663 46.94671 0 0 -2
+ 146 22 14 0.417 57.36287 45.59552 46.15647 0 0 -2
+ 147 22 14 0.417 58.62995 44.91017 46.62197 0 0 -2
+ 148 23 13 -0.834 60.34518 45.83000 45.57964 -1 0 0
+ 149 23 14 0.417 60.61871 44.93757 45.79176 -1 0 0
+ 150 23 14 0.417 61.09971 46.21212 45.13141 -1 0 0
+ 151 24 13 -0.834 55.97902 46.85046 56.80163 0 1 1
+ 152 24 14 0.417 56.57528 46.69952 30.16370 0 1 2
+ 153 24 14 0.417 55.81156 47.79276 56.81850 0 1 1
+ 154 25 13 -0.834 57.54668 45.52135 31.46139 -1 0 1
+ 155 25 14 0.417 58.36291 46.00311 31.32743 -1 0 1
+ 156 25 14 0.417 57.54151 45.31312 32.39566 -1 0 1
+ 157 26 13 -0.834 58.03029 52.86783 46.33564 -1 -1 0
+ 158 26 14 0.417 58.13662 52.56730 47.23820 -1 -1 0
+ 159 26 14 0.417 58.81317 52.55269 45.88396 -1 -1 0
+ 160 27 13 -0.834 62.89253 60.86549 46.75131 -2 -1 0
+ 161 27 14 0.417 63.83924 60.74010 46.81653 -2 -1 0
+ 162 27 14 0.417 62.51896 60.12788 47.23361 -2 -1 0
+ 163 28 13 -0.834 43.29171 48.58106 31.82206 -1 0 2
+ 164 28 14 0.417 43.07532 49.46362 32.12290 -1 0 2
+ 165 28 14 0.417 43.82286 48.21072 32.52701 -1 0 2
+ 166 29 13 -0.834 64.19867 44.17673 45.81391 -1 1 -1
+ 167 29 14 0.417 63.72986 44.44010 45.02202 -1 1 -1
+ 168 29 14 0.417 37.02069 43.24876 45.68087 0 1 -1
+ 169 30 13 -0.834 50.42749 42.01163 53.60484 0 2 0
+ 170 30 14 0.417 51.03177 41.90084 52.87081 0 2 0
+ 171 30 14 0.417 50.77279 42.76181 54.08882 0 2 0
+ 172 31 13 -0.834 38.63739 61.71113 49.95150 1 0 0
+ 173 31 14 0.417 38.55432 62.15607 49.10808 1 0 0
+ 174 31 14 0.417 37.81718 61.22751 50.04950 1 0 0
+ 175 32 13 -0.834 61.47262 53.02922 33.08309 -1 -1 0
+ 176 32 14 0.417 61.21894 52.67931 33.93717 -1 -1 0
+ 177 32 14 0.417 61.89351 53.86564 33.28182 -1 -1 0
+ 178 33 13 -0.834 54.44545 60.06011 48.63522 -1 0 1
+ 179 33 14 0.417 54.80032 60.94424 48.72810 -1 0 1
+ 180 33 14 0.417 54.09041 60.03614 47.74662 -1 0 1
+ 181 34 13 -0.834 56.34364 60.90201 52.60838 -1 -1 0
+ 182 34 14 0.417 56.48857 60.19161 53.23333 -1 -1 0
+ 183 34 14 0.417 56.17362 61.67024 53.15351 -1 -1 0
+ 184 35 13 -0.834 56.05881 51.84328 55.76103 -1 0 0
+ 185 35 14 0.417 55.59060 51.75146 54.93121 -1 0 0
+ 186 35 14 0.417 55.46974 52.35732 56.31335 -1 0 0
+ 187 36 13 -0.834 39.00621 42.74743 30.97845 0 0 1
+ 188 36 14 0.417 39.67620 42.11390 30.72152 0 0 1
+ 189 36 14 0.417 39.43456 43.29673 31.63499 0 0 1
+ 190 37 13 -0.834 46.77585 55.39774 30.24026 0 1 0
+ 191 37 14 0.417 46.10274 54.90237 29.77360 0 1 0
+ 192 37 14 0.417 46.39626 56.26890 30.35527 0 1 0
+ 193 38 13 -0.834 45.10722 57.60431 31.54688 -1 0 0
+ 194 38 14 0.417 44.80783 58.50032 31.70105 -1 0 0
+ 195 38 14 0.417 44.44237 57.22463 30.97238 -1 0 0
+ 196 39 13 -0.834 43.94230 46.99244 34.45668 -2 1 1
+ 197 39 14 0.417 44.62010 46.49140 34.00306 -2 1 1
+ 198 39 14 0.417 44.38150 47.79794 34.72964 -2 1 1
+ 199 40 13 -0.834 51.39443 50.96507 34.69072 -1 1 0
+ 200 40 14 0.417 51.18729 50.42829 35.45570 -1 1 0
+ 201 40 14 0.417 51.33198 51.86665 35.00616 -1 1 0
+ 202 41 13 -0.834 58.96398 48.19727 42.98856 -2 1 0
+ 203 41 14 0.417 58.42587 48.90112 42.62618 -2 1 0
+ 204 41 14 0.417 58.82383 48.25054 43.93397 -2 1 0
+ 205 42 13 -0.834 62.89335 41.94260 37.40820 0 0 0
+ 206 42 14 0.417 62.48690 41.07818 37.46980 0 0 0
+ 207 42 14 0.417 63.01802 42.08284 36.46957 0 0 0
+ 208 43 13 -0.834 54.19388 47.88689 36.24110 -1 0 1
+ 209 43 14 0.417 54.32054 48.63090 35.65235 -1 0 1
+ 210 43 14 0.417 53.24370 47.78935 36.30358 -1 0 1
+ 211 44 13 -0.834 39.19734 57.40342 41.28495 0 0 -2
+ 212 44 14 0.417 39.05428 57.72940 40.39641 0 0 -2
+ 213 44 14 0.417 39.30846 56.45861 41.17895 0 0 -2
+ 214 45 13 -0.834 52.85483 61.73749 54.63897 0 0 0
+ 215 45 14 0.417 53.34938 62.52765 54.42147 0 0 0
+ 216 45 14 0.417 53.01046 61.14656 53.90221 0 0 0
+ 217 46 13 -0.834 47.09467 62.01384 35.02302 1 0 1
+ 218 46 14 0.417 47.54527 61.47644 35.67448 1 0 1
+ 219 46 14 0.417 47.10116 62.89626 35.39385 1 0 1
+ 220 47 13 -0.834 46.80497 49.60334 37.05700 0 0 1
+ 221 47 14 0.417 46.70216 49.79770 36.12540 0 0 1
+ 222 47 14 0.417 45.91311 49.45393 37.37084 0 0 1
+ 223 48 13 -0.834 63.21969 59.12311 54.43455 -1 -1 -1
+ 224 48 14 0.417 63.94585 59.72833 54.28405 -1 -1 -1
+ 225 48 14 0.417 63.63016 58.34481 54.81141 -1 -1 -1
+ 226 49 13 -0.834 59.88416 59.64215 44.04914 -2 1 0
+ 227 49 14 0.417 59.74255 59.14412 44.85422 -2 1 0
+ 228 49 14 0.417 59.02635 60.01323 43.84248 -2 1 0
+ 229 50 13 -0.834 40.50825 42.85328 50.81112 -1 1 0
+ 230 50 14 0.417 40.34650 43.39801 51.58141 -1 1 0
+ 231 50 14 0.417 39.63964 42.69867 50.43985 -1 1 0
+ 232 51 13 -0.834 63.77522 64.97067 44.83010 -2 0 0
+ 233 51 14 0.417 37.00507 65.56132 45.28388 -1 0 0
+ 234 51 14 0.417 64.14243 64.88383 43.95041 -2 0 0
+ 235 52 13 -0.834 62.47161 67.86189 47.38235 -1 0 -1
+ 236 52 14 0.417 61.58819 67.64608 47.08360 -1 0 -1
+ 237 52 14 0.417 62.79136 67.05596 47.78790 -1 0 -1
+ 238 53 13 -0.834 43.90800 54.16107 50.35199 0 0 0
+ 239 53 14 0.417 43.96769 53.24711 50.07388 0 0 0
+ 240 53 14 0.417 43.72593 54.64554 49.54677 0 0 0
+ 241 54 13 -0.834 63.46829 44.63390 34.73615 -1 1 1
+ 242 54 14 0.417 62.63731 45.04623 34.97217 -1 1 1
+ 243 54 14 0.417 64.11050 45.03645 35.32075 -1 1 1
+ 244 55 13 -0.834 37.30679 58.22047 51.04345 0 0 0
+ 245 55 14 0.417 38.18596 58.37862 50.69950 0 0 0
+ 246 55 14 0.417 36.85723 59.06017 50.94824 0 0 0
+ 247 56 13 -0.834 58.72649 42.45768 31.23820 -1 1 -1
+ 248 56 14 0.417 59.43634 42.77561 30.68028 -1 1 -1
+ 249 56 14 0.417 58.76581 41.50474 31.15690 -1 1 -1
+ 250 57 13 -0.834 52.47101 42.85691 41.60986 0 1 -1
+ 251 57 14 0.417 51.62289 42.91562 41.16997 0 1 -1
+ 252 57 14 0.417 52.53109 41.94497 41.89448 0 1 -1
+ 253 58 13 -0.834 60.63476 59.78356 56.53663 -2 -1 -1
+ 254 58 14 0.417 60.87428 58.86269 56.43247 -2 -1 -1
+ 255 58 14 0.417 59.72615 59.76269 56.83705 -2 -1 -1
+ 256 59 13 -0.834 52.78127 57.47386 30.66786 -1 -1 0
+ 257 59 14 0.417 52.55495 58.26092 30.17228 -1 -1 0
+ 258 59 14 0.417 53.05203 56.84104 30.00267 -1 -1 0
+ 259 60 13 -0.834 46.04848 57.65321 54.89998 0 3 -1
+ 260 60 14 0.417 46.96883 57.71336 55.15607 0 3 -1
+ 261 60 14 0.417 46.02768 57.98076 54.00081 0 3 -1
+ 262 61 13 -0.834 60.39356 51.43705 35.66109 -1 1 -1
+ 263 61 14 0.417 60.57739 52.08235 36.34376 -1 1 -1
+ 264 61 14 0.417 59.59475 50.99860 35.95414 -1 1 -1
+ 265 62 13 -0.834 50.32338 62.46972 35.65752 -1 0 2
+ 266 62 14 0.417 51.24156 62.23287 35.52678 -1 0 2
+ 267 62 14 0.417 49.89601 61.64851 35.90085 -1 0 2
+ 268 63 13 -0.834 38.23983 45.11908 50.02773 0 1 0
+ 269 63 14 0.417 38.61336 45.27494 50.89515 0 1 0
+ 270 63 14 0.417 38.91224 45.42406 49.41856 0 1 0
+ 271 64 13 -0.834 58.93720 57.36605 46.08362 -3 0 0
+ 272 64 14 0.417 58.65753 56.63297 46.63190 -3 0 0
+ 273 64 14 0.417 58.29914 58.05674 46.26268 -3 0 0
+ 274 65 13 -0.834 47.99806 43.44789 47.43046 -1 0 0
+ 275 65 14 0.417 48.39580 43.78289 46.62684 -1 0 0
+ 276 65 14 0.417 47.85848 44.22523 47.97128 -1 0 0
+ 277 66 13 -0.834 51.26744 52.05593 47.09995 -1 0 0
+ 278 66 14 0.417 51.36736 52.09873 46.14894 -1 0 0
+ 279 66 14 0.417 50.33779 52.22629 47.25149 -1 0 0
+ 280 67 13 -0.834 39.06132 52.11517 46.39010 0 0 -1
+ 281 67 14 0.417 38.53402 51.36282 46.65876 0 0 -1
+ 282 67 14 0.417 39.47133 52.42190 47.19884 0 0 -1
+ 283 68 13 -0.834 60.17907 58.95174 50.22759 -1 1 0
+ 284 68 14 0.417 60.34080 59.56538 50.94420 -1 1 0
+ 285 68 14 0.417 59.41497 58.44908 50.50992 -1 1 0
+ 286 69 13 -0.834 40.47698 59.65154 34.92537 0 -1 1
+ 287 69 14 0.417 40.89044 60.49055 35.12877 0 -1 1
+ 288 69 14 0.417 41.17964 59.12336 34.54648 0 -1 1
+ 289 70 13 -0.834 60.12998 66.51474 47.03971 -1 0 -1
+ 290 70 14 0.417 59.26620 66.39701 47.43506 -1 0 -1
+ 291 70 14 0.417 60.21358 65.78625 46.42443 -1 0 -1
+ 292 71 13 -0.834 49.25986 47.27506 43.03372 -1 0 1
+ 293 71 14 0.417 49.11810 48.15331 42.68041 -1 0 1
+ 294 71 14 0.417 49.86162 47.40550 43.76662 -1 0 1
+ 295 72 13 -0.834 41.48105 63.65699 31.84433 0 0 1
+ 296 72 14 0.417 41.11022 64.48589 32.14713 0 0 1
+ 297 72 14 0.417 40.89461 63.37379 31.14281 0 0 1
+ 298 73 13 -0.834 47.82875 47.97039 54.56720 0 2 0
+ 299 73 14 0.417 46.99167 47.50633 54.55352 0 2 0
+ 300 73 14 0.417 47.60488 48.87558 54.35102 0 2 0
+ 301 74 13 -0.834 62.36735 58.64445 48.35778 -2 1 0
+ 302 74 14 0.417 62.88767 57.90867 48.68045 -2 1 0
+ 303 74 14 0.417 61.65918 58.73544 48.99531 -2 1 0
+ 304 75 13 -0.834 52.09508 65.08907 32.87560 0 0 0
+ 305 75 14 0.417 52.67402 65.75058 32.49683 0 0 0
+ 306 75 14 0.417 52.41855 64.97003 33.76859 0 0 0
+ 307 76 13 -0.834 39.06932 41.62988 40.69498 1 1 0
+ 308 76 14 0.417 39.51114 41.04433 40.08003 1 1 0
+ 309 76 14 0.417 38.93584 42.43936 40.20186 1 1 0
+ 310 77 13 -0.834 37.68325 49.50718 46.00750 0 2 0
+ 311 77 14 0.417 64.11601 49.67107 45.91568 -1 2 0
+ 312 77 14 0.417 37.90845 48.96991 45.24796 0 2 0
+ 313 78 13 -0.834 53.00757 59.49351 52.98404 -2 1 -1
+ 314 78 14 0.417 52.16721 59.28329 53.39127 -2 1 -1
+ 315 78 14 0.417 53.61000 58.83023 53.32076 -2 1 -1
+ 316 79 13 -0.834 51.89369 64.75001 56.68467 1 0 0
+ 317 79 14 0.417 51.88079 65.63682 56.32462 1 0 0
+ 318 79 14 0.417 52.40589 64.82531 30.11841 1 0 1
+ 319 80 13 -0.834 48.43261 63.10155 32.63566 0 0 1
+ 320 80 14 0.417 47.68021 63.01753 32.04993 0 0 1
+ 321 80 14 0.417 48.13916 62.71424 33.46035 0 0 1
+ 322 81 13 -0.834 62.41171 68.18251 30.67168 0 -1 2
+ 323 81 14 0.417 61.79235 41.16145 30.03143 0 0 2
+ 324 81 14 0.417 63.18314 67.94790 30.15584 0 -1 2
+ 325 82 13 -0.834 42.57575 41.32197 37.66791 0 0 1
+ 326 82 14 0.417 42.98116 41.36016 36.80164 0 0 1
+ 327 82 14 0.417 42.32522 42.22654 37.85569 0 0 1
+ 328 83 13 -0.834 50.17315 67.44398 36.91606 0 -2 0
+ 329 83 14 0.417 50.08765 67.03449 37.77701 0 -2 0
+ 330 83 14 0.417 50.35347 66.71621 36.32101 0 -2 0
+ 331 84 13 -0.834 39.70163 60.45247 40.03790 0 -2 -1
+ 332 84 14 0.417 38.85282 60.01540 40.10676 0 -2 -1
+ 333 84 14 0.417 40.20579 60.11563 40.77858 0 -2 -1
+ 334 85 13 -0.834 51.74323 42.80814 51.33239 0 0 -1
+ 335 85 14 0.417 52.44810 43.22892 51.82466 0 0 -1
+ 336 85 14 0.417 51.80961 43.17998 50.45286 0 0 -1
+ 337 86 13 -0.834 51.34695 47.68316 36.38089 0 0 1
+ 338 86 14 0.417 50.77701 46.92707 36.52138 0 0 1
+ 339 86 14 0.417 51.27109 47.87031 35.44523 0 0 1
+ 340 87 13 -0.834 62.66950 50.66085 43.15883 -2 0 0
+ 341 87 14 0.417 63.57796 50.36318 43.11051 -2 0 0
+ 342 87 14 0.417 62.24654 50.26548 42.39659 -2 0 0
+ 343 88 13 -0.834 46.37996 60.13914 31.06428 -2 -1 1
+ 344 88 14 0.417 46.89125 59.89673 31.83632 -2 -1 1
+ 345 88 14 0.417 45.51811 60.37092 31.41028 -2 -1 1
+ 346 89 13 -0.834 50.23251 41.17559 46.18435 0 1 2
+ 347 89 14 0.417 49.40509 68.16142 45.89628 0 0 2
+ 348 89 14 0.417 50.55747 67.94506 46.85395 0 0 2
+ 349 90 13 -0.834 56.10446 66.70018 42.60390 0 -2 1
+ 350 90 14 0.417 56.27454 67.42915 42.00732 0 -2 1
+ 351 90 14 0.417 56.27819 67.05729 43.47483 0 -2 1
+ 352 91 13 -0.834 55.53824 48.43866 51.97225 -1 0 1
+ 353 91 14 0.417 56.26440 48.96682 52.30388 -1 0 1
+ 354 91 14 0.417 55.26306 48.88494 51.17140 -1 0 1
+ 355 92 13 -0.834 37.88016 52.62502 33.55552 0 -1 0
+ 356 92 14 0.417 37.58757 51.72397 33.41859 0 -1 0
+ 357 92 14 0.417 38.51960 52.77804 32.85986 0 -1 0
+ 358 93 13 -0.834 50.40592 66.14455 39.40035 -1 -2 -1
+ 359 93 14 0.417 49.74974 66.37168 40.05920 -1 -2 -1
+ 360 93 14 0.417 50.22642 65.22843 39.18876 -1 -2 -1
+ 361 94 13 -0.834 59.56315 43.63477 50.02876 -1 0 0
+ 362 94 14 0.417 60.08533 44.36640 50.35782 -1 0 0
+ 363 94 14 0.417 60.10101 42.86112 50.19730 -1 0 0
+ 364 95 13 -0.834 57.16125 61.75981 55.17964 0 0 -1
+ 365 95 14 0.417 56.45534 61.68609 55.82189 0 0 -1
+ 366 95 14 0.417 57.38335 62.69087 55.17297 0 0 -1
+ 367 96 13 -0.834 54.81274 43.48714 43.13392 -1 2 1
+ 368 96 14 0.417 53.88771 43.40698 42.90124 -1 2 1
+ 369 96 14 0.417 54.97915 42.74512 43.71525 -1 2 1
+ 370 97 13 -0.834 41.23040 49.49766 49.75568 0 -2 0
+ 371 97 14 0.417 40.54278 49.43865 49.09241 0 -2 0
+ 372 97 14 0.417 41.81904 48.76959 49.55653 0 -2 0
+ 373 98 13 -0.834 54.20957 45.39084 54.97428 -1 0 0
+ 374 98 14 0.417 54.66721 46.06623 55.47493 -1 0 0
+ 375 98 14 0.417 53.74016 44.87996 55.63374 -1 0 0
+ 376 99 13 -0.834 61.27515 64.38553 39.98716 -1 0 1
+ 377 99 14 0.417 61.56153 64.23410 40.88787 -1 0 1
+ 378 99 14 0.417 60.44736 63.91029 39.91542 -1 0 1
+ 379 100 13 -0.834 55.67284 58.14856 42.21767 -1 1 2
+ 380 100 14 0.417 55.46369 57.24253 42.44485 -1 1 2
+ 381 100 14 0.417 56.62771 58.19397 42.26677 -1 1 2
+ 382 101 13 -0.834 43.66528 51.07118 53.71174 0 0 0
+ 383 101 14 0.417 42.87715 50.89079 53.19934 0 0 0
+ 384 101 14 0.417 43.37793 51.68815 54.38481 0 0 0
+ 385 102 13 -0.834 39.90899 44.53973 36.42818 0 2 0
+ 386 102 14 0.417 39.84006 43.65427 36.07118 0 2 0
+ 387 102 14 0.417 40.52179 44.98683 35.84438 0 2 0
+ 388 103 13 -0.834 51.24695 66.96031 48.71611 -1 -1 1
+ 389 103 14 0.417 50.88275 67.26607 49.54684 -1 -1 1
+ 390 103 14 0.417 52.19366 66.95318 48.85726 -1 -1 1
+ 391 104 13 -0.834 55.15911 56.17347 57.08906 -1 0 0
+ 392 104 14 0.417 55.86241 55.65189 56.70232 -1 0 0
+ 393 104 14 0.417 54.93977 55.71619 30.52949 -1 0 1
+ 394 105 13 -0.834 37.33282 54.30424 56.96734 0 0 0
+ 395 105 14 0.417 64.15558 54.97773 29.99806 -1 0 1
+ 396 105 14 0.417 64.13467 53.88397 56.32293 -1 0 0
+ 397 106 13 -0.834 53.07827 51.20543 32.31512 -1 0 1
+ 398 106 14 0.417 52.39494 50.78813 31.79057 -1 0 1
+ 399 106 14 0.417 52.65819 51.38698 33.15584 -1 0 1
+ 400 107 13 -0.834 43.06086 51.65229 35.75926 1 1 1
+ 401 107 14 0.417 42.70958 52.01746 36.57135 1 1 1
+ 402 107 14 0.417 43.42908 50.80682 36.01586 1 1 1
+ 403 108 13 -0.834 53.92253 56.24460 34.48089 0 0 1
+ 404 108 14 0.417 53.22007 56.39276 35.11401 0 0 1
+ 405 108 14 0.417 54.59075 55.76600 34.97147 0 0 1
+ 406 109 13 -0.834 61.71524 66.84153 38.60005 -1 -1 0
+ 407 109 14 0.417 61.25397 66.04877 38.87388 -1 -1 0
+ 408 109 14 0.417 62.23260 67.09437 39.36467 -1 -1 0
+ 409 110 13 -0.834 43.52824 62.78695 41.49939 0 -1 -1
+ 410 110 14 0.417 43.61050 61.97218 41.00379 0 -1 -1
+ 411 110 14 0.417 43.53140 63.47437 40.83330 0 -1 -1
+ 412 111 13 -0.834 51.13822 55.54090 53.50461 0 1 -2
+ 413 111 14 0.417 50.69587 56.38179 53.62064 0 1 -2
+ 414 111 14 0.417 51.43262 55.54828 52.59383 0 1 -2
+ 415 112 13 -0.834 46.94709 50.11761 31.92599 0 0 0
+ 416 112 14 0.417 47.19652 51.02564 31.75423 0 0 0
+ 417 112 14 0.417 46.57462 49.81059 31.09941 0 0 0
+ 418 113 13 -0.834 47.96666 45.13049 44.46108 -1 2 -1
+ 419 113 14 0.417 47.01871 45.24108 44.53489 -1 2 -1
+ 420 113 14 0.417 48.26343 45.91034 43.99202 -1 2 -1
+ 421 114 13 -0.834 44.43868 43.44849 32.90814 -1 -1 1
+ 422 114 14 0.417 43.86055 43.24165 33.64245 -1 -1 1
+ 423 114 14 0.417 45.31670 43.24154 33.22828 -1 -1 1
+ 424 115 13 -0.834 61.07172 47.80130 53.14504 -1 1 -1
+ 425 115 14 0.417 61.34864 48.71600 53.19864 -1 1 -1
+ 426 115 14 0.417 60.72118 47.60538 54.01394 -1 1 -1
+ 427 116 13 -0.834 51.38727 44.10864 54.92855 -1 0 -1
+ 428 116 14 0.417 50.77962 44.80360 55.18160 -1 0 -1
+ 429 116 14 0.417 52.05111 44.10744 55.61815 -1 0 -1
+ 430 117 13 -0.834 41.05585 60.12319 49.44785 1 -1 0
+ 431 117 14 0.417 41.72702 60.76812 49.67116 1 -1 0
+ 432 117 14 0.417 40.24373 60.62784 49.40265 1 -1 0
+ 433 118 13 -0.834 50.88548 68.33364 33.37284 -1 0 -1
+ 434 118 14 0.417 50.48275 67.46671 33.32310 -1 0 -1
+ 435 118 14 0.417 51.82702 68.16119 33.37343 -1 0 -1
+ 436 119 13 -0.834 38.79644 59.29061 55.22446 1 1 -1
+ 437 119 14 0.417 38.82887 59.83550 56.01077 1 1 -1
+ 438 119 14 0.417 39.26097 59.79985 54.56028 1 1 -1
+ 439 120 13 -0.834 56.31813 41.68729 51.11871 -2 0 -1
+ 440 120 14 0.417 55.45155 41.35580 51.35412 -2 0 -1
+ 441 120 14 0.417 56.14879 42.34135 50.44062 -2 0 -1
+ 442 121 13 -0.834 45.53697 59.28154 47.22033 -1 0 -1
+ 443 121 14 0.417 45.45062 59.55577 46.30733 -1 0 -1
+ 444 121 14 0.417 46.00774 59.99977 47.64313 -1 0 -1
+ 445 122 13 -0.834 60.47636 43.28130 46.20944 -1 0 -1
+ 446 122 14 0.417 60.97762 42.59184 45.77396 -1 0 -1
+ 447 122 14 0.417 59.72992 42.82584 46.59884 -1 0 -1
+ 448 123 13 -0.834 58.49080 48.18289 45.77215 0 0 -1
+ 449 123 14 0.417 58.74342 47.25991 45.74879 0 0 -1
+ 450 123 14 0.417 58.17926 48.32386 46.66621 0 0 -1
+ 451 124 13 -0.834 50.93473 56.12663 41.58575 -1 0 0
+ 452 124 14 0.417 50.36171 56.05214 42.34885 -1 0 0
+ 453 124 14 0.417 50.40135 56.57242 40.92771 -1 0 0
+ 454 125 13 -0.834 60.55008 41.95542 56.22749 -1 0 -1
+ 455 125 14 0.417 59.65163 41.78987 55.94175 -1 0 -1
+ 456 125 14 0.417 61.09463 41.59967 55.52524 -1 0 -1
+ 457 126 13 -0.834 58.58373 51.69338 48.78985 -1 1 0
+ 458 126 14 0.417 58.38773 52.01803 49.66874 -1 1 0
+ 459 126 14 0.417 58.66973 50.74614 48.89756 -1 1 0
+ 460 127 13 -0.834 37.82769 45.69808 30.85100 0 1 3
+ 461 127 14 0.417 38.37007 45.10637 31.37248 0 1 3
+ 462 127 14 0.417 37.14646 45.99401 31.45481 0 1 3
+ 463 128 13 -0.834 50.96455 60.06361 33.68049 0 0 0
+ 464 128 14 0.417 51.72055 60.15430 34.26055 0 0 0
+ 465 128 14 0.417 51.05673 60.77997 33.05234 0 0 0
+ 466 129 13 -0.834 46.43413 68.11245 51.48833 -1 0 -1
+ 467 129 14 0.417 46.82151 41.36005 50.86943 -1 1 -1
+ 468 129 14 0.417 47.09847 67.43153 51.59433 -1 0 -1
+ 469 130 13 -0.834 61.79997 47.41648 57.05141 -1 -1 0
+ 470 130 14 0.417 62.68713 47.23872 56.73898 -1 -1 0
+ 471 130 14 0.417 61.48917 46.57417 30.01195 -1 -1 1
+ 472 131 13 -0.834 45.30689 46.58119 54.43763 0 1 -1
+ 473 131 14 0.417 45.67282 45.73922 54.70859 0 1 -1
+ 474 131 14 0.417 44.46622 46.35973 54.03705 0 1 -1
+ 475 132 13 -0.834 62.60829 48.56385 49.02640 -1 1 0
+ 476 132 14 0.417 62.44761 48.65968 48.08766 -1 1 0
+ 477 132 14 0.417 62.98242 47.68753 49.11762 -1 1 0
+ 478 133 13 -0.834 63.49107 56.77075 38.74961 -1 0 2
+ 479 133 14 0.417 63.12281 56.39554 39.54952 -1 0 2
+ 480 133 14 0.417 62.84612 57.42058 38.47033 -1 0 2
+ 481 134 13 -0.834 50.74846 48.34849 33.46075 0 0 1
+ 482 134 14 0.417 50.75342 49.30521 33.43086 0 0 1
+ 483 134 14 0.417 50.91203 48.07929 32.55686 0 0 1
+ 484 135 13 -0.834 44.40923 67.37148 56.42156 0 0 0
+ 485 135 14 0.417 43.93400 67.78902 29.76856 0 0 1
+ 486 135 14 0.417 44.94884 66.70468 56.84633 0 0 0
+ 487 136 13 -0.834 44.25343 64.95349 43.22104 0 0 0
+ 488 136 14 0.417 44.13229 64.08173 42.84472 0 0 0
+ 489 136 14 0.417 44.01188 65.55470 42.51643 0 0 0
+ 490 137 13 -0.834 46.68300 67.52863 32.69859 -1 -1 0
+ 491 137 14 0.417 46.68369 68.22637 33.35389 -1 -1 0
+ 492 137 14 0.417 47.60248 67.43099 32.45106 -1 -1 0
+ 493 138 13 -0.834 57.25376 61.01737 33.86507 -2 1 1
+ 494 138 14 0.417 57.40827 60.52366 34.67043 -2 1 1
+ 495 138 14 0.417 57.35792 60.37307 33.16488 -2 1 1
+ 496 139 13 -0.834 57.39946 54.16835 56.70699 0 -1 -1
+ 497 139 14 0.417 57.31939 53.23092 56.53080 0 -1 -1
+ 498 139 14 0.417 57.32300 54.24112 30.28699 0 -1 0
+ 499 140 13 -0.834 52.36697 48.69246 41.49227 -1 1 0
+ 500 140 14 0.417 51.78735 47.93629 41.40021 -1 1 0
+ 501 140 14 0.417 53.21603 48.31702 41.72547 -1 1 0
+ 502 141 13 -0.834 54.69200 49.57915 45.55048 0 0 -1
+ 503 141 14 0.417 54.95958 48.66911 45.42211 0 0 -1
+ 504 141 14 0.417 55.28513 50.08439 44.99446 0 0 -1
+ 505 142 13 -0.834 37.26724 53.17896 42.50469 1 -1 -1
+ 506 142 14 0.417 63.93194 53.34801 43.12782 0 -1 -1
+ 507 142 14 0.417 36.94831 52.45044 41.97199 1 -1 -1
+ 508 143 13 -0.834 42.56283 66.92379 33.49577 -1 0 1
+ 509 143 14 0.417 41.71356 66.58931 33.20750 -1 0 1
+ 510 143 14 0.417 43.03645 66.14842 33.79697 -1 0 1
+ 511 144 13 -0.834 61.43331 45.62855 38.97695 0 1 1
+ 512 144 14 0.417 61.20190 45.98514 39.83458 0 1 1
+ 513 144 14 0.417 62.31351 45.96414 38.80708 0 1 1
+ 514 145 13 -0.834 49.37935 56.26031 56.72879 1 1 0
+ 515 145 14 0.417 49.03977 57.11146 56.45221 1 1 0
+ 516 145 14 0.417 48.60052 55.75658 56.96530 1 1 0
+ 517 146 13 -0.834 63.13959 56.23999 49.92079 -1 0 -1
+ 518 146 14 0.417 63.72474 55.58123 50.29478 -1 0 -1
+ 519 146 14 0.417 63.40966 57.06154 50.33112 -1 0 -1
+ 520 147 13 -0.834 58.55937 66.56287 54.17345 -1 0 0
+ 521 147 14 0.417 59.28260 66.81524 53.59945 -1 0 0
+ 522 147 14 0.417 58.28559 67.38088 54.58834 -1 0 0
+ 523 148 13 -0.834 55.49901 62.14366 46.01274 -1 0 -1
+ 524 148 14 0.417 55.08057 61.57956 45.36238 -1 0 -1
+ 525 148 14 0.417 55.53371 63.00495 45.59652 -1 0 -1
+ 526 149 13 -0.834 48.09589 47.38106 38.97384 0 1 0
+ 527 149 14 0.417 47.94178 48.02346 38.28116 0 1 0
+ 528 149 14 0.417 47.26125 47.32494 39.43910 0 1 0
+ 529 150 13 -0.834 40.27661 53.03711 48.83757 0 0 0
+ 530 150 14 0.417 40.32476 53.91333 49.21992 0 0 0
+ 531 150 14 0.417 41.18363 52.81848 48.62365 0 0 0
+ 532 151 13 -0.834 36.85277 41.68065 44.81488 1 2 0
+ 533 151 14 0.417 36.95709 68.34807 45.45504 1 1 0
+ 534 151 14 0.417 37.14062 41.29651 43.98673 1 2 0
+ 535 152 13 -0.834 37.74881 65.81650 33.58759 -1 0 1
+ 536 152 14 0.417 37.69052 65.99217 34.52673 -1 0 1
+ 537 152 14 0.417 37.02193 65.21970 33.40951 -1 0 1
+ 538 153 13 -0.834 63.01838 46.13766 43.99274 -2 0 0
+ 539 153 14 0.417 62.72780 46.33504 43.10232 -2 0 0
+ 540 153 14 0.417 63.75125 46.73459 44.14387 -2 0 0
+ 541 154 13 -0.834 43.83288 53.92104 38.64974 0 2 1
+ 542 154 14 0.417 44.46072 53.30394 39.02556 0 2 1
+ 543 154 14 0.417 44.17373 54.10726 37.77488 0 2 1
+ 544 155 13 -0.834 54.48021 41.30441 45.39416 1 1 -2
+ 545 155 14 0.417 54.42996 67.86451 44.88861 1 0 -2
+ 546 155 14 0.417 54.84291 41.03852 46.23914 1 1 -2
+ 547 156 13 -0.834 51.26407 63.10699 50.73012 0 0 -2
+ 548 156 14 0.417 51.64016 62.23294 50.83411 0 0 -2
+ 549 156 14 0.417 51.56733 63.39797 49.87011 0 0 -2
+ 550 157 13 -0.834 54.61161 63.67709 53.56970 0 1 1
+ 551 157 14 0.417 55.55339 63.81655 53.47054 0 1 1
+ 552 157 14 0.417 54.24805 63.87070 52.70565 0 1 1
+ 553 158 13 -0.834 46.57444 42.69363 30.13287 -1 0 1
+ 554 158 14 0.417 45.93025 42.28051 30.70783 -1 0 1
+ 555 158 14 0.417 47.27305 42.04459 30.04973 -1 0 1
+ 556 159 13 -0.834 37.92811 50.36816 42.31352 1 1 0
+ 557 159 14 0.417 38.62401 50.90050 42.69899 1 1 0
+ 558 159 14 0.417 38.11553 50.37135 41.37484 1 1 0
+ 559 160 13 -0.834 40.53318 48.69302 33.52502 -1 0 0
+ 560 160 14 0.417 40.10720 48.55075 32.67972 -1 0 0
+ 561 160 14 0.417 41.22323 49.33057 33.34173 -1 0 0
+ 562 161 13 -0.834 58.20095 45.48345 42.83426 1 0 -1
+ 563 161 14 0.417 58.76156 46.25356 42.92849 1 0 -1
+ 564 161 14 0.417 58.80813 44.74348 42.83158 1 0 -1
+ 565 162 13 -0.834 59.85909 67.06752 31.43173 -1 1 0
+ 566 162 14 0.417 59.95062 66.12180 31.54782 -1 1 0
+ 567 162 14 0.417 60.75672 67.38534 31.33437 -1 1 0
+ 568 163 13 -0.834 48.48808 51.17807 55.92072 -2 0 0
+ 569 163 14 0.417 49.24951 51.62602 55.55219 -2 0 0
+ 570 163 14 0.417 48.81105 50.30745 56.15303 -2 0 0
+ 571 164 13 -0.834 47.51169 45.69616 48.99410 0 0 -1
+ 572 164 14 0.417 48.36822 46.03425 48.73281 0 0 -1
+ 573 164 14 0.417 47.56201 45.62598 49.94740 0 0 -1
+ 574 165 13 -0.834 51.10678 64.23082 47.99167 0 -2 -1
+ 575 165 14 0.417 51.33188 65.16116 47.98611 0 -2 -1
+ 576 165 14 0.417 50.15837 64.21415 48.12002 0 -2 -1
+ 577 166 13 -0.834 42.97263 56.29674 30.18230 0 0 0
+ 578 166 14 0.417 42.45756 55.50818 30.01170 0 0 0
+ 579 166 14 0.417 42.79675 56.86516 56.80386 0 0 -1
+ 580 167 13 -0.834 44.45917 53.64338 31.85015 -1 0 0
+ 581 167 14 0.417 44.64093 54.17218 31.07325 -1 0 0
+ 582 167 14 0.417 43.66299 53.15965 31.63030 -1 0 0
+ 583 168 13 -0.834 52.20677 49.92062 48.65330 1 0 0
+ 584 168 14 0.417 52.24176 50.63538 49.28902 1 0 0
+ 585 168 14 0.417 52.01918 50.35058 47.81890 1 0 0
+ 586 169 13 -0.834 45.94013 51.43638 56.49888 0 0 0
+ 587 169 14 0.417 46.89200 51.34153 56.53372 0 0 0
+ 588 169 14 0.417 45.60504 50.66051 56.94833 0 0 0
+ 589 170 13 -0.834 45.61845 41.38709 48.05698 1 0 0
+ 590 170 14 0.417 46.42604 41.83441 47.80406 1 0 0
+ 591 170 14 0.417 45.31743 41.85685 48.83477 1 0 0
+ 592 171 13 -0.834 47.68232 42.84819 52.92728 0 1 0
+ 593 171 14 0.417 47.61830 42.41414 52.07654 0 1 0
+ 594 171 14 0.417 48.39202 42.39011 53.37758 0 1 0
+ 595 172 13 -0.834 37.01774 65.84057 36.39542 1 -1 0
+ 596 172 14 0.417 36.84918 65.13561 37.02061 1 -1 0
+ 597 172 14 0.417 63.52368 66.19949 36.19938 0 -1 0
+ 598 173 13 -0.834 51.52891 58.65207 39.31760 -1 -3 -1
+ 599 173 14 0.417 51.57384 59.35596 39.96472 -1 -3 -1
+ 600 173 14 0.417 51.00435 59.01522 38.60403 -1 -3 -1
+ 601 174 13 -0.834 49.06578 54.25781 44.33488 0 -1 -1
+ 602 174 14 0.417 48.81980 55.18018 44.26437 0 -1 -1
+ 603 174 14 0.417 49.41695 54.17018 45.22104 0 -1 -1
+ 604 175 13 -0.834 47.03819 42.38557 34.31948 -1 -1 0
+ 605 175 14 0.417 47.39035 41.82883 35.01393 -1 -1 0
+ 606 175 14 0.417 47.47024 43.23019 34.44673 -1 -1 0
+ 607 176 13 -0.834 41.64025 43.65472 38.33192 0 1 0
+ 608 176 14 0.417 41.17224 44.02383 37.58295 0 1 0
+ 609 176 14 0.417 41.46027 44.26142 39.05008 0 1 0
+ 610 177 13 -0.834 61.41261 58.14241 37.49312 -2 0 0
+ 611 177 14 0.417 61.24368 59.06676 37.67551 -2 0 0
+ 612 177 14 0.417 60.57871 57.80631 37.16465 -2 0 0
+ 613 178 13 -0.834 48.58355 55.60536 32.34542 0 -2 -2
+ 614 178 14 0.417 48.05292 55.64371 31.54969 0 -2 -2
+ 615 178 14 0.417 49.00004 56.46561 32.39784 0 -2 -2
+ 616 179 13 -0.834 51.18618 52.33768 44.26866 0 -1 0
+ 617 179 14 0.417 50.47419 52.97535 44.21659 0 -1 0
+ 618 179 14 0.417 51.18053 51.90159 43.41657 0 -1 0
+ 619 180 13 -0.834 63.77008 46.64985 53.45124 -2 0 -1
+ 620 180 14 0.417 37.25943 46.94040 53.14955 -1 0 -1
+ 621 180 14 0.417 63.15834 47.28506 53.07904 -2 0 -1
+ 622 181 13 -0.834 37.28071 56.79400 31.30862 1 1 0
+ 623 181 14 0.417 37.34297 57.68998 31.63963 1 1 0
+ 624 181 14 0.417 36.99543 56.89301 30.40030 1 1 0
+ 625 182 13 -0.834 38.98742 57.66608 44.07685 1 0 1
+ 626 182 14 0.417 39.04152 57.61214 43.12270 1 0 1
+ 627 182 14 0.417 39.46043 56.89430 44.38805 1 0 1
+ 628 183 13 -0.834 64.13749 51.25767 48.28997 0 -1 0
+ 629 183 14 0.417 64.05120 52.19840 48.13566 0 -1 0
+ 630 183 14 0.417 63.26932 50.90255 48.09918 0 -1 0
+ 631 184 13 -0.834 41.02949 42.14202 43.02064 0 0 -1
+ 632 184 14 0.417 40.60130 42.82178 43.54104 0 0 -1
+ 633 184 14 0.417 40.43829 41.99723 42.28189 0 0 -1
+ 634 185 13 -0.834 49.87332 48.21836 52.83028 0 1 0
+ 635 185 14 0.417 49.13733 48.15035 53.43849 0 1 0
+ 636 185 14 0.417 50.32176 47.37567 52.90100 0 1 0
+ 637 186 13 -0.834 56.06860 48.51217 38.12813 -1 1 0
+ 638 186 14 0.417 56.55702 47.73454 38.39826 -1 1 0
+ 639 186 14 0.417 55.52690 48.21357 37.39762 -1 1 0
+ 640 187 13 -0.834 54.22718 59.47740 40.22374 -1 0 1
+ 641 187 14 0.417 53.93839 59.03820 39.42377 -1 0 1
+ 642 187 14 0.417 54.74005 58.81629 40.68868 -1 0 1
+ 643 188 13 -0.834 60.09461 46.88146 32.04739 -1 0 -1
+ 644 188 14 0.417 60.91535 46.43611 31.83683 -1 0 -1
+ 645 188 14 0.417 60.13630 47.02716 32.99253 -1 0 -1
+ 646 189 13 -0.834 45.18646 44.57845 41.54076 0 0 0
+ 647 189 14 0.417 44.28239 44.89208 41.51774 0 0 0
+ 648 189 14 0.417 45.34481 44.23786 40.66033 0 0 0
+ 649 190 13 -0.834 42.47099 45.68692 31.56356 1 0 1
+ 650 190 14 0.417 43.26152 45.18821 31.76995 1 0 1
+ 651 190 14 0.417 42.78187 46.58070 31.41951 1 0 1
+ 652 191 13 -0.834 41.23413 47.67043 41.85221 0 1 0
+ 653 191 14 0.417 41.04508 48.58329 42.06946 0 1 0
+ 654 191 14 0.417 40.84394 47.54379 40.98737 0 1 0
+ 655 192 13 -0.834 48.84750 60.39708 36.57115 0 0 0
+ 656 192 14 0.417 48.57626 59.48478 36.46920 0 0 0
+ 657 192 14 0.417 48.59448 60.62409 37.46597 0 0 0
+ 658 193 13 -0.834 56.78263 43.55464 49.12966 -1 0 -1
+ 659 193 14 0.417 56.56851 44.25428 48.51250 -1 0 -1
+ 660 193 14 0.417 57.66563 43.76469 49.43365 -1 0 -1
+ 661 194 13 -0.834 59.52236 53.66894 43.24587 -1 2 0
+ 662 194 14 0.417 59.44365 54.61174 43.10041 -1 2 0
+ 663 194 14 0.417 59.73284 53.58637 44.17598 -1 2 0
+ 664 195 13 -0.834 63.61393 61.54696 40.57053 -1 -1 1
+ 665 195 14 0.417 36.90989 60.94398 40.24291 0 -1 1
+ 666 195 14 0.417 63.74510 61.55794 41.51864 -1 -1 1
+ 667 196 13 -0.834 54.91742 43.16160 33.69639 0 0 -1
+ 668 196 14 0.417 55.84062 43.16106 33.94925 0 0 -1
+ 669 196 14 0.417 54.73416 44.07060 33.45898 0 0 -1
+ 670 197 13 -0.834 41.09699 64.92982 48.38401 0 -1 -1
+ 671 197 14 0.417 40.19042 64.83711 48.67687 0 -1 -1
+ 672 197 14 0.417 41.27055 64.13206 47.88433 0 -1 -1
+ 673 198 13 -0.834 49.09688 60.43369 49.80048 0 0 -1
+ 674 198 14 0.417 49.75346 61.03633 50.14971 0 0 -1
+ 675 198 14 0.417 49.51718 59.57440 49.83534 0 0 -1
+ 676 199 13 -0.834 45.06873 45.25146 44.50830 0 1 0
+ 677 199 14 0.417 45.08807 45.11881 43.56053 0 1 0
+ 678 199 14 0.417 44.41198 44.63084 44.82413 0 1 0
+ 679 200 13 -0.834 37.63886 45.88962 36.45768 0 0 2
+ 680 200 14 0.417 38.32892 45.23766 36.58017 0 0 2
+ 681 200 14 0.417 37.24627 45.98938 37.32495 0 0 2
+ 682 201 13 -0.834 45.25770 47.01692 51.04211 -1 0 -2
+ 683 201 14 0.417 45.49830 47.82868 50.59555 -1 0 -2
+ 684 201 14 0.417 46.08295 46.68269 51.39354 -1 0 -2
+ 685 202 13 -0.834 63.44567 60.77839 50.98507 -2 0 0
+ 686 202 14 0.417 62.95029 60.46072 51.74001 -2 0 0
+ 687 202 14 0.417 62.77774 61.08133 50.36998 -2 0 0
+ 688 203 13 -0.834 48.00038 59.99003 33.31045 0 1 1
+ 689 203 14 0.417 48.92391 59.89924 33.54518 0 1 1
+ 690 203 14 0.417 47.68314 60.70831 33.85788 0 1 1
+ 691 204 13 -0.834 51.29617 53.45952 36.10138 -1 -1 1
+ 692 204 14 0.417 50.79623 53.20605 36.87731 -1 -1 1
+ 693 204 14 0.417 51.41983 54.40421 36.19363 -1 -1 1
+ 694 205 13 -0.834 48.55343 45.13540 34.47517 0 0 0
+ 695 205 14 0.417 48.10547 45.97105 34.34382 0 0 0
+ 696 205 14 0.417 49.13373 45.28879 35.22081 0 0 0
+ 697 206 13 -0.834 48.34844 61.02741 54.77908 1 -1 -1
+ 698 206 14 0.417 47.77364 61.75290 55.02301 1 -1 -1
+ 699 206 14 0.417 49.14675 61.17253 55.28690 1 -1 -1
+ 700 207 13 -0.834 38.97661 48.73541 31.27301 2 -1 0
+ 701 207 14 0.417 38.86774 47.99634 30.67453 2 -1 0
+ 702 207 14 0.417 38.60214 49.48112 30.80404 2 -1 0
+ 703 208 13 -0.834 56.37687 61.69299 40.12439 0 -1 -1
+ 704 208 14 0.417 56.35009 61.71409 39.16778 0 -1 -1
+ 705 208 14 0.417 55.62486 61.15580 40.37371 0 -1 -1
+ 706 209 13 -0.834 47.86700 41.38854 36.76722 -1 0 0
+ 707 209 14 0.417 48.79854 41.26117 36.94678 -1 0 0
+ 708 209 14 0.417 47.57553 42.00602 37.43804 -1 0 0
+ 709 210 13 -0.834 43.22089 60.92576 39.48904 -1 -1 0
+ 710 210 14 0.417 42.70029 60.20976 39.85311 -1 -1 0
+ 711 210 14 0.417 43.25319 60.74538 38.54954 -1 -1 0
+ 712 211 13 -0.834 56.26248 49.03317 34.29585 -1 0 0
+ 713 211 14 0.417 56.69244 49.86416 34.09381 -1 0 0
+ 714 211 14 0.417 55.61194 48.92467 33.60212 -1 0 0
+ 715 212 13 -0.834 47.52063 49.37901 51.21673 1 0 0
+ 716 212 14 0.417 48.35964 48.95385 51.03909 1 0 0
+ 717 212 14 0.417 47.47856 49.43746 52.17122 1 0 0
+ 718 213 13 -0.834 62.35532 56.31018 41.33556 0 0 0
+ 719 213 14 0.417 62.07506 57.22150 41.42032 0 0 0
+ 720 213 14 0.417 62.92184 56.16192 42.09274 0 0 0
+ 721 214 13 -0.834 61.09797 64.53756 45.11003 -1 0 1
+ 722 214 14 0.417 61.11801 63.59600 44.93887 -1 0 1
+ 723 214 14 0.417 61.95676 64.85132 44.82670 -1 0 1
+ 724 215 13 -0.834 51.22661 62.08872 31.93454 0 0 0
+ 725 215 14 0.417 51.98994 62.65586 32.04369 0 0 0
+ 726 215 14 0.417 50.47877 62.65171 32.13456 0 0 0
+ 727 216 13 -0.834 40.65443 48.64853 54.43476 0 0 -1
+ 728 216 14 0.417 40.25608 47.97845 54.99023 0 0 -1
+ 729 216 14 0.417 41.58025 48.64240 54.67776 0 0 -1
+ 730 217 13 -0.834 39.34873 63.07587 52.07209 1 1 -1
+ 731 217 14 0.417 39.17266 63.98076 51.81438 1 1 -1
+ 732 217 14 0.417 39.29792 62.57948 51.25523 1 1 -1
+ 733 218 13 -0.834 45.66307 65.90840 47.75613 -1 0 0
+ 734 218 14 0.417 44.99427 65.52542 48.32381 -1 0 0
+ 735 218 14 0.417 45.75913 66.80721 48.07102 -1 0 0
+ 736 219 13 -0.834 45.83158 51.91442 38.93974 0 0 0
+ 737 219 14 0.417 46.07939 51.87422 39.86344 0 0 0
+ 738 219 14 0.417 45.49928 51.03877 38.74210 0 0 0
+ 739 220 13 -0.834 58.03934 67.88594 44.36036 -1 1 -1
+ 740 220 14 0.417 58.69084 68.22520 43.74661 -1 1 -1
+ 741 220 14 0.417 58.24719 68.31309 45.19138 -1 1 -1
+ 742 221 13 -0.834 57.23319 66.95459 30.42832 0 0 0
+ 743 221 14 0.417 56.95316 66.93560 31.34345 0 0 0
+ 744 221 14 0.417 58.18154 66.82998 30.46491 0 0 0
+ 745 222 13 -0.834 60.87005 44.72970 53.74755 -1 0 -1
+ 746 222 14 0.417 60.02694 44.42275 53.41412 -1 0 -1
+ 747 222 14 0.417 61.31963 45.07903 52.97808 -1 0 -1
+ 748 223 13 -0.834 50.61352 50.44308 31.66369 0 -1 0
+ 749 223 14 0.417 50.38691 49.95555 30.87173 0 -1 0
+ 750 223 14 0.417 50.16704 51.28387 31.56391 0 -1 0
+ 751 224 13 -0.834 42.70363 42.07925 34.73823 0 1 0
+ 752 224 14 0.417 42.74630 41.15512 34.49249 0 1 0
+ 753 224 14 0.417 41.77538 42.23983 34.90796 0 1 0
+ 754 225 13 -0.834 50.34157 43.80796 44.49841 -1 1 0
+ 755 225 14 0.417 49.44649 44.14718 44.50119 -1 1 0
+ 756 225 14 0.417 50.24323 42.86994 44.66171 -1 1 0
+ 757 226 13 -0.834 62.39528 64.92163 33.72829 -3 -1 1
+ 758 226 14 0.417 61.94679 64.42233 34.41078 -3 -1 1
+ 759 226 14 0.417 61.94061 64.68505 32.91986 -3 -1 1
+ 760 227 13 -0.834 46.62188 47.13429 41.79430 0 1 1
+ 761 227 14 0.417 46.21721 46.28415 41.62178 0 1 1
+ 762 227 14 0.417 47.40198 46.92861 42.30946 0 1 1
+ 763 228 13 -0.834 41.35469 54.31275 56.45453 0 0 -1
+ 764 228 14 0.417 41.79769 53.47653 56.31055 0 0 -1
+ 765 228 14 0.417 40.57273 54.26794 55.90425 0 0 -1
+ 766 229 13 -0.834 48.43878 42.20000 49.94999 0 0 0
+ 767 229 14 0.417 49.34431 42.29756 50.24447 0 0 0
+ 768 229 14 0.417 48.41583 42.63350 49.09688 0 0 0
+ 769 230 13 -0.834 37.29829 50.04209 33.34795 0 1 0
+ 770 230 14 0.417 36.96213 49.51969 34.07619 0 1 0
+ 771 230 14 0.417 37.98470 49.49933 32.96002 0 1 0
+ 772 231 13 -0.834 58.91995 56.17895 33.02333 -1 0 0
+ 773 231 14 0.417 59.83980 56.43785 32.96791 -1 0 0
+ 774 231 14 0.417 58.89269 55.54120 33.73661 -1 0 0
+ 775 232 13 -0.834 39.86900 65.81481 43.81866 0 0 -1
+ 776 232 14 0.417 40.31483 64.99515 43.60502 0 0 -1
+ 777 232 14 0.417 40.41298 66.21397 44.49762 0 0 -1
+ 778 233 13 -0.834 62.71324 65.93556 51.55400 -1 0 0
+ 779 233 14 0.417 62.38032 66.39597 52.32436 -1 0 0
+ 780 233 14 0.417 63.52336 65.52245 51.85285 -1 0 0
+ 781 234 13 -0.834 59.23324 49.58642 31.35843 0 0 0
+ 782 234 14 0.417 59.28102 48.68976 31.69001 0 0 0
+ 783 234 14 0.417 59.95115 50.04304 31.79700 0 0 0
+ 784 235 13 -0.834 41.02310 67.21389 51.60243 0 0 0
+ 785 235 14 0.417 41.77450 67.79064 51.74021 0 0 0
+ 786 235 14 0.417 40.36922 67.76899 51.17753 0 0 0
+ 787 236 13 -0.834 41.38918 62.43794 34.42449 0 0 1
+ 788 236 14 0.417 41.26665 63.14612 33.79227 0 0 1
+ 789 236 14 0.417 42.30454 62.51275 34.69423 0 0 1
+ 790 237 13 -0.834 52.28796 56.01034 50.59905 0 -1 -1
+ 791 237 14 0.417 53.14113 56.07317 51.02851 0 -1 -1
+ 792 237 14 0.417 52.14509 55.07070 50.48548 0 -1 -1
+ 793 238 13 -0.834 53.25204 66.52198 39.76351 0 -1 0
+ 794 238 14 0.417 52.30774 66.44732 39.62571 0 -1 0
+ 795 238 14 0.417 53.47725 67.38617 39.41895 0 -1 0
+ 796 239 13 -0.834 59.77604 60.82055 48.12264 -1 -1 -1
+ 797 239 14 0.417 59.80699 60.05926 48.70205 -1 -1 -1
+ 798 239 14 0.417 58.96049 60.71611 47.63253 -1 -1 -1
+ 799 240 13 -0.834 48.99693 51.07559 36.89084 0 -1 1
+ 800 240 14 0.417 48.22315 50.55308 37.10175 0 -1 1
+ 801 240 14 0.417 48.88824 51.30348 35.96753 0 -1 1
+ 802 241 13 -0.834 50.67863 62.63916 55.60559 1 0 -2
+ 803 241 14 0.417 51.43406 62.16856 55.25331 1 0 -2
+ 804 241 14 0.417 51.05760 63.36945 56.09477 1 0 -2
+ 805 242 13 -0.834 41.05301 64.77947 55.72335 1 -1 -1
+ 806 242 14 0.417 41.95836 64.58666 55.96711 1 -1 -1
+ 807 242 14 0.417 41.07998 65.67647 55.39035 1 -1 -1
+ 808 243 13 -0.834 59.16096 63.30207 34.55147 0 -1 2
+ 809 243 14 0.417 58.62636 62.51316 34.64131 0 -1 2
+ 810 243 14 0.417 59.80830 63.23451 35.25333 0 -1 2
+ 811 244 13 -0.834 59.86542 53.52546 55.50419 0 -1 -1
+ 812 244 14 0.417 60.26921 53.79963 56.32761 0 -1 -1
+ 813 244 14 0.417 58.96256 53.83773 55.56399 0 -1 -1
+ 814 245 13 -0.834 56.48528 44.99075 44.65443 1 0 0
+ 815 245 14 0.417 55.84854 44.49932 44.13551 1 0 0
+ 816 245 14 0.417 57.18258 45.20803 44.03571 1 0 0
+ 817 246 13 -0.834 37.25407 54.85866 36.86076 0 -1 -1
+ 818 246 14 0.417 37.37951 55.31820 36.03050 0 -1 -1
+ 819 246 14 0.417 36.91899 55.52805 37.45731 0 -1 -1
+ 820 247 13 -0.834 54.42875 47.21339 48.23883 -1 -1 -1
+ 821 247 14 0.417 54.60966 48.13349 48.43097 -1 -1 -1
+ 822 247 14 0.417 54.44092 47.16092 47.28312 -1 -1 -1
+ 823 248 13 -0.834 42.61226 41.78391 40.84493 1 0 1
+ 824 248 14 0.417 41.98531 41.90233 41.55849 1 0 1
+ 825 248 14 0.417 42.35866 42.43623 40.19194 1 0 1
+ 826 249 13 -0.834 37.83522 41.95649 50.31377 0 0 -2
+ 827 249 14 0.417 37.42231 42.81133 50.19124 0 0 -2
+ 828 249 14 0.417 37.46684 41.41031 49.61934 0 0 -2
+ 829 250 13 -0.834 44.80898 44.15062 49.20688 0 -1 0
+ 830 250 14 0.417 44.80289 44.55594 48.33975 0 -1 0
+ 831 250 14 0.417 45.29722 44.76463 49.75537 0 -1 0
+ 832 251 13 -0.834 37.44321 44.03405 38.75076 1 0 1
+ 833 251 14 0.417 37.12277 44.06014 39.65235 1 0 1
+ 834 251 14 0.417 64.13547 43.56266 38.26824 0 0 1
+ 835 252 13 -0.834 38.82113 46.15070 46.12915 1 0 0
+ 836 252 14 0.417 38.96657 46.44867 47.02709 1 0 0
+ 837 252 14 0.417 38.09796 45.52731 46.19733 1 0 0
+ 838 253 13 -0.834 43.08482 60.65520 45.34135 -1 0 1
+ 839 253 14 0.417 42.82882 59.73347 45.30784 -1 0 1
+ 840 253 14 0.417 44.00885 60.65685 45.09147 -1 0 1
+ 841 254 13 -0.834 45.72190 46.51173 32.51384 1 0 0
+ 842 254 14 0.417 46.00925 45.78294 31.96381 1 0 0
+ 843 254 14 0.417 46.53186 46.95248 32.77064 1 0 0
+ 844 255 13 -0.834 63.64359 44.33728 41.24417 -1 0 0
+ 845 255 14 0.417 63.60411 43.61794 41.87443 -1 0 0
+ 846 255 14 0.417 62.76926 44.36407 40.85550 -1 0 0
+ 847 256 13 -0.834 48.53353 66.27879 51.60437 0 0 -1
+ 848 256 14 0.417 49.21611 66.24938 50.93396 0 0 -1
+ 849 256 14 0.417 48.67507 65.48862 52.12577 0 0 -1
+ 850 257 13 -0.834 54.11962 54.32751 39.83526 -1 1 1
+ 851 257 14 0.417 53.37975 54.47391 39.24585 -1 1 1
+ 852 257 14 0.417 53.95747 53.46346 40.21391 -1 1 1
+ 853 258 13 -0.834 53.72785 66.08707 44.78384 -1 -1 0
+ 854 258 14 0.417 54.65423 65.85662 44.85413 -1 -1 0
+ 855 258 14 0.417 53.26300 65.26936 44.96130 -1 -1 0
+ 856 259 13 -0.834 39.06287 51.40870 53.96063 0 0 -1
+ 857 259 14 0.417 39.12854 51.34243 53.00796 0 0 -1
+ 858 259 14 0.417 38.38057 52.06341 54.10916 0 0 -1
+ 859 260 13 -0.834 58.77064 49.77012 37.45292 0 0 0
+ 860 260 14 0.417 59.49652 49.20688 37.72142 0 0 0
+ 861 260 14 0.417 57.98575 49.25379 37.63621 0 0 0
+ 862 261 13 -0.834 37.94204 48.36591 35.22049 -1 0 0
+ 863 261 14 0.417 37.94000 47.48368 35.59187 -1 0 0
+ 864 261 14 0.417 38.86901 48.59216 35.14453 -1 0 0
+ 865 262 13 -0.834 47.05754 54.06564 40.63628 0 -2 1
+ 866 262 14 0.417 47.01965 53.22193 41.08679 0 -2 1
+ 867 262 14 0.417 46.68660 54.68838 41.26145 0 -2 1
+ 868 263 13 -0.834 46.01283 65.88108 53.59469 0 0 0
+ 869 263 14 0.417 45.30729 66.50296 53.77277 0 0 0
+ 870 263 14 0.417 46.76378 66.42902 53.36650 0 0 0
+ 871 264 13 -0.834 45.32546 67.91008 39.11365 -1 -1 0
+ 872 264 14 0.417 44.38981 67.96233 38.91853 -1 -1 0
+ 873 264 14 0.417 45.70517 67.47097 38.35257 -1 -1 0
+ 874 265 13 -0.834 55.39761 51.53823 53.16553 -1 1 -1
+ 875 265 14 0.417 54.64975 52.10179 53.36389 -1 1 -1
+ 876 265 14 0.417 55.78119 51.91789 52.37499 -1 1 -1
+ 877 266 13 -0.834 57.06415 51.22923 32.75117 -1 -1 0
+ 878 266 14 0.417 56.79908 52.11139 32.49079 -1 -1 0
+ 879 266 14 0.417 57.98399 51.16910 32.49322 -1 -1 0
+ 880 267 13 -0.834 50.05222 47.30342 45.67457 0 0 -2
+ 881 267 14 0.417 49.85957 46.82324 46.47990 0 0 -2
+ 882 267 14 0.417 50.60617 46.70964 45.16781 0 0 -2
+ 883 268 13 -0.834 50.46819 45.47822 52.51129 0 1 -1
+ 884 268 14 0.417 50.78823 45.07196 53.31677 0 1 -1
+ 885 268 14 0.417 51.03886 45.13243 51.82499 0 1 -1
+ 886 269 13 -0.834 47.44130 61.30175 47.80124 0 0 0
+ 887 269 14 0.417 48.02715 60.89314 48.43850 0 0 0
+ 888 269 14 0.417 47.98636 61.43626 47.02595 0 0 0
+ 889 270 13 -0.834 41.31630 52.47434 39.71677 1 0 0
+ 890 270 14 0.417 41.07609 52.94514 40.51485 1 0 0
+ 891 270 14 0.417 42.05418 52.96849 39.35955 1 0 0
+ 892 271 13 -0.834 55.90762 58.63213 50.47814 0 1 0
+ 893 271 14 0.417 55.80273 59.37784 51.06903 0 1 0
+ 894 271 14 0.417 55.41449 58.87554 49.69468 0 1 0
+ 895 272 13 -0.834 42.23424 55.62725 53.35280 0 1 -1
+ 896 272 14 0.417 41.62946 55.10926 53.88399 0 1 -1
+ 897 272 14 0.417 41.75761 56.43615 53.16647 0 1 -1
+ 898 273 13 -0.834 62.31754 63.97065 42.48774 0 0 1
+ 899 273 14 0.417 63.27023 64.05391 42.44669 0 0 1
+ 900 273 14 0.417 62.16851 63.13573 42.93152 0 0 1
+ 901 274 13 -0.834 60.93154 49.79182 56.13812 0 -1 0
+ 902 274 14 0.417 61.38991 48.97402 56.33134 0 -1 0
+ 903 274 14 0.417 60.29808 49.88575 56.84955 0 -1 0
+ 904 275 13 -0.834 50.39572 45.11274 36.60756 0 1 -1
+ 905 275 14 0.417 50.88541 44.33834 36.33051 0 1 -1
+ 906 275 14 0.417 50.38352 45.05976 37.56322 0 1 -1
+ 907 276 13 -0.834 46.57204 43.12189 39.29488 -1 2 -1
+ 908 276 14 0.417 46.48449 42.17951 39.43813 -1 2 -1
+ 909 276 14 0.417 47.49357 43.30747 39.47547 -1 2 -1
+ 910 277 13 -0.834 54.39979 41.37518 38.62483 0 0 1
+ 911 277 14 0.417 54.27469 42.27221 38.31511 0 0 1
+ 912 277 14 0.417 54.57135 68.24024 37.83080 0 -1 1
+ 913 278 13 -0.834 60.57638 52.40343 41.12327 -1 1 -1
+ 914 278 14 0.417 60.40196 53.27982 40.78010 -1 1 -1
+ 915 278 14 0.417 60.37657 52.46726 42.05721 -1 1 -1
+ 916 279 13 -0.834 61.77806 59.06524 41.98029 0 0 0
+ 917 279 14 0.417 62.58317 59.36537 42.40214 0 0 0
+ 918 279 14 0.417 61.10430 59.16112 42.65342 0 0 0
+ 919 280 13 -0.834 43.46789 48.64833 54.88223 0 1 -2
+ 920 280 14 0.417 43.60676 49.48200 54.43286 0 1 -2
+ 921 280 14 0.417 43.74339 47.98554 54.24895 0 1 -2
+ 922 281 13 -0.834 51.98628 58.37454 48.60562 -1 0 0
+ 923 281 14 0.417 51.81372 57.54909 49.05852 -1 0 0
+ 924 281 14 0.417 52.67545 58.16319 47.97583 -1 0 0
+ 925 282 13 -0.834 55.00551 65.64176 56.63926 0 -1 -1
+ 926 282 14 0.417 55.59134 66.11131 29.86167 0 -1 0
+ 927 282 14 0.417 54.80211 66.27584 55.95165 0 -1 -1
+ 928 283 13 -0.834 55.02996 52.59142 50.59986 -1 1 0
+ 929 283 14 0.417 54.13615 52.66743 50.26585 -1 1 0
+ 930 283 14 0.417 55.48513 53.35419 50.24316 -1 1 0
+ 931 284 13 -0.834 37.39245 67.88600 56.81733 0 -1 -1
+ 932 284 14 0.417 38.13326 41.09044 56.62787 0 0 -1
+ 933 284 14 0.417 37.74351 67.00148 56.71419 0 -1 -1
+ 934 285 13 -0.834 42.83234 60.22766 53.36959 0 0 0
+ 935 285 14 0.417 43.51497 59.86233 52.80672 0 0 0
+ 936 285 14 0.417 43.27782 60.90528 53.87815 0 0 0
+ 937 286 13 -0.834 59.24806 43.81265 38.44265 1 0 0
+ 938 286 14 0.417 59.12140 43.55748 39.35647 1 0 0
+ 939 286 14 0.417 60.07673 44.29174 38.43991 1 0 0
+ 940 287 13 -0.834 61.29263 60.52642 52.74164 -1 1 -1
+ 941 287 14 0.417 61.73918 60.02180 53.42149 -1 1 -1
+ 942 287 14 0.417 60.93759 61.28711 53.20156 -1 1 -1
+ 943 288 13 -0.834 63.43980 43.30119 30.90384 -1 1 0
+ 944 288 14 0.417 63.34979 42.36405 30.73085 -1 1 0
+ 945 288 14 0.417 64.20504 43.56693 30.39393 -1 1 0
+ 946 289 13 -0.834 57.11924 59.06522 54.48909 -1 0 0
+ 947 289 14 0.417 57.40605 59.83488 54.98062 -1 0 0
+ 948 289 14 0.417 57.59698 58.33614 54.88463 -1 0 0
+ 949 290 13 -0.834 51.89759 59.82680 44.82923 1 1 -1
+ 950 290 14 0.417 51.33588 59.94068 44.06258 1 1 -1
+ 951 290 14 0.417 51.32846 60.01914 45.57443 1 1 -1
+ 952 291 13 -0.834 57.64696 65.49112 47.86068 -1 0 0
+ 953 291 14 0.417 57.31105 65.98457 48.60895 -1 0 0
+ 954 291 14 0.417 57.73765 64.59519 48.18521 -1 0 0
+ 955 292 13 -0.834 50.35232 57.73892 32.55459 0 1 0
+ 956 292 14 0.417 51.07441 57.69034 31.92813 0 1 0
+ 957 292 14 0.417 50.48339 58.57180 33.00777 0 1 0
+ 958 293 13 -0.834 46.20166 60.82812 38.38269 0 1 1
+ 959 293 14 0.417 46.12191 61.76977 38.53504 0 1 1
+ 960 293 14 0.417 45.30555 60.53505 38.21735 0 1 1
+ 961 294 13 -0.834 41.42660 51.46433 55.94150 1 0 -1
+ 962 294 14 0.417 40.58025 51.71240 55.56944 1 0 -1
+ 963 294 14 0.417 41.63094 50.62307 55.53311 1 0 -1
+ 964 295 13 -0.834 56.72642 53.95840 32.00323 0 -1 0
+ 965 295 14 0.417 57.12177 54.49254 32.69216 0 -1 0
+ 966 295 14 0.417 55.80349 54.21231 32.00259 0 -1 0
+ 967 296 13 -0.834 43.25852 41.40642 31.27656 0 1 0
+ 968 296 14 0.417 43.58058 42.21308 31.67880 0 1 0
+ 969 296 14 0.417 43.16985 68.16459 32.00619 0 0 0
+ 970 297 13 -0.834 54.50477 52.62435 30.30235 -2 1 0
+ 971 297 14 0.417 54.04985 52.22243 31.04245 -2 1 0
+ 972 297 14 0.417 54.36900 53.56465 30.41915 -2 1 0
+ 973 298 13 -0.834 38.11258 59.33341 36.21749 1 0 0
+ 974 298 14 0.417 38.95754 58.91929 36.04205 1 0 0
+ 975 298 14 0.417 38.14750 60.16192 35.73940 1 0 0
+ 976 299 13 -0.834 39.65020 64.70254 40.48616 -1 0 1
+ 977 299 14 0.417 39.87581 65.58596 40.19474 -1 0 1
+ 978 299 14 0.417 39.66086 64.17611 39.68676 -1 0 1
+ 979 300 13 -0.834 63.26661 53.84973 48.10281 -1 1 1
+ 980 300 14 0.417 63.38261 54.75210 48.40032 -1 1 1
+ 981 300 14 0.417 62.32830 53.68505 48.19603 -1 1 1
+ 982 301 13 -0.834 43.65966 61.04202 50.03088 0 0 0
+ 983 301 14 0.417 44.11377 60.35973 50.52538 0 0 0
+ 984 301 14 0.417 44.30508 61.74317 49.94108 0 0 0
+ 985 302 13 -0.834 61.75204 50.20037 32.39414 0 0 0
+ 986 302 14 0.417 62.04749 51.09027 32.58663 0 0 0
+ 987 302 14 0.417 62.55370 49.67736 32.38826 0 0 0
+ 988 303 13 -0.834 53.79071 58.98335 36.25336 -1 -2 -1
+ 989 303 14 0.417 53.17711 58.26833 36.42220 -1 -2 -1
+ 990 303 14 0.417 54.65389 58.60140 36.41235 -1 -2 -1
+ 991 304 13 -0.834 50.47963 50.13918 42.58243 1 -1 -2
+ 992 304 14 0.417 51.28111 49.63880 42.42915 1 -1 -2
+ 993 304 14 0.417 50.33279 50.61369 41.76419 1 -1 -2
+ 994 305 13 -0.834 50.28770 49.02182 56.79391 1 -1 -2
+ 995 305 14 0.417 50.66164 48.14920 56.91622 1 -1 -2
+ 996 305 14 0.417 50.60501 49.30063 55.93493 1 -1 -2
+ 997 306 13 -0.834 41.36930 46.36343 34.87469 1 1 0
+ 998 306 14 0.417 42.25704 46.59841 34.60463 1 1 0
+ 999 306 14 0.417 40.85961 47.16333 34.74582 1 1 0
+ 1000 307 13 -0.834 61.15349 47.47016 41.71779 0 1 0
+ 1001 307 14 0.417 61.50139 48.29469 41.37818 0 1 0
+ 1002 307 14 0.417 60.28203 47.69385 42.04454 0 1 0
+ 1003 308 13 -0.834 58.35337 46.83622 34.81712 0 0 1
+ 1004 308 14 0.417 57.63221 46.22391 34.67141 0 0 1
+ 1005 308 14 0.417 57.97297 47.69883 34.65146 0 0 1
+ 1006 309 13 -0.834 38.79812 57.92803 48.26323 1 -2 -1
+ 1007 309 14 0.417 38.67444 56.98130 48.33141 1 -2 -1
+ 1008 309 14 0.417 39.70990 58.06987 48.51776 1 -2 -1
+ 1009 310 13 -0.834 42.15963 57.96891 45.03230 1 0 0
+ 1010 310 14 0.417 42.11698 57.98663 45.98839 1 0 0
+ 1011 310 14 0.417 41.83611 57.10021 44.79371 1 0 0
+ 1012 311 13 -0.834 55.17551 54.72671 36.49400 0 -1 0
+ 1013 311 14 0.417 55.26386 53.77738 36.57890 0 -1 0
+ 1014 311 14 0.417 55.36463 55.06457 37.36939 0 -1 0
+ 1015 312 13 -0.834 58.64573 63.28550 41.10609 -1 -2 -1
+ 1016 312 14 0.417 58.98147 62.66636 41.75429 -1 -2 -1
+ 1017 312 14 0.417 57.90273 62.83419 40.70545 -1 -2 -1
+ 1018 313 13 -0.834 49.96498 59.98797 42.54359 0 -1 0
+ 1019 313 14 0.417 50.57886 60.48612 42.00390 0 -1 0
+ 1020 313 14 0.417 49.10600 60.17526 42.16501 0 -1 0
+ 1021 314 13 -0.834 57.54750 44.35075 52.12722 -1 -1 -1
+ 1022 314 14 0.417 57.86221 43.84739 51.37633 -1 -1 -1
+ 1023 314 14 0.417 56.76423 44.79718 51.80558 -1 -1 -1
+ 1024 315 13 -0.834 58.07892 59.46258 41.31930 1 -1 0
+ 1025 315 14 0.417 58.27344 60.10968 41.99729 1 -1 0
+ 1026 315 14 0.417 57.80524 59.98199 40.56328 1 -1 0
+ 1027 316 13 -0.834 42.21869 44.49848 55.65511 2 1 0
+ 1028 316 14 0.417 42.77458 44.78017 56.38166 2 1 0
+ 1029 316 14 0.417 42.83052 44.15513 55.00395 2 1 0
+ 1030 317 13 -0.834 56.38334 63.45614 43.52622 -1 -1 0
+ 1031 317 14 0.417 55.66283 63.62998 42.92052 -1 -1 0
+ 1032 317 14 0.417 56.48976 64.27319 44.01338 -1 -1 0
+ 1033 318 13 -0.834 43.21354 46.04700 52.52965 1 1 0
+ 1034 318 14 0.417 43.24360 45.09879 52.40226 1 1 0
+ 1035 318 14 0.417 43.99839 46.37328 52.08943 1 1 0
+ 1036 319 13 -0.834 55.96174 45.94863 35.39660 -1 0 1
+ 1037 319 14 0.417 55.64687 46.44680 36.15088 -1 0 1
+ 1038 319 14 0.417 55.28305 46.06527 34.73174 -1 0 1
+ 1039 320 13 -0.834 47.36406 54.82690 34.84439 -1 -1 2
+ 1040 320 14 0.417 47.90093 54.86776 34.05295 -1 -1 2
+ 1041 320 14 0.417 47.23152 53.89118 34.99640 -1 -1 2
+ 1042 321 13 -0.834 49.62685 50.00229 45.27362 1 0 -2
+ 1043 321 14 0.417 49.70876 49.05477 45.38192 1 0 -2
+ 1044 321 14 0.417 49.82566 50.15634 44.35005 1 0 -2
+ 1045 322 13 -0.834 49.58249 46.02940 55.43310 -1 0 -2
+ 1046 322 14 0.417 49.10378 46.80060 55.12924 -1 0 -2
+ 1047 322 14 0.417 49.31802 45.92761 56.34739 -1 0 -2
+ 1048 323 13 -0.834 51.72150 51.53491 51.55558 0 -1 -1
+ 1049 323 14 0.417 51.50292 52.17946 50.88251 0 -1 -1
+ 1050 323 14 0.417 52.14568 52.04382 52.24646 0 -1 -1
+ 1051 324 13 -0.834 37.98107 56.66338 52.98024 0 1 0
+ 1052 324 14 0.417 37.64467 57.53823 52.78607 0 1 0
+ 1053 324 14 0.417 38.15999 56.27913 52.12200 0 1 0
+ 1054 325 13 -0.834 59.20226 51.55233 53.16877 -1 1 0
+ 1055 325 14 0.417 59.68851 51.88535 53.92302 -1 1 0
+ 1056 325 14 0.417 58.63621 50.87031 53.53025 -1 1 0
+ 1057 326 13 -0.834 45.75783 63.62117 39.24032 1 1 -1
+ 1058 326 14 0.417 46.25179 64.38626 39.53508 1 1 -1
+ 1059 326 14 0.417 44.85376 63.80686 39.49409 1 1 -1
+ 1060 327 13 -0.834 58.00953 52.38584 37.67148 -1 1 1
+ 1061 327 14 0.417 58.24242 51.47235 37.50553 -1 1 1
+ 1062 327 14 0.417 57.26453 52.33853 38.27062 -1 1 1
+ 1063 328 13 -0.834 50.62838 66.20855 42.36072 0 0 -1
+ 1064 328 14 0.417 51.45434 66.68250 42.45770 0 0 -1
+ 1065 328 14 0.417 49.99531 66.87945 42.10506 0 0 -1
+ 1066 329 13 -0.834 53.69444 52.39171 45.41982 1 0 0
+ 1067 329 14 0.417 53.84961 51.45739 45.55855 1 0 0
+ 1068 329 14 0.417 52.75879 52.45359 45.22750 1 0 0
+ 1069 330 13 -0.834 38.34038 60.92162 30.12773 2 0 0
+ 1070 330 14 0.417 39.08908 61.47644 29.90887 2 0 0
+ 1071 330 14 0.417 38.64185 60.39196 30.86585 2 0 0
+ 1072 331 13 -0.834 48.03336 64.84935 43.13262 -1 0 -2
+ 1073 331 14 0.417 48.90813 65.00919 43.48682 -1 0 -2
+ 1074 331 14 0.417 47.46214 65.43367 43.63114 -1 0 -2
+ 1075 332 13 -0.834 39.68760 66.88962 36.60665 2 0 0
+ 1076 332 14 0.417 38.74743 66.72116 36.66944 2 0 0
+ 1077 332 14 0.417 40.05009 66.08888 36.22764 2 0 0
+ 1078 333 13 -0.834 51.94118 65.49897 51.83197 0 -1 -2
+ 1079 333 14 0.417 52.71282 65.06165 51.47204 0 -1 -2
+ 1080 333 14 0.417 51.22446 64.88225 51.68297 0 -1 -2
+ 1081 334 13 -0.834 43.33066 57.53264 55.09930 -1 0 -2
+ 1082 334 14 0.417 43.05496 56.76932 54.59178 -1 0 -2
+ 1083 334 14 0.417 44.28179 57.55937 54.99503 -1 0 -2
+ 1084 335 13 -0.834 47.70128 45.69178 52.17773 -1 3 -1
+ 1085 335 14 0.417 47.54566 44.86273 52.63016 -1 3 -1
+ 1086 335 14 0.417 48.58530 45.94693 52.44163 -1 3 -1
+ 1087 336 13 -0.834 58.71603 41.81571 40.73899 -1 0 0
+ 1088 336 14 0.417 57.77048 41.84330 40.88539 -1 0 0
+ 1089 336 14 0.417 58.81275 41.43332 39.86682 -1 0 0
+ 1090 337 13 -0.834 57.56034 60.98533 43.60766 0 -1 0
+ 1091 337 14 0.417 56.67639 60.61816 43.59917 0 -1 0
+ 1092 337 14 0.417 57.42830 61.92611 43.72486 0 -1 0
+ 1093 338 13 -0.834 44.68088 65.08579 34.27880 -1 0 2
+ 1094 338 14 0.417 45.54678 65.09564 34.68668 -1 0 2
+ 1095 338 14 0.417 44.45037 64.15818 34.22739 -1 0 2
+ 1096 339 13 -0.834 54.98236 48.04093 42.26075 0 0 0
+ 1097 339 14 0.417 55.16505 47.86552 43.18384 0 0 0
+ 1098 339 14 0.417 55.70493 48.59999 41.97513 0 0 0
+ 1099 340 13 -0.834 60.57099 56.88773 56.53671 0 0 1
+ 1100 340 14 0.417 60.67151 56.21616 29.83998 0 0 2
+ 1101 340 14 0.417 61.34465 56.78824 55.98192 0 0 1
+ 1102 341 13 -0.834 48.05045 49.69974 47.93542 -1 0 0
+ 1103 341 14 0.417 48.70922 49.23613 48.45249 -1 0 0
+ 1104 341 14 0.417 48.26410 49.48583 47.02721 -1 0 0
+ 1105 342 13 -0.834 40.63207 55.77589 49.21695 1 0 -1
+ 1106 342 14 0.417 40.84917 56.26844 50.00847 1 0 -1
+ 1107 342 14 0.417 41.40772 55.85904 48.66226 1 0 -1
+ 1108 343 13 -0.834 61.66015 42.71355 39.91223 0 0 0
+ 1109 343 14 0.417 61.87748 41.86774 40.30419 0 0 0
+ 1110 343 14 0.417 61.98864 42.65380 39.01514 0 0 0
+ 1111 344 13 -0.834 38.52157 65.12766 57.04010 0 -1 -1
+ 1112 344 14 0.417 38.04157 64.32142 56.85084 0 -1 -1
+ 1113 344 14 0.417 39.36310 65.01535 56.59799 0 -1 -1
+ 1114 345 13 -0.834 54.26556 44.72348 38.61852 -1 0 0
+ 1115 345 14 0.417 54.65781 45.53245 38.94708 -1 0 0
+ 1116 345 14 0.417 54.97105 44.29396 38.13473 -1 0 0
+ 1117 346 13 -0.834 55.38993 55.61246 43.96322 -1 0 1
+ 1118 346 14 0.417 54.74535 54.99107 43.62461 -1 0 1
+ 1119 346 14 0.417 55.11835 55.77119 44.86726 -1 0 1
+ 1120 347 13 -0.834 56.42023 55.00369 50.06211 -1 -1 0
+ 1121 347 14 0.417 55.77599 55.59187 50.45611 -1 -1 0
+ 1122 347 14 0.417 56.93756 54.68448 50.80151 -1 -1 0
+ 1123 348 13 -0.834 45.79495 66.88952 36.56670 1 1 -1
+ 1124 348 14 0.417 45.28578 66.71904 35.77429 1 1 -1
+ 1125 348 14 0.417 46.57709 67.34552 36.25591 1 1 -1
+ 1126 349 13 -0.834 62.75278 45.54084 32.23733 0 0 0
+ 1127 349 14 0.417 62.61586 44.79986 31.64705 0 0 0
+ 1128 349 14 0.417 62.96974 45.14017 33.07913 0 0 0
+ 1129 350 13 -0.834 57.50625 65.62986 39.74454 0 0 0
+ 1130 350 14 0.417 57.73342 64.85584 40.25983 0 0 0
+ 1131 350 14 0.417 57.07082 66.21286 40.36642 0 0 0
+ 1132 351 13 -0.834 55.96293 62.10636 50.17062 0 1 -1
+ 1133 351 14 0.417 56.24333 61.70901 50.99507 0 1 -1
+ 1134 351 14 0.417 56.67888 62.69531 49.93234 0 1 -1
+ 1135 352 13 -0.834 37.45010 41.11856 53.00894 0 0 0
+ 1136 352 14 0.417 37.99062 41.49514 53.70339 0 0 0
+ 1137 352 14 0.417 37.83337 41.45341 52.19826 0 0 0
+ 1138 353 13 -0.834 40.59344 47.85232 38.52244 1 0 1
+ 1139 353 14 0.417 41.31256 47.71502 37.90580 1 0 1
+ 1140 353 14 0.417 40.21612 48.69426 38.26747 1 0 1
+ 1141 354 13 -0.834 60.77214 62.31711 30.33695 0 2 -1
+ 1142 354 14 0.417 59.83662 62.43212 30.17023 0 2 -1
+ 1143 354 14 0.417 60.97856 61.45964 29.96496 0 2 -1
+ 1144 355 13 -0.834 47.83829 64.26042 48.43592 0 1 -1
+ 1145 355 14 0.417 47.12209 64.85952 48.22523 0 1 -1
+ 1146 355 14 0.417 47.44823 63.38856 48.37295 0 1 -1
+ 1147 356 13 -0.834 38.69679 45.31108 42.13672 1 1 0
+ 1148 356 14 0.417 39.20464 45.52138 41.35308 1 1 0
+ 1149 356 14 0.417 37.90440 44.89009 41.80335 1 1 0
+ 1150 357 13 -0.834 38.90832 47.67164 52.69089 0 1 0
+ 1151 357 14 0.417 39.51269 48.14149 53.26554 0 1 0
+ 1152 357 14 0.417 38.42834 48.36117 52.23218 0 1 0
+ 1153 358 13 -0.834 45.13879 48.98199 29.96256 0 2 1
+ 1154 358 14 0.417 44.63649 48.48457 30.60794 0 2 1
+ 1155 358 14 0.417 44.70163 48.80464 56.50106 0 2 0
+ 1156 359 13 -0.834 54.78460 57.58368 54.24956 1 1 -1
+ 1157 359 14 0.417 54.71436 57.34891 55.17486 1 1 -1
+ 1158 359 14 0.417 55.60599 58.07122 54.18735 1 1 -1
+ 1159 360 13 -0.834 40.77006 67.09387 46.34204 0 0 1
+ 1160 360 14 0.417 40.91087 66.51539 47.09156 0 0 1
+ 1161 360 14 0.417 41.47386 67.73986 46.40192 0 0 1
+ 1162 361 13 -0.834 53.75960 49.21723 54.03526 1 0 -1
+ 1163 361 14 0.417 54.17778 50.07537 53.96484 1 0 -1
+ 1164 361 14 0.417 54.18187 48.68822 53.35846 1 0 -1
+ 1165 362 13 -0.834 46.41755 62.84035 30.52059 0 0 1
+ 1166 362 14 0.417 46.37357 61.90548 30.72136 0 0 1
+ 1167 362 14 0.417 46.76359 62.87829 57.00030 0 0 0
+ 1168 363 13 -0.834 51.27491 42.28113 30.83818 0 -1 0
+ 1169 363 14 0.417 51.18814 42.11416 31.77671 0 -1 0
+ 1170 363 14 0.417 50.41560 42.60836 30.57220 0 -1 0
+ 1171 364 13 -0.834 52.36258 42.54738 46.83477 0 -1 -1
+ 1172 364 14 0.417 51.62853 42.02025 46.51928 0 -1 -1
+ 1173 364 14 0.417 53.11771 42.22680 46.34158 0 -1 -1
+ 1174 365 13 -0.834 40.11442 46.69570 48.71466 3 -2 1
+ 1175 365 14 0.417 39.89820 47.61495 48.55824 3 -2 1
+ 1176 365 14 0.417 40.87520 46.72352 49.29493 3 -2 1
+ 1177 366 13 -0.834 56.56957 65.78976 45.32589 0 -2 -1
+ 1178 366 14 0.417 56.86196 65.56407 46.20896 0 -2 -1
+ 1179 366 14 0.417 57.34222 66.16870 44.90678 0 -2 -1
+ 1180 367 13 -0.834 38.37373 47.63723 43.98242 2 0 0
+ 1181 367 14 0.417 38.78516 47.21384 44.73589 2 0 0
+ 1182 367 14 0.417 38.73588 47.18051 43.22315 2 0 0
+ 1183 368 13 -0.834 45.69445 49.36872 40.50736 -1 0 -2
+ 1184 368 14 0.417 44.73771 49.39892 40.51002 -1 0 -2
+ 1185 368 14 0.417 45.90701 48.47357 40.77155 -1 0 -2
+ 1186 369 13 -0.834 53.93830 54.76570 31.99728 0 -1 0
+ 1187 369 14 0.417 53.94849 55.50033 32.61083 0 -1 0
+ 1188 369 14 0.417 53.13070 54.29402 32.20107 0 -1 0
+ 1189 370 13 -0.834 58.79125 64.07093 37.97498 -1 -1 -2
+ 1190 370 14 0.417 58.48296 64.72380 38.60343 -1 -1 -2
+ 1191 370 14 0.417 58.20942 64.16977 37.22136 -1 -1 -2
+ 1192 371 13 -0.834 51.76123 61.42281 40.82794 0 -1 0
+ 1193 371 14 0.417 52.69114 61.24136 40.69160 0 -1 0
+ 1194 371 14 0.417 51.74755 62.21395 41.36660 0 -1 0
+ 1195 372 13 -0.834 44.28377 63.70509 53.71234 -1 -2 -1
+ 1196 372 14 0.417 44.98211 64.35001 53.59994 -1 -2 -1
+ 1197 372 14 0.417 43.75271 63.78587 52.92008 -1 -2 -1
+ 1198 373 13 -0.834 61.50835 48.76378 34.91047 0 0 -1
+ 1199 373 14 0.417 61.23254 49.09753 34.05678 0 0 -1
+ 1200 373 14 0.417 61.51672 49.53447 35.47812 0 0 -1
+ 1201 374 13 -0.834 61.51337 41.63477 44.26291 -1 -1 0
+ 1202 374 14 0.417 62.42662 41.58544 44.54543 -1 -1 0
+ 1203 374 14 0.417 61.34749 68.16405 43.83907 -1 -2 0
+ 1204 375 13 -0.834 57.73267 43.39213 33.64792 0 -1 0
+ 1205 375 14 0.417 58.46456 43.28438 34.25535 0 -1 0
+ 1206 375 14 0.417 58.09278 43.15396 32.79362 0 -1 0
+ 1207 376 13 -0.834 63.51473 49.31549 51.59705 -1 1 -1
+ 1208 376 14 0.417 63.13045 49.03534 50.76631 -1 1 -1
+ 1209 376 14 0.417 62.84038 49.86142 52.00137 -1 1 -1
+ 1210 377 13 -0.834 58.21462 44.79010 54.73553 -1 -1 -1
+ 1211 377 14 0.417 58.08068 43.94884 55.17209 -1 -1 -1
+ 1212 377 14 0.417 57.81645 44.67856 53.87224 -1 -1 -1
+ 1213 378 13 -0.834 57.08090 55.14561 52.86183 0 -2 1
+ 1214 378 14 0.417 57.05215 55.46811 53.76261 0 -2 1
+ 1215 378 14 0.417 57.69965 54.41575 52.88786 0 -2 1
+ 1216 379 13 -0.834 60.83502 54.45436 45.82182 1 0 -1
+ 1217 379 14 0.417 61.05342 55.38616 45.83857 1 0 -1
+ 1218 379 14 0.417 60.79443 54.20077 46.74392 1 0 -1
+ 1219 380 13 -0.834 60.86442 48.23162 37.95658 0 0 2
+ 1220 380 14 0.417 61.77710 48.43881 37.75572 0 0 2
+ 1221 380 14 0.417 60.87611 47.30540 38.19788 0 0 2
+ 1222 381 13 -0.834 43.21478 43.26953 44.97859 2 1 -1
+ 1223 381 14 0.417 42.50778 42.78849 44.54850 2 1 -1
+ 1224 381 14 0.417 43.42173 42.74895 45.75474 2 1 -1
+ 1225 382 13 -0.834 39.01904 49.57571 48.28198 1 -1 -1
+ 1226 382 14 0.417 38.68877 49.32064 47.42052 1 -1 -1
+ 1227 382 14 0.417 38.42357 50.26661 48.57234 1 -1 -1
+ 1228 383 13 -0.834 47.20253 45.34580 30.26781 0 0 1
+ 1229 383 14 0.417 47.05738 44.40526 30.16508 0 0 1
+ 1230 383 14 0.417 46.80592 45.73631 56.86044 0 0 0
+ 1231 384 13 -0.834 44.57742 55.88746 33.53830 0 -1 0
+ 1232 384 14 0.417 45.13093 56.49768 33.05096 0 -1 0
+ 1233 384 14 0.417 44.41092 55.17196 32.92464 0 -1 0
+ 1234 385 13 -0.834 42.17091 64.36626 51.74369 1 0 0
+ 1235 385 14 0.417 41.78583 65.24128 51.69570 1 0 0
+ 1236 385 14 0.417 41.41926 63.77568 51.79343 1 0 0
+ 1237 386 13 -0.834 43.82615 43.47821 52.97551 0 0 0
+ 1238 386 14 0.417 43.64099 42.56407 52.76025 0 0 0
+ 1239 386 14 0.417 44.58924 43.43914 53.55207 0 0 0
+ 1240 387 13 -0.834 63.58286 63.91035 38.47173 0 -1 -1
+ 1241 387 14 0.417 64.14591 63.71296 39.22023 0 -1 -1
+ 1242 387 14 0.417 62.70901 64.01191 38.84896 0 -1 -1
+ 1243 388 13 -0.834 57.85225 42.19019 46.82252 1 1 -2
+ 1244 388 14 0.417 57.61712 42.29475 47.74450 1 1 -2
+ 1245 388 14 0.417 57.29406 42.81537 46.36013 1 1 -2
+ 1246 389 13 -0.834 57.90802 64.30101 52.26362 1 0 1
+ 1247 389 14 0.417 58.43907 64.81717 52.87010 1 0 1
+ 1248 389 14 0.417 58.54387 63.78888 51.76396 1 0 1
+ 1249 390 13 -0.834 53.18379 66.68791 54.05156 1 -2 0
+ 1250 390 14 0.417 52.23394 66.79510 54.00115 1 -2 0
+ 1251 390 14 0.417 53.33447 65.77140 53.82015 1 -2 0
+ 1252 391 13 -0.834 56.95394 68.26036 36.42711 -1 1 1
+ 1253 391 14 0.417 56.91362 41.83232 36.58445 -1 2 1
+ 1254 391 14 0.417 57.79173 67.98998 36.80292 -1 1 1
+ 1255 392 13 -0.834 64.19252 44.20158 54.88143 0 0 0
+ 1256 392 14 0.417 64.09322 45.07899 54.51194 0 0 0
+ 1257 392 14 0.417 63.39239 43.74201 54.62684 0 0 0
+ 1258 393 13 -0.834 63.10536 65.42626 48.53464 0 0 0
+ 1259 393 14 0.417 62.79665 64.63036 48.10166 0 0 0
+ 1260 393 14 0.417 62.77768 65.35429 49.43112 0 0 0
+ 1261 394 13 -0.834 49.28836 66.20367 32.27628 1 -1 0
+ 1262 394 14 0.417 49.46858 65.88738 33.16155 1 -1 0
+ 1263 394 14 0.417 49.29197 65.41476 31.73420 1 -1 0
+ 1264 395 13 -0.834 46.11216 66.09570 44.77896 0 -1 0
+ 1265 395 14 0.417 45.90309 66.07762 45.71287 0 -1 0
+ 1266 395 14 0.417 45.36137 65.67813 44.35683 0 -1 0
+ 1267 396 13 -0.834 41.43943 50.30026 52.32584 1 0 0
+ 1268 396 14 0.417 41.39866 49.93140 51.44351 1 0 0
+ 1269 396 14 0.417 40.92759 49.69528 52.86275 1 0 0
+ 1270 397 13 -0.834 54.69177 57.80859 32.50623 0 -1 -1
+ 1271 397 14 0.417 53.99890 57.66594 31.86139 0 -1 -1
+ 1272 397 14 0.417 54.37599 57.37325 33.29806 0 -1 -1
+ 1273 398 13 -0.834 43.56781 46.79065 37.17838 0 1 0
+ 1274 398 14 0.417 43.18325 46.24795 36.49004 0 1 0
+ 1275 398 14 0.417 44.03819 46.17194 37.73711 0 1 0
+ 1276 399 13 -0.834 55.33436 45.90772 50.69068 -1 0 0
+ 1277 399 14 0.417 55.55455 46.77982 51.01809 -1 0 0
+ 1278 399 14 0.417 55.09425 46.04877 49.77488 -1 0 0
+ 1279 400 13 -0.834 56.15383 51.87018 43.92178 -1 0 1
+ 1280 400 14 0.417 55.25073 52.12373 44.11256 -1 0 1
+ 1281 400 14 0.417 56.65027 52.68628 43.98319 -1 0 1
+ 1282 401 13 -0.834 62.38946 50.01240 45.94802 0 1 -2
+ 1283 401 14 0.417 62.43815 50.07607 44.99418 0 1 -2
+ 1284 401 14 0.417 61.47369 50.19932 46.15457 0 1 -2
+ 1285 402 13 -0.834 53.60920 58.35575 46.37412 0 0 1
+ 1286 402 14 0.417 53.25556 59.03071 45.79481 0 0 1
+ 1287 402 14 0.417 53.24753 57.53627 46.03666 0 0 1
+ 1288 403 13 -0.834 43.13375 42.07203 50.04429 1 0 0
+ 1289 403 14 0.417 43.76099 42.76922 49.85267 1 0 0
+ 1290 403 14 0.417 42.35437 42.53016 50.35879 1 0 0
+ 1291 404 13 -0.834 47.41498 59.41146 52.77687 -1 -1 0
+ 1292 404 14 0.417 47.81303 59.83868 53.53534 -1 -1 0
+ 1293 404 14 0.417 48.01011 59.60512 52.05261 -1 -1 0
+ 1294 405 13 -0.834 63.75607 47.28104 38.80571 0 2 -1
+ 1295 405 14 0.417 63.78573 48.20840 38.57042 0 2 -1
+ 1296 405 14 0.417 37.08655 47.17376 39.44769 1 2 -1
+ 1297 406 13 -0.834 46.67594 56.20863 44.42866 1 1 0
+ 1298 406 14 0.417 45.82140 56.15280 44.00100 1 1 0
+ 1299 406 14 0.417 46.48292 56.12468 45.36243 1 1 0
+ 1300 407 13 -0.834 62.54251 68.21194 54.20445 0 -1 1
+ 1301 407 14 0.417 63.31640 41.15490 53.73696 0 0 1
+ 1302 407 14 0.417 62.78865 67.34176 54.51819 0 -1 1
+ 1303 408 13 -0.834 60.27010 54.96049 39.87633 0 0 0
+ 1304 408 14 0.417 59.62959 55.67175 39.88547 0 0 0
+ 1305 408 14 0.417 61.04761 55.33233 40.29281 0 0 0
+ 1306 409 13 -0.834 40.02595 44.30132 44.29580 0 -2 0
+ 1307 409 14 0.417 39.70595 44.75009 45.07839 0 -2 0
+ 1308 409 14 0.417 39.56836 44.72725 43.57092 0 -2 0
+ 1309 410 13 -0.834 54.20011 41.08252 35.61017 0 1 0
+ 1310 410 14 0.417 55.10396 68.23613 35.83794 0 0 0
+ 1311 410 14 0.417 54.27044 41.57221 34.79072 0 1 0
+ 1312 411 13 -0.834 60.64478 45.93023 50.84376 1 1 -1
+ 1313 411 14 0.417 60.80088 46.54647 51.55941 1 1 -1
+ 1314 411 14 0.417 61.20574 46.24077 50.13303 1 1 -1
+ 1315 412 13 -0.834 44.55137 44.47403 38.16771 1 0 -1
+ 1316 412 14 0.417 45.28189 43.86333 38.26597 1 0 -1
+ 1317 412 14 0.417 43.77025 43.93754 38.30281 1 0 -1
+ 1318 413 13 -0.834 58.08933 62.76987 30.45191 1 -1 0
+ 1319 413 14 0.417 57.64138 63.31997 29.80927 1 -1 0
+ 1320 413 14 0.417 57.43674 62.11708 30.70545 1 -1 0
+ 1321 414 13 -0.834 55.65273 56.71117 38.74877 1 0 1
+ 1322 414 14 0.417 56.53260 56.59636 39.10779 1 0 1
+ 1323 414 14 0.417 55.14964 55.98047 39.10825 1 0 1
+ 1324 415 13 -0.834 55.50009 51.16952 38.77962 0 0 0
+ 1325 415 14 0.417 54.95350 51.23711 37.99672 0 0 0
+ 1326 415 14 0.417 55.53220 50.23190 38.96963 0 0 0
+ 1327 416 13 -0.834 47.64702 52.79911 31.71446 0 -1 0
+ 1328 416 14 0.417 48.52504 53.09556 31.47481 0 -1 0
+ 1329 416 14 0.417 47.06032 53.44853 31.32681 0 -1 0
+ 1330 417 13 -0.834 49.26727 42.35880 39.18566 1 1 -2
+ 1331 417 14 0.417 50.02784 42.93912 39.15429 1 1 -2
+ 1332 417 14 0.417 49.46495 41.74196 39.89040 1 1 -2
+ 1333 418 13 -0.834 47.22542 64.65021 35.82232 1 -1 0
+ 1334 418 14 0.417 46.76114 65.20346 36.45050 1 -1 0
+ 1335 418 14 0.417 47.98585 65.16966 35.56120 1 -1 0
+ 1336 419 13 -0.834 58.53686 56.85468 40.78587 1 1 0
+ 1337 419 14 0.417 58.45283 56.63469 41.71365 1 1 0
+ 1338 419 14 0.417 58.36285 57.79507 40.74550 1 1 0
+ 1339 420 13 -0.834 50.09436 46.17981 48.16619 -1 -1 -2
+ 1340 420 14 0.417 50.67249 45.42897 48.30138 -1 -1 -2
+ 1341 420 14 0.417 50.49629 46.88624 48.67183 -1 -1 -2
+ 1342 421 13 -0.834 42.30297 57.95379 33.48633 0 -1 1
+ 1343 421 14 0.417 41.56921 57.39445 33.23136 0 -1 1
+ 1344 421 14 0.417 43.00718 57.34235 33.70193 0 -1 1
+ 1345 422 13 -0.834 45.76518 43.79811 54.82490 0 -1 0
+ 1346 422 14 0.417 46.45133 43.55343 54.20397 0 -1 0
+ 1347 422 14 0.417 45.87205 43.18693 55.55379 0 -1 0
+ 1348 423 13 -0.834 59.33326 61.34125 37.96927 -1 -1 1
+ 1349 423 14 0.417 59.29007 62.29004 38.08827 -1 -1 1
+ 1350 423 14 0.417 59.90006 61.03609 38.67769 -1 -1 1
+ 1351 424 13 -0.834 40.95662 63.48104 42.72192 1 -1 0
+ 1352 424 14 0.417 40.33618 63.69074 42.02383 1 -1 0
+ 1353 424 14 0.417 41.73946 63.17568 42.26346 1 -1 0
+ 1354 425 13 -0.834 38.13662 59.25720 46.08402 1 -1 -1
+ 1355 425 14 0.417 38.31499 59.03616 46.99811 1 -1 -1
+ 1356 425 14 0.417 38.55502 58.55783 45.58196 1 -1 -1
+ 1357 426 13 -0.834 48.88681 66.85051 54.82298 1 -2 0
+ 1358 426 14 0.417 49.16879 67.45078 54.13275 1 -2 0
+ 1359 426 14 0.417 49.42353 66.06836 54.69484 1 -2 0
+ 1360 427 13 -0.834 45.88049 57.05477 48.46508 0 0 -1
+ 1361 427 14 0.417 45.73709 57.90911 48.05793 0 0 -1
+ 1362 427 14 0.417 45.83791 57.22701 49.40569 0 0 -1
+ 1363 428 13 -0.834 39.37333 50.31613 37.93447 0 1 0
+ 1364 428 14 0.417 39.11456 50.97624 37.29140 0 1 0
+ 1365 428 14 0.417 38.97424 50.60960 38.75352 0 1 0
+ 1366 429 13 -0.834 37.89753 62.82745 47.39297 0 -1 0
+ 1367 429 14 0.417 38.39122 62.78202 46.57414 0 -1 0
+ 1368 429 14 0.417 37.01605 63.08963 47.12747 0 -1 0
+ 1369 430 13 -0.834 43.16514 41.31420 47.01379 0 1 0
+ 1370 430 14 0.417 42.71409 41.22965 47.85382 0 1 0
+ 1371 430 14 0.417 44.05112 68.36565 47.18386 0 0 0
+ 1372 431 13 -0.834 47.03179 42.44477 42.46475 1 0 0
+ 1373 431 14 0.417 46.12350 42.65285 42.24573 1 0 0
+ 1374 431 14 0.417 47.53228 43.19970 42.15516 1 0 0
+ 1375 432 13 -0.834 55.35894 54.15040 46.85340 0 -1 0
+ 1376 432 14 0.417 54.76544 53.43667 46.61975 0 -1 0
+ 1377 432 14 0.417 56.17133 53.71318 47.10853 0 -1 0
+ 1378 433 13 -0.834 47.00663 55.28313 38.22800 -1 -2 1
+ 1379 433 14 0.417 46.53490 56.00706 38.63987 -1 -2 1
+ 1380 433 14 0.417 47.07459 54.61953 38.91449 -1 -2 1
+ 1381 434 13 -0.834 57.16336 58.62297 32.33349 -1 0 2
+ 1382 434 14 0.417 57.63330 57.80350 32.48798 -1 0 2
+ 1383 434 14 0.417 56.24209 58.36680 32.29014 -1 0 2
+ 1384 435 13 -0.834 37.23245 47.62479 56.34765 0 1 -1
+ 1385 435 14 0.417 37.24274 47.21497 55.48268 0 1 -1
+ 1386 435 14 0.417 37.36000 46.89905 56.95860 0 1 -1
+ 1387 436 13 -0.834 48.77030 41.06015 29.86683 2 1 0
+ 1388 436 14 0.417 48.81141 67.97117 56.39997 2 0 -1
+ 1389 436 14 0.417 49.05230 67.78232 30.51123 2 0 0
+ 1390 437 13 -0.834 49.10149 56.15638 36.66346 0 0 1
+ 1391 437 14 0.417 48.50786 55.61659 36.14146 0 0 1
+ 1392 437 14 0.417 48.61812 56.33305 37.47053 0 0 1
+ 1393 438 13 -0.834 58.15731 59.39698 29.96092 0 -1 1
+ 1394 438 14 0.417 58.20240 59.10993 30.87296 0 -1 1
+ 1395 438 14 0.417 57.30076 59.81721 29.88367 0 -1 1
+ 1396 439 13 -0.834 59.37068 41.03089 37.87324 1 0 0
+ 1397 439 14 0.417 59.56889 41.95335 37.71194 1 0 0
+ 1398 439 14 0.417 60.22643 67.97433 37.90167 1 -1 0
+ 1399 440 13 -0.834 38.32241 55.03397 50.58952 1 0 0
+ 1400 440 14 0.417 38.22793 54.19584 50.13692 1 0 0
+ 1401 440 14 0.417 39.21785 55.31153 50.39614 1 0 0
+ 1402 441 13 -0.834 36.94673 59.01778 33.00159 1 -1 2
+ 1403 441 14 0.417 36.95260 59.97305 32.94091 1 -1 2
+ 1404 441 14 0.417 63.71798 58.82680 33.72245 0 -1 2
+ 1405 442 13 -0.834 62.50746 54.84239 54.03343 0 -1 0
+ 1406 442 14 0.417 61.69710 54.35984 54.19681 0 -1 0
+ 1407 442 14 0.417 63.09119 54.20097 53.62833 0 -1 0
+ 1408 443 13 -0.834 40.59690 62.80012 38.69405 1 -1 1
+ 1409 443 14 0.417 41.53881 62.90970 38.82458 1 -1 1
+ 1410 443 14 0.417 40.36980 62.03187 39.21794 1 -1 1
+ 1411 444 13 -0.834 37.67477 67.71471 42.59127 0 -1 -1
+ 1412 444 14 0.417 38.12213 68.13627 41.85751 0 -1 -1
+ 1413 444 14 0.417 38.28279 67.03643 42.88534 0 -1 -1
+ 1414 445 13 -0.834 42.73681 50.65782 33.30839 1 1 0
+ 1415 445 14 0.417 42.84587 51.15085 34.12157 1 1 0
+ 1416 445 14 0.417 42.32631 51.27747 32.70527 1 1 0
+ 1417 446 13 -0.834 37.13349 57.05842 55.81927 0 0 0
+ 1418 446 14 0.417 37.95375 57.53453 55.68979 0 0 0
+ 1419 446 14 0.417 36.99014 56.59807 54.99236 0 0 0
+ 1420 447 13 -0.834 61.08039 63.50929 36.52096 -1 0 0
+ 1421 447 14 0.417 60.44389 63.87414 37.13579 -1 0 0
+ 1422 447 14 0.417 61.70642 63.04107 37.07331 -1 0 0
+ 1423 448 13 -0.834 57.12289 46.04019 38.75954 0 0 0
+ 1424 448 14 0.417 56.81351 45.55997 39.52760 0 0 0
+ 1425 448 14 0.417 57.99543 45.68504 38.58988 0 0 0
+ 1426 449 13 -0.834 45.45003 49.45347 49.54397 0 0 -1
+ 1427 449 14 0.417 45.96611 49.34591 48.74502 0 0 -1
+ 1428 449 14 0.417 46.09930 49.60861 50.22999 0 0 -1
+ 1429 450 13 -0.834 37.77009 64.51990 42.66941 1 0 0
+ 1430 450 14 0.417 38.49339 64.80040 43.23011 1 0 0
+ 1431 450 14 0.417 38.14071 64.50928 41.78694 1 0 0
+ 1432 451 13 -0.834 45.78323 57.65378 39.37062 1 0 0
+ 1433 451 14 0.417 46.03758 58.03295 40.21190 1 0 0
+ 1434 451 14 0.417 44.96217 58.09258 39.14803 1 0 0
+ 1435 452 13 -0.834 56.96672 60.41636 47.59314 0 -1 1
+ 1436 452 14 0.417 56.18373 60.11455 48.05365 0 -1 1
+ 1437 452 14 0.417 56.65889 61.13663 47.04297 0 -1 1
+ 1438 453 13 -0.834 52.44356 65.82746 35.82081 -1 -1 0
+ 1439 453 14 0.417 53.10567 65.14225 35.91211 -1 -1 0
+ 1440 453 14 0.417 52.93741 66.64611 35.86748 -1 -1 0
+ 1441 454 13 -0.834 50.70912 51.42252 40.30021 0 0 -1
+ 1442 454 14 0.417 50.97387 50.70177 39.72866 0 0 -1
+ 1443 454 14 0.417 50.17774 51.98938 39.74116 0 0 -1
+ 1444 455 13 -0.834 39.22290 45.94023 39.69239 2 1 -1
+ 1445 455 14 0.417 39.63836 46.66722 39.22859 2 1 -1
+ 1446 455 14 0.417 38.97218 45.32685 39.00164 2 1 -1
+ 1447 456 13 -0.834 43.73041 61.86387 55.46954 2 0 0
+ 1448 456 14 0.417 43.61274 62.32163 56.30192 2 0 0
+ 1449 456 14 0.417 43.90401 62.55964 54.83549 2 0 0
+ 1450 457 13 -0.834 61.51877 56.42039 33.84869 0 0 1
+ 1451 457 14 0.417 62.17805 55.74211 33.70200 0 0 1
+ 1452 457 14 0.417 62.00943 57.15723 34.21276 0 0 1
+ 1453 458 13 -0.834 51.72050 63.63199 42.34406 1 0 1
+ 1454 458 14 0.417 51.24482 64.43296 42.56407 1 0 1
+ 1455 458 14 0.417 52.62118 63.92057 42.19669 1 0 1
+ 1456 459 13 -0.834 54.73666 56.51839 51.73687 0 0 -1
+ 1457 459 14 0.417 54.77503 56.56844 52.69200 0 0 -1
+ 1458 459 14 0.417 54.91702 57.41111 51.44234 0 0 -1
+ 1459 460 13 -0.834 50.97984 54.35591 33.27919 0 1 0
+ 1460 460 14 0.417 50.47200 55.12727 33.02747 0 1 0
+ 1461 460 14 0.417 50.36917 53.82187 33.78725 0 1 0
+ 1462 461 13 -0.834 44.82656 54.45280 36.09973 1 0 2
+ 1463 461 14 0.417 45.75766 54.23599 36.14740 1 0 2
+ 1464 461 14 0.417 44.76968 55.11700 35.41283 1 0 2
+ 1465 462 13 -0.834 58.05791 56.64716 55.29041 1 1 0
+ 1466 462 14 0.417 58.98499 56.81997 55.45441 1 1 0
+ 1467 462 14 0.417 57.82639 55.96338 55.91897 1 1 0
+ 1468 463 13 -0.834 55.95112 61.02029 30.79757 1 0 1
+ 1469 463 14 0.417 55.28483 61.63344 30.48711 1 0 1
+ 1470 463 14 0.417 55.45357 60.27206 31.12748 1 0 1
+ 1471 464 13 -0.834 54.80996 46.88659 45.41700 -1 0 0
+ 1472 464 14 0.417 55.42348 46.16300 45.28950 -1 0 0
+ 1473 464 14 0.417 54.08129 46.68997 44.82826 -1 0 0
+ 1474 465 13 -0.834 60.19361 64.43268 31.92053 0 -1 2
+ 1475 465 14 0.417 60.05792 63.85315 32.67017 0 -1 2
+ 1476 465 14 0.417 60.47170 63.84993 31.21392 0 -1 2
+ 1477 466 13 -0.834 45.55496 65.56032 30.88251 0 -1 1
+ 1478 466 14 0.417 45.97644 64.70102 30.89691 0 -1 1
+ 1479 466 14 0.417 45.82502 65.97384 31.70248 0 -1 1
+ 1480 467 13 -0.834 52.92714 44.06759 29.88429 0 1 0
+ 1481 467 14 0.417 52.39641 43.38446 30.29405 0 1 0
+ 1482 467 14 0.417 53.79372 43.96686 30.27818 0 1 0
+ 1483 468 13 -0.834 40.71534 55.31247 44.93070 1 0 0
+ 1484 468 14 0.417 39.81994 55.07165 45.16841 1 0 0
+ 1485 468 14 0.417 41.16802 54.47609 44.82218 1 0 0
+ 1486 469 13 -0.834 64.04777 59.80626 42.91634 0 -1 -1
+ 1487 469 14 0.417 37.09051 60.51146 43.41377 1 -1 -1
+ 1488 469 14 0.417 37.01609 59.00291 43.31068 1 -1 -1
+ 1489 470 13 -0.834 57.05030 49.72625 41.88829 -1 1 1
+ 1490 470 14 0.417 56.75150 50.53290 42.30818 -1 1 1
+ 1491 470 14 0.417 57.52176 50.02159 41.10935 -1 1 1
+ 1492 471 13 -0.834 62.59447 67.67898 41.14714 -2 -2 1
+ 1493 471 14 0.417 63.45155 67.57764 41.56112 -2 -2 1
+ 1494 471 14 0.417 61.96974 67.40478 41.81854 -2 -2 1
+ 1495 472 13 -0.834 62.98029 58.34420 35.34278 0 0 1
+ 1496 472 14 0.417 62.45371 58.26151 36.13783 0 0 1
+ 1497 472 14 0.417 63.83636 58.64077 35.65169 0 0 1
+ 1498 473 13 -0.834 63.44584 56.74146 44.14484 0 1 -2
+ 1499 473 14 0.417 64.13590 56.53036 44.77371 0 1 -2
+ 1500 473 14 0.417 62.70665 57.02149 44.68470 0 1 -2
+ 1501 474 13 -0.834 44.05905 56.56929 51.60681 1 0 -1
+ 1502 474 14 0.417 43.57850 56.15764 52.32504 1 0 -1
+ 1503 474 14 0.417 43.90344 55.99747 50.85512 1 0 -1
+ 1504 475 13 -0.834 37.49588 59.31379 39.05252 0 0 0
+ 1505 475 14 0.417 37.07904 58.45297 39.09112 0 0 0
+ 1506 475 14 0.417 37.58867 59.49374 38.11696 0 0 0
+ 1507 476 13 -0.834 54.75747 41.52122 56.48609 -1 1 0
+ 1508 476 14 0.417 54.79987 42.39714 56.86981 -1 1 0
+ 1509 476 14 0.417 54.80582 41.67034 55.54179 -1 1 0
+ 1510 477 13 -0.834 42.91665 58.39379 47.91495 1 0 0
+ 1511 477 14 0.417 43.70923 58.91951 47.80683 1 0 0
+ 1512 477 14 0.417 42.28811 58.98861 48.32409 1 0 0
+ 1513 478 13 -0.834 60.63731 64.78822 56.03697 -2 1 -1
+ 1514 478 14 0.417 60.86485 63.91302 56.35082 -2 1 -1
+ 1515 478 14 0.417 60.50973 65.30321 56.83369 -2 1 -1
+ 1516 479 13 -0.834 52.85180 54.69512 43.09842 0 0 1
+ 1517 479 14 0.417 52.31485 55.13373 42.43846 0 0 1
+ 1518 479 14 0.417 53.08000 53.85428 42.70200 0 0 1
+ 1519 480 13 -0.834 51.49497 54.97356 38.95012 -2 1 -1
+ 1520 480 14 0.417 50.77717 54.34090 38.97811 -2 1 -1
+ 1521 480 14 0.417 51.51597 55.35169 39.82923 -2 1 -1
+ 1522 481 13 -0.834 40.46924 62.02458 56.36341 1 0 -1
+ 1523 481 14 0.417 40.45814 61.65439 55.48076 1 0 -1
+ 1524 481 14 0.417 40.81799 62.90856 56.24853 1 0 -1
+ 1525 482 13 -0.834 52.26692 56.29032 45.24820 0 2 1
+ 1526 482 14 0.417 51.65227 56.79794 44.71834 0 2 1
+ 1527 482 14 0.417 52.43092 55.49973 44.73408 0 2 1
+ 1528 483 13 -0.834 53.46372 44.63556 52.39623 -1 1 1
+ 1529 483 14 0.417 53.51664 45.03502 53.26448 -1 1 1
+ 1530 483 14 0.417 54.08491 45.13343 51.86474 -1 1 1
+ 1531 484 13 -0.834 42.90202 49.87822 40.32919 0 2 1
+ 1532 484 14 0.417 42.40392 49.63281 41.10889 0 2 1
+ 1533 484 14 0.417 42.31302 50.45172 39.83885 0 2 1
+ 1534 485 13 -0.834 43.07357 64.57931 39.44006 2 1 1
+ 1535 485 14 0.417 42.79300 64.80186 38.55237 2 1 1
+ 1536 485 14 0.417 43.26869 65.42268 39.84860 2 1 1
+ 1537 486 13 -0.834 38.86691 42.35197 55.12826 1 1 -1
+ 1538 486 14 0.417 38.06621 42.87541 55.16185 1 1 -1
+ 1539 486 14 0.417 39.52681 42.89488 55.55954 1 1 -1
+ 1540 487 13 -0.834 59.15412 47.19863 55.46904 0 -1 0
+ 1541 487 14 0.417 59.83963 46.99833 56.10636 0 -1 0
+ 1542 487 14 0.417 58.74433 46.35364 55.28381 0 -1 0
+ 1543 488 13 -0.834 52.12071 45.94110 44.23903 1 1 0
+ 1544 488 14 0.417 51.89927 45.05144 44.51416 1 1 0
+ 1545 488 14 0.417 52.26697 45.87115 43.29566 1 1 0
+ 1546 489 13 -0.834 41.73140 52.23741 31.27732 0 0 1
+ 1547 489 14 0.417 40.84403 52.55314 31.44796 0 0 1
+ 1548 489 14 0.417 41.81503 52.26011 30.32405 0 0 1
+ 1549 490 13 -0.834 38.46034 66.01701 52.27886 1 0 -1
+ 1550 490 14 0.417 39.39276 66.02392 52.49517 1 0 -1
+ 1551 490 14 0.417 38.11246 66.80769 52.69121 1 0 -1
+ 1552 491 13 -0.834 42.13838 67.12262 54.88509 0 0 -3
+ 1553 491 14 0.417 42.22460 67.38235 53.96784 0 0 -3
+ 1554 491 14 0.417 42.96673 67.38388 55.28736 0 0 -3
+ 1555 492 13 -0.834 37.89607 66.86351 46.16867 -1 -1 -1
+ 1556 492 14 0.417 38.03129 66.98073 47.10899 -1 -1 -1
+ 1557 492 14 0.417 38.75367 66.60168 45.83369 -1 -1 -1
+ 1558 493 13 -0.834 40.37538 58.21424 30.88318 0 -1 0
+ 1559 493 14 0.417 41.23010 58.63566 30.79307 0 -1 0
+ 1560 493 14 0.417 40.45502 57.40101 30.38463 0 -1 0
+ 1561 494 13 -0.834 54.56531 48.85249 32.17940 1 -2 2
+ 1562 494 14 0.417 54.90082 48.98086 31.29216 1 -2 2
+ 1563 494 14 0.417 54.03604 49.63141 32.35086 1 -2 2
+ 1564 495 13 -0.834 63.56488 49.70113 37.88594 0 -1 1
+ 1565 495 14 0.417 63.93261 49.40780 37.05228 0 -1 1
+ 1566 495 14 0.417 63.98151 50.54765 38.04739 0 -1 1
+ 1567 496 13 -0.834 39.26126 54.76920 54.71493 2 -1 2
+ 1568 496 14 0.417 38.75402 55.21237 54.03483 2 -1 2
+ 1569 496 14 0.417 38.67139 54.73109 55.46781 2 -1 2
+ 1570 497 13 -0.834 42.78607 47.20625 49.30057 2 -1 0
+ 1571 497 14 0.417 42.93670 46.34815 48.90404 2 -1 0
+ 1572 497 14 0.417 43.53800 47.33917 49.87780 2 -1 0
+ 1573 498 13 -0.834 59.99490 55.30114 50.55687 0 1 -1
+ 1574 498 14 0.417 60.84158 55.66821 50.81111 0 1 -1
+ 1575 498 14 0.417 59.38335 56.03363 50.63237 0 1 -1
+ 1576 499 13 -0.834 57.95276 49.30660 54.37087 1 -1 -1
+ 1577 499 14 0.417 57.34184 49.29544 55.10769 1 -1 -1
+ 1578 499 14 0.417 58.55272 48.58151 54.54557 1 -1 -1
+ 1579 500 13 -0.834 43.43041 64.04345 57.10111 1 -1 -1
+ 1580 500 14 0.417 43.03742 64.07155 30.60210 1 -1 0
+ 1581 500 14 0.417 44.26016 64.51104 29.82515 1 -1 0
+ 1582 501 13 -0.834 40.71066 57.82778 50.85579 1 -1 -1
+ 1583 501 14 0.417 41.04411 57.83612 51.75299 1 -1 -1
+ 1584 501 14 0.417 40.96886 58.67633 50.49590 1 -1 -1
+ 1585 502 13 -0.834 61.21331 60.53661 39.63578 1 -1 0
+ 1586 502 14 0.417 61.87151 61.23113 39.61011 1 -1 0
+ 1587 502 14 0.417 61.32085 60.13583 40.49837 1 -1 0
+ 1588 503 13 -0.834 43.54081 65.33296 49.47114 1 -1 -1
+ 1589 503 14 0.417 42.67637 65.41138 49.06762 1 -1 -1
+ 1590 503 14 0.417 43.36562 64.99829 50.35065 1 -1 -1
+ 1591 504 13 -0.834 50.27329 53.06087 30.87109 -1 0 1
+ 1592 504 14 0.417 50.38769 53.42204 29.99204 -1 0 1
+ 1593 504 14 0.417 50.86354 53.57620 31.42092 -1 0 1
+ 1594 505 13 -0.834 40.29157 66.01889 32.67757 0 -1 0
+ 1595 505 14 0.417 40.18198 66.27998 31.76320 0 -1 0
+ 1596 505 14 0.417 39.39873 65.90460 33.00317 0 -1 0
+ 1597 506 13 -0.834 48.15372 67.97019 44.25255 1 -1 1
+ 1598 506 14 0.417 47.34263 67.52534 44.49854 1 -1 1
+ 1599 506 14 0.417 47.87159 41.31478 43.68328 1 0 1
+ 1600 507 13 -0.834 53.38019 63.98437 38.13827 0 0 -1
+ 1601 507 14 0.417 54.19463 63.69976 37.72362 0 0 -1
+ 1602 507 14 0.417 53.59582 64.82739 38.53711 0 0 -1
+ 1603 508 13 -0.834 40.87597 58.12305 53.50808 0 0 0
+ 1604 508 14 0.417 40.17916 58.26636 54.14852 0 0 0
+ 1605 508 14 0.417 41.66044 58.48234 53.92256 0 0 0
+ 1606 509 13 -0.834 38.19887 52.28056 36.30714 2 0 -1
+ 1607 509 14 0.417 38.20463 53.19038 36.60452 2 0 -1
+ 1608 509 14 0.417 38.09924 52.33929 35.35695 2 0 -1
+ 1609 510 13 -0.834 49.63883 57.32410 43.72359 0 -1 0
+ 1610 510 14 0.417 49.72446 58.17232 43.28833 0 -1 0
+ 1611 510 14 0.417 48.76183 57.33851 44.10688 0 -1 0
+ 1612 511 13 -0.834 42.58791 59.61362 29.86455 1 0 0
+ 1613 511 14 0.417 43.07246 58.91969 56.78877 1 0 -1
+ 1614 511 14 0.417 42.69535 60.38141 56.67447 1 0 -1
+ 1615 512 13 -0.834 50.76111 60.95449 46.98165 -1 0 -1
+ 1616 512 14 0.417 50.90477 61.15450 47.90663 -1 0 -1
+ 1617 512 14 0.417 50.20825 61.66875 46.66473 -1 0 -1
+ 1618 513 13 -0.834 43.18406 55.61939 48.08539 1 0 0
+ 1619 513 14 0.417 43.11229 56.55752 47.90932 1 0 0
+ 1620 513 14 0.417 44.01330 55.36231 47.68228 1 0 0
+ 1621 514 13 -0.834 54.67377 64.76817 41.62522 1 0 1
+ 1622 514 14 0.417 54.39407 65.19031 40.81294 1 0 1
+ 1623 514 14 0.417 55.29742 65.38243 42.01250 1 0 1
+ 1624 515 13 -0.834 53.87383 68.12810 51.72031 0 -1 0
+ 1625 515 14 0.417 53.06918 41.24938 51.55887 0 0 0
+ 1626 515 14 0.417 53.74278 67.72971 52.58074 0 -1 0
+ 1627 516 13 -0.834 38.24785 41.26767 33.50598 2 0 0
+ 1628 516 14 0.417 38.16490 67.75301 33.15337 2 -1 0
+ 1629 516 14 0.417 37.95757 41.83753 32.79377 2 0 0
+ 1630 517 13 -0.834 47.35008 61.96125 42.94580 2 -2 0
+ 1631 517 14 0.417 47.46077 62.90828 43.03015 2 -2 0
+ 1632 517 14 0.417 47.09087 61.83022 42.03373 2 -2 0
+ 1633 518 13 -0.834 40.55210 54.00820 41.89137 1 -1 1
+ 1634 518 14 0.417 39.80099 54.24986 41.34946 1 -1 1
+ 1635 518 14 0.417 40.19429 53.40377 42.54166 1 -1 1
+ 1636 519 13 -0.834 57.17705 64.40362 55.44286 1 -1 -1
+ 1637 519 14 0.417 56.34510 64.78670 55.72097 1 -1 -1
+ 1638 519 14 0.417 57.64987 65.12814 55.03330 1 -1 -1
+ 1639 520 13 -0.834 41.86955 59.84132 42.65268 0 -1 1
+ 1640 520 14 0.417 41.72011 59.11980 43.26367 0 -1 1
+ 1641 520 14 0.417 42.24995 60.53605 43.19017 0 -1 1
+ 1642 521 13 -0.834 61.62566 57.26645 46.18447 0 -1 -1
+ 1643 521 14 0.417 60.68119 57.41642 46.22577 0 -1 -1
+ 1644 521 14 0.417 61.98987 57.84356 46.85569 0 -1 -1
+ 1645 522 13 -0.834 46.82701 65.68647 41.03579 0 0 0
+ 1646 522 14 0.417 46.01385 65.85266 41.51264 0 0 0
+ 1647 522 14 0.417 47.44009 65.38297 41.70531 0 0 0
+ 1648 523 13 -0.834 54.12960 45.94549 32.81485 0 0 1
+ 1649 523 14 0.417 53.25962 45.65636 32.53955 0 0 1
+ 1650 523 14 0.417 54.18942 46.85072 32.50950 0 0 1
+ 1651 524 13 -0.834 43.71268 59.97805 32.34985 1 1 0
+ 1652 524 14 0.417 43.46300 59.27568 32.95033 1 1 0
+ 1653 524 14 0.417 42.94131 60.10757 31.79808 1 1 0
+ 1654 525 13 -0.834 50.10604 48.47250 49.62054 1 0 -2
+ 1655 525 14 0.417 50.96037 48.77303 49.31064 1 0 -2
+ 1656 525 14 0.417 50.19320 48.44287 50.57331 1 0 -2
+ 1657 526 13 -0.834 54.68660 60.38920 43.62499 0 0 0
+ 1658 526 14 0.417 54.62862 59.85089 42.83561 0 0 0
+ 1659 526 14 0.417 53.78667 60.44045 43.94712 0 0 0
+ 1660 527 13 -0.834 56.35115 44.75736 40.87552 0 -1 -1
+ 1661 527 14 0.417 56.99705 44.99197 41.54186 0 -1 -1
+ 1662 527 14 0.417 55.55387 44.56808 41.37024 0 -1 -1
+ 1663 528 13 -0.834 48.77009 62.36934 40.44473 0 -1 0
+ 1664 528 14 0.417 49.30266 62.60520 41.20432 0 -1 0
+ 1665 528 14 0.417 49.04689 62.97756 39.75939 0 -1 0
+ 1666 529 13 -0.834 45.88757 58.55209 41.94547 0 1 0
+ 1667 529 14 0.417 46.76719 58.27665 42.20365 0 1 0
+ 1668 529 14 0.417 45.35604 57.75963 42.02128 0 1 0
+ 1669 530 13 -0.834 39.44116 52.22097 43.65725 1 0 2
+ 1670 530 14 0.417 39.30570 52.06689 44.59221 1 0 2
+ 1671 530 14 0.417 38.61744 52.60378 43.35530 1 0 2
+ 1672 531 13 -0.834 43.95976 66.73852 41.23250 1 0 1
+ 1673 531 14 0.417 44.64454 67.13772 40.69588 1 0 1
+ 1674 531 14 0.417 43.40678 67.47232 41.50081 1 0 1
+ 1675 532 13 -0.834 62.99634 65.50241 54.70446 0 -1 -1
+ 1676 532 14 0.417 63.58398 64.98613 55.25617 0 -1 -1
+ 1677 532 14 0.417 62.12519 65.14960 54.88585 0 -1 -1
+ 1678 533 13 -0.834 62.92898 53.27582 44.77167 0 0 0
+ 1679 533 14 0.417 62.08998 53.60880 45.09018 0 0 0
+ 1680 533 14 0.417 62.85751 52.32504 44.85618 0 0 0
+ 1681 534 13 -0.834 63.31201 43.08081 48.29805 -1 0 -1
+ 1682 534 14 0.417 63.01276 42.23705 47.95930 -1 0 -1
+ 1683 534 14 0.417 63.67142 43.53221 47.53431 -1 0 -1
+ 1684 535 13 -0.834 47.11867 63.34781 55.06249 0 0 -1
+ 1685 535 14 0.417 47.19267 64.30022 55.00160 0 0 -1
+ 1686 535 14 0.417 46.22495 63.15783 54.77716 0 0 -1
+ 1687 536 13 -0.834 60.37216 67.91341 52.27568 -1 0 0
+ 1688 536 14 0.417 61.05051 68.14950 52.90839 -1 0 0
+ 1689 536 14 0.417 60.81546 67.93922 51.42771 -1 0 0
+ 1690 537 13 -0.834 60.04315 43.26291 35.25445 -1 1 1
+ 1691 537 14 0.417 60.42501 44.05815 35.62593 -1 1 1
+ 1692 537 14 0.417 60.79709 42.72574 35.01102 -1 1 1
+ 1693 538 13 -0.834 53.03851 55.52589 47.75769 0 0 -1
+ 1694 538 14 0.417 53.93635 55.46537 47.43136 0 0 -1
+ 1695 538 14 0.417 52.51527 55.73342 46.98347 0 0 -1
+ 1696 539 13 -0.834 37.91895 50.43697 56.37325 0 0 0
+ 1697 539 14 0.417 37.51622 49.56884 56.35299 0 0 0
+ 1698 539 14 0.417 38.37591 50.50915 55.53527 0 0 0
+ 1699 540 13 -0.834 50.50006 63.56852 38.27177 1 1 0
+ 1700 540 14 0.417 50.22462 63.18436 37.43944 1 1 0
+ 1701 540 14 0.417 51.44083 63.71275 38.16986 1 1 0
+ 1702 541 13 -0.834 49.44600 43.95446 42.01861 0 0 1
+ 1703 541 14 0.417 49.59639 44.80378 41.60354 0 0 1
+ 1704 541 14 0.417 49.73882 44.07372 42.92211 0 0 1
+ 1705 542 13 -0.834 50.98365 47.23031 39.51901 1 0 1
+ 1706 542 14 0.417 51.18743 48.09631 39.16579 1 0 1
+ 1707 542 14 0.417 50.03928 47.13635 39.39410 1 0 1
+ 1708 543 13 -0.834 45.54625 60.20130 44.30493 0 0 2
+ 1709 543 14 0.417 46.27140 60.62480 43.84553 0 0 2
+ 1710 543 14 0.417 45.09838 59.69256 43.62904 0 0 2
+ 1711 544 13 -0.834 60.48207 53.69772 48.42686 0 0 1
+ 1712 544 14 0.417 60.03677 54.31581 49.00644 0 0 1
+ 1713 544 14 0.417 59.89364 52.94407 48.38216 0 0 1
+ 1714 545 13 -0.834 63.04952 45.83903 48.97963 -1 1 1
+ 1715 545 14 0.417 63.88202 45.63831 49.40729 -1 1 1
+ 1716 545 14 0.417 62.76408 45.00498 48.60667 -1 1 1
+ 1717 546 13 -0.834 40.62890 44.95273 52.60003 2 -1 -2
+ 1718 546 14 0.417 41.29110 45.55853 52.26721 2 -1 -2
+ 1719 546 14 0.417 40.33885 45.34348 53.42431 2 -1 -2
+ 1720 547 13 -0.834 39.91743 46.12102 55.72693 -1 1 -1
+ 1721 547 14 0.417 40.70381 45.68274 56.05216 -1 1 -1
+ 1722 547 14 0.417 39.19323 45.65943 56.14967 -1 1 -1
+ 1723 548 13 -0.834 42.06829 45.07566 41.79962 0 0 -1
+ 1724 548 14 0.417 41.61985 45.91039 41.93531 0 0 -1
+ 1725 548 14 0.417 41.86481 44.56390 42.58253 0 0 -1
+ 1726 549 13 -0.834 44.17588 49.40877 37.86902 1 1 0
+ 1727 549 14 0.417 43.85185 49.35470 38.76808 1 1 0
+ 1728 549 14 0.417 43.95346 48.56183 37.48242 1 1 0
+ 1729 550 13 -0.834 52.64793 63.92130 45.68237 0 1 0
+ 1730 550 14 0.417 52.63502 62.96908 45.58561 0 1 0
+ 1731 550 14 0.417 52.43571 64.07178 46.60356 0 1 0
+ 1732 551 13 -0.834 51.57615 43.64864 38.83377 1 1 0
+ 1733 551 14 0.417 51.74260 43.03820 38.11551 1 1 0
+ 1734 551 14 0.417 52.20192 44.35945 38.69449 1 1 0
+ 1735 552 13 -0.834 62.02099 63.12241 47.73587 0 1 0
+ 1736 552 14 0.417 61.17806 62.75352 47.99973 0 1 0
+ 1737 552 14 0.417 62.48263 62.39363 47.32116 0 1 0
+ 1738 553 13 -0.834 38.41497 51.40373 50.93034 1 1 0
+ 1739 553 14 0.417 37.60807 51.12879 50.49494 1 1 0
+ 1740 553 14 0.417 38.99796 51.65996 50.21571 1 1 0
+ 1741 554 13 -0.834 51.96339 44.25313 49.02477 0 0 0
+ 1742 554 14 0.417 52.81680 44.60151 49.28274 0 0 0
+ 1743 554 14 0.417 52.16570 43.57682 48.37831 0 0 0
+ 1744 555 13 -0.834 43.58422 51.42052 49.88959 0 1 -1
+ 1745 555 14 0.417 42.74054 51.00549 50.06897 0 1 -1
+ 1746 555 14 0.417 44.20160 50.69175 49.82657 0 1 -1
+ 1747 556 13 -0.834 52.39836 53.43568 49.29165 1 0 -1
+ 1748 556 14 0.417 51.88756 52.90169 48.68323 1 0 -1
+ 1749 556 14 0.417 52.64451 54.20889 48.78391 1 0 -1
+ 1750 557 13 -0.834 57.76885 46.61656 49.32842 0 1 0
+ 1751 557 14 0.417 57.83718 46.26991 48.43879 0 1 0
+ 1752 557 14 0.417 58.65246 46.53329 49.68694 0 1 0
+ 1753 558 13 -0.834 59.20868 56.75211 36.79427 0 1 -1
+ 1754 558 14 0.417 59.74268 56.20033 36.22276 0 1 -1
+ 1755 558 14 0.417 58.75094 56.13459 37.36470 0 1 -1
+ 1756 559 13 -0.834 51.74055 42.45875 36.24184 0 1 1
+ 1757 559 14 0.417 51.04879 41.79745 36.22260 0 1 1
+ 1758 559 14 0.417 52.52794 41.99055 35.96429 0 1 1
+ 1759 560 13 -0.834 56.37631 67.32150 33.05439 -1 0 1
+ 1760 560 14 0.417 56.52797 66.39716 33.25152 -1 0 1
+ 1761 560 14 0.417 56.88845 67.79399 33.71068 -1 0 1
+ 1762 561 13 -0.834 54.61713 62.99597 56.69158 0 1 -1
+ 1763 561 14 0.417 54.59393 63.94258 56.83172 0 1 -1
+ 1764 561 14 0.417 54.12883 62.86158 55.87934 0 1 -1
+ 1765 562 13 -0.834 59.12420 67.78462 34.49420 0 -1 1
+ 1766 562 14 0.417 59.61921 67.94665 33.69111 0 -1 1
+ 1767 562 14 0.417 59.22686 41.21594 35.00547 0 0 1
+ 1768 563 13 -0.834 63.35827 53.14027 38.43168 -1 0 0
+ 1769 563 14 0.417 62.48186 53.05933 38.05538 -1 0 0
+ 1770 563 14 0.417 63.87715 53.55740 37.74392 -1 0 0
+ 1771 564 13 -0.834 50.05518 64.80335 44.94078 1 0 -2
+ 1772 564 14 0.417 50.16173 65.71408 44.66608 1 0 -2
+ 1773 564 14 0.417 50.94818 64.48993 45.08424 1 0 -2
+ 1774 565 13 -0.834 61.91076 61.67486 44.00650 0 -3 0
+ 1775 565 14 0.417 61.40514 60.86646 44.09077 0 -3 0
+ 1776 565 14 0.417 62.58390 61.60857 44.68380 0 -3 0
+ 1777 566 13 -0.834 61.53884 41.33016 50.02212 -1 0 -1
+ 1778 566 14 0.417 61.75835 68.35836 49.15591 -1 -1 -1
+ 1779 566 14 0.417 62.19075 42.01255 50.18215 -1 0 -1
+ 1780 567 13 -0.834 54.81641 49.94673 49.66324 0 -1 -1
+ 1781 567 14 0.417 54.81533 50.72359 50.22249 0 -1 -1
+ 1782 567 14 0.417 53.94410 49.93341 49.26932 0 -1 -1
+ 1783 568 13 -0.834 60.68933 64.00249 53.56679 -1 -1 -1
+ 1784 568 14 0.417 60.72666 63.10922 53.90872 -1 -1 -1
+ 1785 568 14 0.417 60.37485 64.52808 54.30238 -1 -1 -1
+ 1786 569 13 -0.834 55.51605 42.60469 53.96890 0 -1 0
+ 1787 569 14 0.417 55.82084 42.66633 53.06360 0 -1 0
+ 1788 569 14 0.417 54.99565 43.39708 54.10137 0 -1 0
+ 1789 570 13 -0.834 43.79008 68.23755 52.31171 2 -1 1
+ 1790 570 14 0.417 43.47705 41.06627 51.42954 2 0 1
+ 1791 570 14 0.417 44.72624 68.07073 52.20206 2 -1 1
+ 1792 571 13 -0.834 40.19615 44.94623 32.57234 0 0 1
+ 1793 571 14 0.417 40.90940 45.49825 32.25173 0 0 1
+ 1794 571 14 0.417 40.42796 44.75889 33.48196 0 0 1
+ 1795 572 13 -0.834 51.93921 56.60019 36.60262 -1 0 1
+ 1796 572 14 0.417 51.78399 56.35099 37.51368 -1 0 1
+ 1797 572 14 0.417 51.06469 56.74242 36.24039 -1 0 1
+ 1798 573 13 -0.834 61.66916 50.48338 53.29865 -1 0 -2
+ 1799 573 14 0.417 61.63036 50.41309 54.25248 -1 0 -2
+ 1800 573 14 0.417 60.77283 50.69388 53.03687 -1 0 -2
+ 1801 574 13 -0.834 51.74160 54.87485 56.16871 0 -1 0
+ 1802 574 14 0.417 50.91429 55.26706 56.44795 0 -1 0
+ 1803 574 14 0.417 51.91124 55.25931 55.30869 0 -1 0
+ 1804 575 13 -0.834 40.85698 68.18248 30.13155 1 -1 0
+ 1805 575 14 0.417 41.30492 67.87357 56.71541 1 -1 -1
+ 1806 575 14 0.417 41.55175 41.19073 30.66952 1 0 0
+ 1807 576 13 -0.834 50.89809 58.89690 54.50288 -1 0 0
+ 1808 576 14 0.417 50.06229 58.64352 54.89466 -1 0 0
+ 1809 576 14 0.417 51.37024 59.33797 55.20914 -1 0 0
+ 1810 577 13 -0.834 58.37524 67.95427 49.91095 0 1 0
+ 1811 577 14 0.417 57.83519 41.29391 50.25604 0 2 0
+ 1812 577 14 0.417 59.26942 68.19076 50.15744 0 1 0
+ 1813 578 13 -0.834 51.40785 46.48357 30.68744 1 0 1
+ 1814 578 14 0.417 52.21871 45.99275 30.55389 1 0 1
+ 1815 578 14 0.417 50.76683 45.82189 30.94725 1 0 1
+ 1816 579 13 -0.834 57.04032 43.52295 36.91237 0 0 0
+ 1817 579 14 0.417 56.97310 44.35969 36.45239 0 0 0
+ 1818 579 14 0.417 57.91622 43.53095 37.29833 0 0 0
+ 1819 580 13 -0.834 48.05479 47.92450 33.11226 0 0 1
+ 1820 580 14 0.417 47.68291 48.79527 32.97186 0 0 1
+ 1821 580 14 0.417 48.92592 48.09081 33.47242 0 0 1
+ 1822 581 13 -0.834 52.31083 59.89064 56.95945 1 -2 -1
+ 1823 581 14 0.417 51.77727 60.32576 30.25310 1 -2 0
+ 1824 581 14 0.417 52.84806 60.59010 56.58744 1 -2 -1
+ 1825 582 13 -0.834 49.28190 53.14534 38.62511 0 0 1
+ 1826 582 14 0.417 48.56647 53.70668 38.92395 0 0 1
+ 1827 582 14 0.417 48.86634 52.52585 38.02526 0 0 1
+ 1828 583 13 -0.834 48.15214 51.90611 34.43290 2 0 0
+ 1829 583 14 0.417 48.57405 51.97443 33.57642 2 0 0
+ 1830 583 14 0.417 47.22654 51.76503 34.23389 2 0 0
+ 1831 584 13 -0.834 61.27546 54.09168 30.34511 0 1 1
+ 1832 584 14 0.417 61.26898 53.84689 31.27046 0 1 1
+ 1833 584 14 0.417 62.02427 53.62196 29.97785 0 1 1
+ 1834 585 13 -0.834 47.15916 50.47662 53.78471 0 -1 0
+ 1835 585 14 0.417 47.32648 50.93912 54.60588 0 -1 0
+ 1836 585 14 0.417 46.29671 50.78520 53.50690 0 -1 0
+ 1837 586 13 -0.834 58.58091 63.09753 49.23949 0 -1 1
+ 1838 586 14 0.417 59.43607 63.50227 49.38484 0 -1 1
+ 1839 586 14 0.417 58.76326 62.34843 48.67219 0 -1 1
+ 1840 587 13 -0.834 55.82082 49.65937 30.11648 0 1 1
+ 1841 587 14 0.417 56.52757 49.92139 30.70647 0 1 1
+ 1842 587 14 0.417 55.68213 50.42183 56.92602 0 1 0
+ 1843 588 13 -0.834 63.79581 52.53565 53.17702 0 -2 1
+ 1844 588 14 0.417 36.89869 52.41207 52.35479 1 -2 1
+ 1845 588 14 0.417 63.12882 51.84908 53.17487 0 -2 1
+ 1846 589 13 -0.834 58.30874 56.36537 43.52715 0 0 3
+ 1847 589 14 0.417 58.58025 56.80205 44.33452 0 0 3
+ 1848 589 14 0.417 57.40732 56.09029 43.69457 0 0 3
+ 1849 590 13 -0.834 38.42652 61.06904 33.48425 0 -2 -1
+ 1850 590 14 0.417 39.08604 61.75763 33.56856 0 -2 -1
+ 1851 590 14 0.417 38.90648 60.25628 33.64334 0 -2 -1
+ 1852 591 13 -0.834 46.61439 51.58566 41.81121 1 -1 0
+ 1853 591 14 0.417 46.97646 51.37067 42.67082 1 -1 0
+ 1854 591 14 0.417 46.41089 50.73724 41.41750 1 -1 0
+ 1855 592 13 -0.834 60.01555 43.31814 42.71405 1 0 1
+ 1856 592 14 0.417 60.52150 42.79903 43.33920 1 0 1
+ 1857 592 14 0.417 59.90024 42.74003 41.95989 1 0 1
+ 1858 593 13 -0.834 44.88246 59.34852 51.75271 1 0 -1
+ 1859 593 14 0.417 45.75263 59.37400 52.15069 1 0 -1
+ 1860 593 14 0.417 44.67274 58.41644 51.69374 1 0 -1
+ 1861 594 13 -0.834 58.22051 53.10280 51.15729 0 -1 0
+ 1862 594 14 0.417 58.53381 52.60654 51.91346 0 -1 0
+ 1863 594 14 0.417 58.92607 53.72100 50.96688 0 -1 0
+ 1864 595 13 -0.834 52.85332 67.67658 42.66705 0 -1 0
+ 1865 595 14 0.417 53.29462 67.40699 41.86157 0 -1 0
+ 1866 595 14 0.417 53.28090 67.16860 43.35652 0 -1 0
+ 1867 596 13 -0.834 60.42773 53.38162 37.56585 0 0 1
+ 1868 596 14 0.417 60.55482 53.97513 38.30601 0 0 1
+ 1869 596 14 0.417 59.53313 53.05721 37.66924 0 0 1
+ 1870 597 13 -0.834 56.52028 65.87791 50.38146 0 0 1
+ 1871 597 14 0.417 56.94337 66.73645 50.39389 0 0 1
+ 1872 597 14 0.417 57.02985 65.35034 50.99649 0 0 1
+ 1873 598 13 -0.834 54.80064 62.49993 33.68680 1 0 1
+ 1874 598 14 0.417 55.58425 61.96146 33.79744 1 0 1
+ 1875 598 14 0.417 55.10591 63.27334 33.21259 1 0 1
+ 1876 599 13 -0.834 44.11783 61.90196 34.52932 1 1 -1
+ 1877 599 14 0.417 44.98641 61.86349 34.92975 1 1 -1
+ 1878 599 14 0.417 44.21923 61.44892 33.69223 1 1 -1
+ 1879 600 13 -0.834 47.64060 51.80694 44.33090 -1 -1 0
+ 1880 600 14 0.417 48.33775 51.24158 44.66345 -1 -1 0
+ 1881 600 14 0.417 47.96940 52.69619 44.46262 -1 -1 0
+ 1882 601 13 -0.834 56.93644 64.17109 32.73010 0 -2 0
+ 1883 601 14 0.417 57.35484 63.79547 31.95543 0 -2 0
+ 1884 601 14 0.417 57.46604 63.85913 33.46389 0 -2 0
+ 1885 602 13 -0.834 40.19928 60.95715 53.68963 1 0 -1
+ 1886 602 14 0.417 41.08822 60.76154 53.39341 1 0 -1
+ 1887 602 14 0.417 39.80336 61.43545 52.96114 1 0 -1
+ 1888 603 13 -0.834 56.02366 41.52320 41.07986 0 1 0
+ 1889 603 14 0.417 55.42766 41.48842 40.33165 0 1 0
+ 1890 603 14 0.417 55.93467 42.41489 41.41631 0 1 0
+ 1891 604 13 -0.834 52.35261 67.43639 29.83633 -1 0 0
+ 1892 604 14 0.417 53.08703 67.77971 56.69878 -1 0 -1
+ 1893 604 14 0.417 51.97673 68.20568 30.26426 -1 0 0
+ 1894 605 13 -0.834 51.14102 49.90060 37.90539 1 0 1
+ 1895 605 14 0.417 51.41236 49.08269 37.48865 1 0 1
+ 1896 605 14 0.417 50.32915 50.13989 37.45830 1 0 1
+ 1897 606 13 -0.834 48.40753 57.18555 40.43062 0 0 0
+ 1898 606 14 0.417 47.74030 57.19949 39.74445 0 0 0
+ 1899 606 14 0.417 48.68357 58.09814 40.51553 0 0 0
+ 1900 607 13 -0.834 38.43185 54.52830 40.23522 1 -2 1
+ 1901 607 14 0.417 37.76601 54.24704 40.86274 1 -2 1
+ 1902 607 14 0.417 37.95756 54.62565 39.40951 1 -2 1
+ 1903 608 13 -0.834 52.97765 52.38562 41.57118 0 0 0
+ 1904 608 14 0.417 52.16773 52.00413 41.23247 0 0 0
+ 1905 608 14 0.417 53.62059 51.67937 41.50742 0 0 0
+ 1906 609 13 -0.834 52.82978 61.35779 35.40768 0 1 -2
+ 1907 609 14 0.417 53.63682 61.71145 35.03372 0 1 -2
+ 1908 609 14 0.417 53.10766 60.57217 35.87865 0 1 -2
+ 1909 610 13 -0.834 55.37636 43.79165 30.66790 0 0 0
+ 1910 610 14 0.417 55.82860 43.25432 31.31827 0 0 0
+ 1911 610 14 0.417 55.97415 44.52040 30.50110 0 0 0
+ 1912 611 13 -0.834 37.90570 54.55715 45.50029 1 -2 -1
+ 1913 611 14 0.417 37.12871 54.09851 45.18066 1 -2 -1
+ 1914 611 14 0.417 38.24821 53.99402 46.19441 1 -2 -1
+ 1915 612 13 -0.834 60.01324 50.96528 45.16358 1 1 0
+ 1916 612 14 0.417 59.85669 51.13906 44.23539 1 1 0
+ 1917 612 14 0.417 59.48415 50.19096 45.35532 1 1 0
+ 1918 613 13 -0.834 38.84394 52.32942 30.93040 2 1 0
+ 1919 613 14 0.417 38.51878 51.61086 30.38802 2 1 0
+ 1920 613 14 0.417 38.41000 53.10831 30.58218 2 1 0
+ 1921 614 13 -0.834 38.99542 61.66171 44.80992 1 0 2
+ 1922 614 14 0.417 38.78488 60.74588 44.99207 1 0 2
+ 1923 614 14 0.417 39.68427 61.62223 44.14648 1 0 2
+ 1924 615 13 -0.834 57.70791 41.72720 55.47643 0 1 -2
+ 1925 615 14 0.417 57.25844 41.36846 56.24163 0 1 -2
+ 1926 615 14 0.417 57.00496 41.93588 54.86116 0 1 -2
+ 1927 616 13 -0.834 58.08999 54.20225 35.53764 0 -1 0
+ 1928 616 14 0.417 58.28608 53.46338 36.11372 0 -1 0
+ 1929 616 14 0.417 57.15628 54.11553 35.34551 0 -1 0
+ 1930 617 13 -0.834 53.05217 52.71850 54.07873 0 0 -1
+ 1931 617 14 0.417 52.72353 53.45661 54.59199 0 0 -1
+ 1932 617 14 0.417 52.69237 51.94509 54.51306 0 0 -1
+ 1933 618 13 -0.834 49.92059 65.13477 35.13462 0 1 1
+ 1934 618 14 0.417 50.86780 65.25694 35.19866 0 1 1
+ 1935 618 14 0.417 49.79534 64.18846 35.20565 0 1 1
+ 1936 619 13 -0.834 41.32410 62.50943 46.98364 1 -1 0
+ 1937 619 14 0.417 40.63048 62.20572 46.39807 1 -1 0
+ 1938 619 14 0.417 41.96090 61.79482 46.99226 1 -1 0
+ 1939 620 13 -0.834 53.94559 67.39201 49.11860 0 0 0
+ 1940 620 14 0.417 54.46912 66.60137 48.98810 0 0 0
+ 1941 620 14 0.417 54.03461 67.58755 50.05138 0 0 0
+ 1942 621 13 -0.834 62.73724 52.28919 56.37358 -2 0 0
+ 1943 621 14 0.417 61.94239 51.76764 56.26203 -2 0 0
+ 1944 621 14 0.417 63.44036 51.64333 56.44233 -2 0 0
+ 1945 622 13 -0.834 40.38118 67.16060 39.18721 2 1 1
+ 1946 622 14 0.417 41.33280 67.21360 39.09858 2 1 1
+ 1947 622 14 0.417 40.05780 67.12713 38.28691 2 1 1
+ 1948 623 13 -0.834 62.86517 42.00727 34.57539 -1 0 -1
+ 1949 623 14 0.417 63.37239 42.81882 34.59420 -1 0 -1
+ 1950 623 14 0.417 63.40838 41.39624 34.07760 -1 0 -1
+ 1951 624 13 -0.834 45.52270 49.32960 34.34348 1 -1 1
+ 1952 624 14 0.417 45.92383 49.19413 33.48500 1 -1 1
+ 1953 624 14 0.417 45.24004 50.24407 34.33468 1 -1 1
+ 1954 625 13 -0.834 61.03811 44.77668 56.49913 1 1 0
+ 1955 625 14 0.417 60.72892 43.87199 56.45248 1 1 0
+ 1956 625 14 0.417 60.93423 45.11202 55.60864 1 1 0
+ 1957 626 13 -0.834 37.82896 51.65548 39.75440 0 1 1
+ 1958 626 14 0.417 37.05574 52.05171 39.35268 0 1 1
+ 1959 626 14 0.417 38.46628 52.36806 39.80236 0 1 1
+ 1960 627 13 -0.834 57.87448 65.36125 35.56679 -1 -1 0
+ 1961 627 14 0.417 58.45940 64.84211 35.01489 -1 -1 0
+ 1962 627 14 0.417 58.01580 66.26448 35.28319 -1 -1 0
+ 1963 628 13 -0.834 41.02352 64.37669 36.41484 0 0 1
+ 1964 628 14 0.417 40.85775 63.95254 37.25679 0 0 1
+ 1965 628 14 0.417 41.32667 63.66948 35.84545 0 0 1
+ 1966 629 13 -0.834 48.62923 67.86173 41.06030 1 0 1
+ 1967 629 14 0.417 48.15680 41.13844 41.58283 1 1 1
+ 1968 629 14 0.417 47.94185 67.35115 40.63246 1 0 1
+ 1969 630 13 -0.834 57.99331 55.69311 47.88478 1 2 0
+ 1970 630 14 0.417 57.70999 55.65425 48.79826 1 2 0
+ 1971 630 14 0.417 57.37284 55.13407 47.41709 1 2 0
+ 1972 631 13 -0.834 48.67013 62.47689 45.75332 -1 -1 0
+ 1973 631 14 0.417 49.00300 63.35392 45.56291 -1 -1 0
+ 1974 631 14 0.417 48.17776 62.23177 44.96992 -1 -1 0
+ 1975 632 13 -0.834 63.70160 54.96100 33.30497 -1 0 0
+ 1976 632 14 0.417 64.21034 55.41699 32.63452 -1 0 0
+ 1977 632 14 0.417 36.84822 54.18301 33.51151 0 0 0
+ 1978 633 13 -0.834 61.71933 50.02843 40.52579 1 0 -1
+ 1979 633 14 0.417 61.89605 49.89083 39.59516 1 0 -1
+ 1980 633 14 0.417 61.20325 50.83404 40.55551 1 0 -1
+ 1981 634 13 -0.834 49.51254 64.46386 53.41539 0 -1 -1
+ 1982 634 14 0.417 48.93704 63.81647 53.00803 0 -1 -1
+ 1983 634 14 0.417 49.96102 63.98252 54.11066 0 -1 -1
+ 1984 635 13 -0.834 49.54405 44.64373 31.53722 1 2 1
+ 1985 635 14 0.417 49.17415 44.45447 32.39954 1 2 1
+ 1986 635 14 0.417 48.78808 44.87386 30.99705 1 2 1
+ 1987 636 13 -0.834 55.54392 65.92737 37.61921 0 -1 -1
+ 1988 636 14 0.417 56.11408 65.75233 38.36791 0 -1 -1
+ 1989 636 14 0.417 56.12096 66.32174 36.96519 0 -1 -1
+ 1990 637 13 -0.834 55.12269 51.83986 35.86341 1 0 1
+ 1991 637 14 0.417 55.56426 51.26412 35.23910 1 0 1
+ 1992 637 14 0.417 54.23658 51.93728 35.51477 1 0 1
+ 1993 638 13 -0.834 55.63681 62.23759 37.50835 1 -1 0
+ 1994 638 14 0.417 55.30920 61.35525 37.33403 1 -1 0
+ 1995 638 14 0.417 56.23965 62.41667 36.78672 1 -1 0
+ 1996 639 13 -0.834 39.91450 42.04260 35.59226 0 0 0
+ 1997 639 14 0.417 39.72903 41.27571 36.13422 0 0 0
+ 1998 639 14 0.417 39.23583 42.02933 34.91737 0 0 0
+ 1999 640 13 -0.834 48.26433 59.84813 40.16126 0 1 0
+ 2000 640 14 0.417 48.74870 60.67004 40.23938 0 1 0
+ 2001 640 14 0.417 47.50743 60.06639 39.61748 0 1 0
+ 2002 641 13 -0.834 57.35097 49.28414 48.37687 1 1 1
+ 2003 641 14 0.417 57.35715 48.51028 48.94022 1 1 1
+ 2004 641 14 0.417 56.55074 49.75049 48.61854 1 1 1
+
+Velocities
+
+ 1 -0.000671 -0.002823 0.003832
+ 2 -0.001597 0.002405 -0.003777
+ 3 0.005494 0.003807 -0.002300
+ 4 -0.000077 0.004524 -0.000287
+ 5 0.003116 -0.007135 -0.034325
+ 6 -0.006676 0.004889 -0.001939
+ 7 0.003499 -0.004774 0.000159
+ 8 -0.003460 0.000694 0.000994
+ 9 -0.000065 -0.001353 -0.002848
+ 10 -0.001260 -0.002649 0.000699
+ 11 -0.002820 -0.002457 -0.005671
+ 12 0.005156 -0.005914 0.000984
+ 13 -0.002342 -0.001592 0.004306
+ 14 0.004397 -0.000231 0.003308
+ 15 -0.003258 -0.000006 0.001838
+ 16 -0.001637 -0.004429 0.003154
+ 17 0.007073 -0.000472 -0.003331
+ 18 -0.003380 -0.001390 0.005013
+ 19 -0.011019 -0.005332 -0.010451
+ 20 -0.005433 0.000844 0.004938
+ 21 0.002988 0.000244 -0.009941
+ 22 -0.003695 0.006546 -0.007678
+ 23 0.009473 0.023276 0.019457
+ 24 -0.010016 -0.024193 0.018017
+ 25 0.004015 0.008726 -0.000397
+ 26 -0.001741 -0.001861 0.007862
+ 27 -0.009771 -0.011577 -0.005703
+ 28 0.003573 0.006265 -0.005932
+ 29 0.004789 0.001987 -0.004620
+ 30 0.008858 -0.001064 -0.001455
+ 31 -0.001403 0.000613 0.002330
+ 32 -0.005808 -0.001620 0.000816
+ 33 -0.004160 0.001188 -0.019638
+ 34 -0.006899 0.006285 0.013256
+ 35 0.000717 -0.000432 -0.006883
+ 36 0.002110 0.002628 -0.004683
+ 37 0.000765 -0.007298 0.000289
+ 38 -0.000128 -0.002893 0.004065
+ 39 -0.000411 -0.021741 0.010968
+ 40 0.002858 0.000302 0.000042
+ 41 0.014233 -0.004599 -0.004060
+ 42 -0.001473 -0.003572 -0.006228
+ 43 0.009129 -0.002755 0.001456
+ 44 0.003931 0.000151 0.003472
+ 45 0.001621 0.005391 -0.006087
+ 46 -0.004269 -0.001973 0.002735
+ 47 -0.006898 -0.001187 -0.003394
+ 48 -0.008556 -0.000163 -0.001387
+ 49 -0.000633 -0.001754 0.011460
+ 50 0.004854 -0.002902 -0.005057
+ 51 0.000678 0.003272 0.006218
+ 52 0.006502 0.006365 -0.000215
+ 53 0.005708 0.012368 0.002955
+ 54 0.008627 -0.007839 0.003177
+ 55 0.004394 0.000132 0.002346
+ 56 -0.004641 0.009426 -0.005548
+ 57 -0.004801 -0.024766 0.002851
+ 58 -0.002703 0.001589 0.007521
+ 59 0.023718 -0.006559 0.003743
+ 60 -0.010013 -0.042894 -0.029745
+ 61 0.016140 -0.000721 -0.001747
+ 62 -0.004871 0.002439 0.001990
+ 63 0.009632 0.007144 0.001203
+ 64 -0.001150 0.001648 -0.003018
+ 65 0.006658 -0.002268 0.006874
+ 66 -0.002617 0.003321 0.002230
+ 67 -0.000803 0.002802 0.003258
+ 68 -0.000984 -0.001579 -0.001813
+ 69 0.001316 0.000607 0.003431
+ 70 -0.010901 0.000580 -0.004134
+ 71 0.005370 -0.003909 0.013130
+ 72 -0.012282 0.007114 -0.015100
+ 73 0.004641 -0.007554 0.004302
+ 74 0.017455 0.013344 0.004896
+ 75 0.006200 0.026885 0.020665
+ 76 -0.010372 0.000470 -0.005601
+ 77 -0.003368 -0.004484 0.010962
+ 78 0.012416 -0.004728 0.000719
+ 79 -0.005789 0.005198 -0.007541
+ 80 0.005480 -0.004049 0.003455
+ 81 -0.004935 0.005839 -0.006405
+ 82 0.001157 -0.011200 0.018491
+ 83 -0.029013 -0.016935 0.021131
+ 84 -0.020335 0.020972 0.006071
+ 85 0.003304 0.007374 -0.005056
+ 86 0.029227 0.010776 -0.013183
+ 87 0.001651 0.006570 -0.002085
+ 88 0.001533 -0.009172 0.007562
+ 89 0.018153 -0.022223 0.015786
+ 90 -0.010012 -0.004911 0.002561
+ 91 0.000435 0.003941 -0.005468
+ 92 0.003301 0.001183 -0.006999
+ 93 0.006788 0.011331 -0.004427
+ 94 0.001392 0.005663 -0.002907
+ 95 -0.001849 -0.002229 -0.003422
+ 96 -0.000820 0.005872 0.004561
+ 97 -0.003264 0.002461 -0.009257
+ 98 0.000160 0.016954 -0.015355
+ 99 -0.006597 0.011858 0.000426
+ 100 0.001816 -0.005854 -0.001317
+ 101 -0.001936 -0.006103 0.018111
+ 102 0.024621 -0.022735 -0.000704
+ 103 -0.001102 0.008384 -0.003086
+ 104 0.012559 0.004375 -0.000361
+ 105 0.008377 0.014814 -0.037755
+ 106 -0.002851 -0.000200 -0.000722
+ 107 0.010701 0.006888 -0.007831
+ 108 -0.008490 0.011514 0.009399
+ 109 -0.001181 0.001853 0.002176
+ 110 -0.018912 -0.023868 0.006706
+ 111 -0.000415 -0.001525 0.005751
+ 112 -0.001172 0.001329 -0.001270
+ 113 -0.006700 -0.006243 -0.006459
+ 114 0.000018 0.001429 0.001376
+ 115 0.001269 0.002521 0.005249
+ 116 -0.002179 0.015666 0.006861
+ 117 -0.007158 0.000981 0.007353
+ 118 0.001047 0.000840 -0.004404
+ 119 0.000974 -0.012527 0.005053
+ 120 0.026729 0.008884 -0.003350
+ 121 0.001181 -0.004040 -0.002037
+ 122 0.006556 -0.007438 0.002656
+ 123 0.005056 -0.015002 -0.003727
+ 124 -0.002704 -0.003683 -0.001021
+ 125 0.025048 0.007258 0.008873
+ 126 0.019645 -0.020824 -0.002539
+ 127 0.000061 0.001072 0.002612
+ 128 0.005132 0.013203 0.018763
+ 129 0.033473 0.004804 0.018651
+ 130 -0.003459 -0.000309 -0.001348
+ 131 -0.008088 0.023660 0.011047
+ 132 0.010962 0.031994 0.008711
+ 133 0.000181 -0.002894 -0.001677
+ 134 0.024049 -0.000711 -0.009405
+ 135 0.018702 0.003422 -0.019522
+ 136 -0.000836 -0.003270 -0.005700
+ 137 0.012246 0.016524 0.001525
+ 138 0.006270 -0.011288 0.002224
+ 139 -0.005169 0.005097 -0.000688
+ 140 -0.006982 0.003044 -0.001383
+ 141 0.012227 0.012767 0.004047
+ 142 -0.001169 0.006070 -0.007989
+ 143 0.005451 0.002569 -0.009841
+ 144 0.001825 -0.002822 -0.005341
+ 145 0.000911 0.004242 -0.002026
+ 146 0.012072 -0.001187 -0.010498
+ 147 0.007366 0.005541 0.012099
+ 148 0.009820 0.000588 0.001087
+ 149 0.013758 0.005140 0.015262
+ 150 0.015580 0.003311 0.013079
+ 151 0.002031 0.000411 0.003403
+ 152 -0.001996 0.003750 0.007387
+ 153 0.000790 0.000281 -0.000919
+ 154 -0.004168 0.001886 -0.004993
+ 155 -0.011049 0.015294 0.001052
+ 156 -0.012308 0.010348 -0.003128
+ 157 -0.001609 -0.004040 -0.002294
+ 158 -0.005715 -0.015529 -0.005700
+ 159 0.014489 0.026653 0.004024
+ 160 0.004070 0.000866 0.003373
+ 161 0.004691 0.005062 0.002569
+ 162 0.007082 -0.019961 -0.026174
+ 163 0.005501 0.000902 -0.001325
+ 164 0.007503 0.001448 -0.001472
+ 165 0.013628 0.003649 -0.005952
+ 166 -0.000639 0.003162 -0.007271
+ 167 0.007342 -0.011001 -0.016849
+ 168 -0.018400 -0.004772 0.020839
+ 169 0.000214 -0.000386 0.002706
+ 170 -0.005862 0.010449 -0.003793
+ 171 -0.013612 0.011870 -0.006417
+ 172 -0.005485 0.006465 0.005343
+ 173 0.001788 0.008428 0.005641
+ 174 -0.018354 0.029579 0.010717
+ 175 0.002627 -0.000754 0.000071
+ 176 -0.018080 0.018546 0.001794
+ 177 0.006754 -0.000962 -0.007786
+ 178 0.002343 0.002166 0.004945
+ 179 -0.001724 0.003155 0.010761
+ 180 0.010728 0.003441 0.001544
+ 181 -0.000849 -0.002856 0.001461
+ 182 0.009366 -0.003672 -0.001935
+ 183 0.016615 -0.001746 0.005238
+ 184 -0.002730 -0.000316 -0.004583
+ 185 -0.014755 -0.011310 0.003338
+ 186 0.005862 0.008235 -0.003200
+ 187 -0.003189 -0.006285 0.009536
+ 188 -0.005114 -0.007060 0.006450
+ 189 -0.000516 -0.008757 0.009854
+ 190 -0.000859 0.005266 0.001864
+ 191 0.003108 -0.007021 0.009190
+ 192 -0.015949 -0.002050 0.007021
+ 193 -0.007008 0.002608 -0.004583
+ 194 -0.020431 -0.004004 0.008047
+ 195 -0.000364 0.001236 -0.011425
+ 196 0.002420 0.006931 0.002031
+ 197 0.007178 0.006129 0.009924
+ 198 -0.005981 0.016623 -0.013067
+ 199 0.003142 -0.001394 -0.001846
+ 200 0.011374 -0.002895 -0.000674
+ 201 0.032698 -0.002552 0.007288
+ 202 -0.005709 0.000071 0.005037
+ 203 -0.013193 -0.012592 -0.008102
+ 204 -0.008194 0.014723 0.003840
+ 205 -0.003270 -0.006146 0.004301
+ 206 0.004399 -0.010132 -0.001197
+ 207 -0.030308 0.012803 0.003540
+ 208 0.002110 0.002374 0.006075
+ 209 -0.000845 -0.004182 -0.002795
+ 210 0.002582 -0.004671 0.002224
+ 211 -0.003768 0.002130 0.001339
+ 212 0.022509 0.017397 0.002782
+ 213 0.020609 0.006682 -0.014082
+ 214 0.003956 0.004282 -0.005023
+ 215 0.007499 0.004128 0.002237
+ 216 0.034882 -0.005096 0.008948
+ 217 -0.002552 -0.000287 -0.001907
+ 218 0.025445 0.005560 -0.016526
+ 219 0.002741 0.000814 -0.004654
+ 220 0.002162 -0.001203 0.000936
+ 221 0.004071 0.004725 0.001938
+ 222 0.002393 -0.013063 -0.003950
+ 223 -0.001609 -0.003218 -0.004310
+ 224 -0.012550 0.009033 -0.007868
+ 225 0.014344 0.000886 -0.013005
+ 226 0.005863 0.010335 -0.003424
+ 227 0.011104 -0.005602 -0.012415
+ 228 0.001222 0.002408 0.001546
+ 229 -0.002038 0.001858 0.002991
+ 230 -0.017517 -0.020932 0.016099
+ 231 0.005257 0.011588 -0.018236
+ 232 -0.002660 -0.006193 0.003186
+ 233 -0.021995 0.012375 0.004372
+ 234 -0.013906 0.028004 -0.004997
+ 235 0.002339 -0.001255 -0.003548
+ 236 0.001689 0.005243 -0.006337
+ 237 0.000498 -0.007782 -0.015260
+ 238 0.001142 0.002234 0.003408
+ 239 0.007521 0.004622 -0.003272
+ 240 -0.001154 0.006952 0.006739
+ 241 -0.000938 -0.004609 0.002499
+ 242 0.004903 0.001117 0.013021
+ 243 0.008126 -0.013873 -0.001075
+ 244 -0.004097 0.002491 -0.002459
+ 245 0.002093 -0.002989 0.010881
+ 246 0.008552 0.010436 0.008330
+ 247 -0.000211 0.002295 0.001935
+ 248 0.004346 0.003486 0.008405
+ 249 -0.006182 0.002873 -0.007955
+ 250 0.002466 0.001439 -0.002302
+ 251 -0.003246 0.007233 0.009469
+ 252 -0.002606 0.002646 0.002563
+ 253 0.000833 -0.001794 -0.003483
+ 254 -0.001066 -0.001277 -0.012569
+ 255 -0.003354 -0.002604 -0.016130
+ 256 0.007379 0.006324 -0.003535
+ 257 0.025411 0.006788 -0.010928
+ 258 0.011648 0.000201 0.004051
+ 259 -0.000385 -0.000823 -0.000593
+ 260 -0.001070 -0.019569 0.006235
+ 261 0.011350 0.009136 0.002805
+ 262 -0.001688 0.002178 0.004704
+ 263 -0.011748 0.007674 0.002198
+ 264 -0.005358 0.003728 -0.002879
+ 265 -0.004209 0.000686 -0.004990
+ 266 0.000586 0.011928 0.008080
+ 267 0.004512 -0.002493 -0.000297
+ 268 -0.000130 0.007801 -0.005732
+ 269 -0.006259 -0.000991 -0.001515
+ 270 0.015560 -0.011483 0.001826
+ 271 -0.003544 0.003178 0.000326
+ 272 0.006639 0.005731 0.008812
+ 273 -0.009361 -0.001371 -0.002830
+ 274 -0.000226 0.001739 0.001787
+ 275 -0.001846 -0.005637 -0.002071
+ 276 0.009461 0.005629 -0.001253
+ 277 0.003294 -0.005377 -0.000680
+ 278 0.027740 0.013288 0.002669
+ 279 0.003403 0.012169 -0.019874
+ 280 -0.001383 0.000386 -0.006636
+ 281 -0.005910 0.003429 -0.006992
+ 282 0.002649 -0.004178 -0.006969
+ 283 0.004768 -0.001680 0.000104
+ 284 -0.012916 0.017467 -0.012201
+ 285 0.010278 -0.007970 0.003734
+ 286 0.000005 0.000300 0.006224
+ 287 0.003150 -0.001535 0.007443
+ 288 -0.000547 -0.003737 0.010794
+ 289 0.003054 0.005656 0.000426
+ 290 0.006673 0.002252 0.007300
+ 291 0.004185 0.001696 0.005292
+ 292 -0.001277 -0.005156 -0.001765
+ 293 0.005969 -0.004326 -0.002540
+ 294 -0.026915 -0.005145 0.019233
+ 295 -0.003352 -0.000356 -0.001610
+ 296 -0.023375 -0.003718 -0.017075
+ 297 0.006387 -0.025086 0.000315
+ 298 -0.005064 0.001395 0.004436
+ 299 -0.004111 0.000853 -0.032909
+ 300 0.000933 0.005949 0.017391
+ 301 0.000607 0.002490 -0.002786
+ 302 0.002638 0.008857 0.008537
+ 303 0.001294 0.011357 -0.003275
+ 304 -0.001798 -0.003127 -0.000795
+ 305 -0.003320 0.000996 0.004122
+ 306 -0.008728 -0.000634 0.002033
+ 307 -0.003535 -0.002662 -0.002777
+ 308 -0.005954 -0.002781 -0.004403
+ 309 -0.002147 -0.001477 -0.001223
+ 310 -0.002595 -0.001397 0.002359
+ 311 -0.003605 -0.000224 0.015269
+ 312 -0.014002 -0.002828 0.000027
+ 313 0.001583 -0.005357 0.002380
+ 314 -0.002955 -0.014106 -0.011581
+ 315 0.000151 -0.006411 0.002865
+ 316 0.004278 -0.004088 0.000114
+ 317 -0.019291 0.001584 0.015204
+ 318 -0.013439 -0.000674 0.010987
+ 319 0.000024 0.000995 0.005326
+ 320 -0.009041 0.020464 0.014139
+ 321 0.004208 -0.003482 0.004723
+ 322 0.001489 -0.003292 0.000500
+ 323 0.000364 0.006211 0.006844
+ 324 0.007467 0.021162 -0.001636
+ 325 0.009527 -0.000863 -0.005483
+ 326 -0.009936 0.006496 -0.014136
+ 327 -0.007595 -0.006469 -0.002090
+ 328 -0.002856 -0.010388 -0.000678
+ 329 -0.026693 -0.007624 -0.001572
+ 330 0.029582 -0.010319 0.009090
+ 331 -0.009062 0.000913 0.000368
+ 332 -0.019327 0.020501 -0.000560
+ 333 -0.018764 -0.008632 0.002570
+ 334 0.004502 0.001200 -0.008087
+ 335 0.008714 -0.005091 -0.008624
+ 336 0.004610 0.003623 -0.007048
+ 337 0.002461 -0.000759 0.003913
+ 338 0.021591 -0.013925 0.009416
+ 339 -0.017190 0.002325 0.006138
+ 340 0.003361 0.004027 0.006986
+ 341 0.006850 0.012752 0.018496
+ 342 0.019589 0.009932 -0.004987
+ 343 0.000463 0.005037 -0.000723
+ 344 0.008333 0.006382 -0.005532
+ 345 0.004288 0.006565 0.007800
+ 346 -0.001505 -0.001295 0.001190
+ 347 -0.015747 0.011253 0.025149
+ 348 0.014871 -0.012646 -0.016815
+ 349 -0.000186 0.002115 -0.002539
+ 350 0.001936 0.000958 -0.003366
+ 351 -0.014299 0.007078 -0.001653
+ 352 -0.000876 -0.001637 -0.002032
+ 353 -0.001168 0.005556 -0.012749
+ 354 -0.003162 -0.016318 -0.009468
+ 355 -0.000674 -0.001888 -0.003265
+ 356 0.017652 -0.009515 0.007889
+ 357 0.015313 -0.006079 0.010454
+ 358 -0.000964 -0.004354 0.000067
+ 359 0.004137 -0.002540 0.004500
+ 360 -0.011376 -0.000921 -0.006123
+ 361 0.002023 0.003210 -0.000511
+ 362 0.012560 -0.011698 0.016109
+ 363 -0.013295 -0.009379 -0.009014
+ 364 0.003315 0.003249 0.007620
+ 365 -0.010739 0.000915 -0.008118
+ 366 -0.015293 0.007564 -0.004343
+ 367 0.000192 0.002269 -0.000485
+ 368 0.002520 -0.012494 -0.004632
+ 369 0.010222 0.003093 -0.002247
+ 370 0.003953 0.000628 0.004147
+ 371 0.001165 -0.005271 0.007550
+ 372 -0.013412 -0.019696 0.026961
+ 373 0.001883 0.002252 -0.003560
+ 374 0.005482 -0.004609 0.002380
+ 375 -0.008048 0.004473 -0.008866
+ 376 -0.002663 0.001073 0.001951
+ 377 0.010178 0.018964 0.000820
+ 378 0.007583 -0.018984 0.016464
+ 379 0.001136 0.007646 0.002719
+ 380 0.006251 0.008125 0.009187
+ 381 0.001284 0.011634 -0.004097
+ 382 -0.000767 0.000265 -0.000818
+ 383 -0.000089 0.001579 -0.002300
+ 384 -0.004565 -0.011251 0.008186
+ 385 0.004778 -0.000871 0.002405
+ 386 0.006618 -0.002801 0.006849
+ 387 0.029884 -0.012377 0.019662
+ 388 -0.002799 -0.005785 0.000693
+ 389 -0.006988 0.014716 -0.008738
+ 390 -0.003130 0.004832 0.002982
+ 391 0.000036 -0.002467 0.000498
+ 392 -0.001382 -0.006847 0.003863
+ 393 -0.003623 0.001391 0.001664
+ 394 0.004431 0.000182 0.002043
+ 395 0.007177 -0.001675 0.008884
+ 396 0.000324 0.003728 0.003379
+ 397 0.004107 -0.000618 0.000098
+ 398 0.019272 -0.008832 -0.013192
+ 399 -0.025041 0.027976 -0.020594
+ 400 0.002982 -0.002889 -0.005826
+ 401 0.010564 -0.003899 -0.002078
+ 402 0.005218 -0.003308 -0.010357
+ 403 0.002304 -0.003833 -0.008812
+ 404 -0.013421 -0.017603 -0.023172
+ 405 -0.003134 -0.000582 0.001712
+ 406 -0.003398 -0.002176 0.001635
+ 407 -0.015813 0.008046 0.010515
+ 408 0.003940 -0.004144 -0.002666
+ 409 0.008428 -0.002203 -0.004077
+ 410 -0.004859 0.004207 -0.016803
+ 411 -0.022714 0.005614 0.004119
+ 412 -0.000677 -0.000486 0.001019
+ 413 0.004137 0.001524 0.004810
+ 414 -0.011495 -0.003293 -0.002498
+ 415 -0.004277 -0.004620 -0.002973
+ 416 0.005727 -0.002611 0.021922
+ 417 0.009759 0.016284 -0.017136
+ 418 0.001140 -0.003169 0.001021
+ 419 0.002072 0.019101 -0.019824
+ 420 0.029356 -0.011686 0.004675
+ 421 0.001175 0.002540 0.001846
+ 422 0.009479 -0.017538 0.002696
+ 423 0.008327 0.028039 -0.001246
+ 424 0.002971 -0.004730 0.000069
+ 425 0.010168 -0.005904 -0.016535
+ 426 0.009223 0.011295 0.006248
+ 427 -0.003323 0.000861 0.005020
+ 428 -0.005244 0.001685 -0.001864
+ 429 0.000994 0.014826 0.000976
+ 430 -0.002795 0.003958 -0.004848
+ 431 0.010698 -0.011688 -0.000537
+ 432 0.008158 0.021591 -0.003259
+ 433 0.000363 0.002223 0.004053
+ 434 -0.002225 0.004315 -0.010042
+ 435 -0.000151 -0.000572 0.000675
+ 436 0.006996 -0.000559 0.003307
+ 437 -0.011410 -0.004708 0.006782
+ 438 -0.015909 0.022113 0.004877
+ 439 -0.002401 -0.002279 0.002655
+ 440 -0.002478 0.000164 0.005849
+ 441 -0.003545 0.002314 0.007358
+ 442 0.002189 0.006935 -0.001251
+ 443 -0.007190 0.031224 0.006804
+ 444 0.004661 -0.003296 0.013412
+ 445 0.003709 0.001514 -0.003921
+ 446 0.015678 0.007604 0.000133
+ 447 -0.004648 -0.004474 -0.027064
+ 448 0.001807 -0.004146 0.004203
+ 449 0.029598 0.003434 0.012408
+ 450 -0.004603 -0.006201 0.002287
+ 451 -0.003031 -0.004136 -0.006564
+ 452 0.009003 0.019264 0.004529
+ 453 -0.000188 0.010449 0.001077
+ 454 0.003891 0.002752 0.005629
+ 455 0.001092 0.012776 0.008682
+ 456 -0.002762 0.015371 -0.005857
+ 457 0.002697 -0.003406 -0.002865
+ 458 0.007823 -0.013511 0.002023
+ 459 -0.030492 -0.008107 -0.020624
+ 460 0.000483 0.001162 0.002651
+ 461 0.002571 -0.007508 -0.009384
+ 462 -0.010774 -0.027329 0.003619
+ 463 0.005791 0.000086 0.004298
+ 464 0.008820 0.016257 -0.002226
+ 465 0.000317 -0.014932 -0.013621
+ 466 0.003540 0.001551 -0.001349
+ 467 0.008241 0.020014 0.019807
+ 468 -0.004258 -0.010227 -0.029599
+ 469 0.007640 0.001287 -0.003128
+ 470 0.004600 -0.001555 -0.010230
+ 471 0.007870 0.002461 0.000094
+ 472 0.001001 0.005160 -0.001529
+ 473 0.006073 0.015127 0.022819
+ 474 0.006356 -0.012345 -0.003131
+ 475 -0.005549 -0.000151 0.001312
+ 476 -0.015747 0.009610 0.004075
+ 477 0.009345 0.004620 -0.013632
+ 478 -0.005694 -0.004777 0.002781
+ 479 -0.015785 0.018249 0.008919
+ 480 0.007264 0.001342 -0.012954
+ 481 -0.002601 -0.003124 -0.001775
+ 482 -0.010924 -0.002942 0.001676
+ 483 0.020644 0.001519 0.001050
+ 484 -0.003829 -0.001681 0.001973
+ 485 -0.009248 -0.008096 0.002166
+ 486 -0.004627 -0.003317 0.000426
+ 487 0.004750 0.008629 -0.001691
+ 488 -0.009177 0.001481 0.019567
+ 489 -0.000748 -0.004703 -0.011184
+ 490 -0.000930 -0.004032 -0.001796
+ 491 -0.007051 -0.001375 -0.004647
+ 492 -0.000505 0.005436 -0.004029
+ 493 -0.000767 -0.000313 -0.004426
+ 494 0.007019 0.022441 0.008035
+ 495 0.002030 -0.018016 0.012244
+ 496 -0.000430 -0.004092 0.001186
+ 497 0.012447 -0.008156 0.016405
+ 498 -0.008008 0.011043 -0.000527
+ 499 0.001752 0.001451 -0.008850
+ 500 -0.001696 0.002950 -0.000035
+ 501 0.006054 -0.001180 -0.028952
+ 502 0.001434 -0.008124 -0.001958
+ 503 0.001762 -0.007034 -0.009244
+ 504 -0.008796 -0.004759 -0.009928
+ 505 0.000249 0.001170 0.006380
+ 506 -0.005081 0.014461 -0.003259
+ 507 -0.002522 0.001324 0.007841
+ 508 0.003441 0.001538 0.006742
+ 509 0.007735 -0.006583 0.003492
+ 510 0.009681 0.006088 0.008608
+ 511 -0.006695 -0.001970 0.000807
+ 512 0.004268 0.004052 0.001263
+ 513 -0.004129 -0.012886 -0.007489
+ 514 -0.002878 0.001158 0.006535
+ 515 -0.007680 -0.001896 0.002953
+ 516 -0.000917 -0.006257 -0.002762
+ 517 -0.001401 -0.003523 -0.005778
+ 518 -0.001854 0.007834 0.015061
+ 519 -0.010095 0.007049 -0.021128
+ 520 -0.000766 -0.000153 0.007009
+ 521 0.009064 -0.003223 0.017921
+ 522 0.000864 -0.000043 0.007876
+ 523 -0.001025 0.001319 -0.006573
+ 524 -0.006395 0.000755 -0.002686
+ 525 -0.032670 0.007943 0.004175
+ 526 0.002953 0.006520 0.004065
+ 527 0.009139 -0.008077 -0.010889
+ 528 -0.002820 0.012454 -0.005504
+ 529 -0.008727 0.003418 0.002451
+ 530 -0.007112 -0.005703 0.023446
+ 531 -0.011285 0.014165 -0.019563
+ 532 -0.002562 0.003192 -0.002295
+ 533 -0.003618 0.007211 0.002298
+ 534 0.010325 0.001834 0.002853
+ 535 0.002563 0.000345 -0.002878
+ 536 0.002396 0.022293 -0.006961
+ 537 0.001693 -0.002677 0.010576
+ 538 -0.001561 0.000734 0.001793
+ 539 -0.008542 0.015338 0.007321
+ 540 -0.015880 0.015140 0.014642
+ 541 0.001092 0.000090 0.000997
+ 542 -0.004522 -0.004004 0.003687
+ 543 0.003258 -0.006156 0.000500
+ 544 -0.001608 0.002026 0.003790
+ 545 -0.010430 -0.004583 0.015482
+ 546 0.002628 0.011416 0.004923
+ 547 -0.002068 0.005845 0.001850
+ 548 0.001194 0.007931 0.007672
+ 549 -0.020261 -0.007195 -0.008896
+ 550 0.005399 0.001999 0.000211
+ 551 0.004420 0.012603 0.006214
+ 552 0.007790 0.005534 0.000006
+ 553 -0.004249 0.001186 -0.000260
+ 554 0.006385 -0.014925 0.000020
+ 555 0.009902 0.016988 -0.004080
+ 556 0.006637 -0.003469 0.000450
+ 557 -0.002010 0.011423 -0.004361
+ 558 -0.009074 0.013716 -0.002539
+ 559 0.003243 -0.003710 -0.002565
+ 560 -0.000480 -0.009433 0.000267
+ 561 0.002981 -0.005587 -0.010088
+ 562 0.002665 0.008169 0.002667
+ 563 -0.001817 0.009035 0.022525
+ 564 0.005689 0.010678 0.000603
+ 565 0.003217 0.002617 0.001072
+ 566 0.025108 0.001061 -0.027288
+ 567 -0.003091 0.028727 0.028529
+ 568 0.003991 -0.002246 0.002528
+ 569 0.011195 -0.007917 0.010511
+ 570 -0.006686 -0.007088 -0.000640
+ 571 0.005302 0.003751 0.001484
+ 572 0.001250 0.007658 -0.006666
+ 573 0.018145 -0.005375 0.000139
+ 574 -0.003857 0.003583 0.000238
+ 575 0.006752 0.001063 0.004538
+ 576 -0.006479 0.014326 -0.017669
+ 577 0.001793 0.003661 0.002509
+ 578 0.010186 -0.003147 0.008687
+ 579 -0.001160 -0.005645 -0.003812
+ 580 -0.002296 0.006997 0.000837
+ 581 -0.031138 0.017223 0.000984
+ 582 0.002587 -0.007480 0.015277
+ 583 0.000288 -0.000668 0.001548
+ 584 0.016041 -0.004051 0.004629
+ 585 -0.025116 0.003224 0.009356
+ 586 -0.000853 0.003188 0.004014
+ 587 -0.001700 -0.004491 0.006716
+ 588 -0.008947 -0.009004 -0.023328
+ 589 0.005432 -0.003893 -0.001000
+ 590 -0.019524 0.021049 -0.035976
+ 591 0.009404 0.004475 -0.004525
+ 592 -0.006508 -0.002709 0.000481
+ 593 0.010852 -0.015643 0.005754
+ 594 0.006526 0.026156 0.009018
+ 595 -0.004611 -0.001841 0.002205
+ 596 -0.013411 -0.011893 -0.011510
+ 597 -0.002150 -0.000804 -0.006730
+ 598 -0.002593 -0.000356 0.003104
+ 599 0.009483 0.002951 -0.001362
+ 600 -0.015523 -0.003843 0.010828
+ 601 -0.001229 0.003953 0.000471
+ 602 -0.017788 0.002114 0.033354
+ 603 0.015187 -0.017947 -0.007994
+ 604 -0.001335 -0.000196 0.007281
+ 605 0.015188 0.007448 0.005030
+ 606 -0.001538 0.002386 -0.009662
+ 607 -0.001172 0.004261 0.002894
+ 608 -0.002229 0.015661 0.009134
+ 609 0.017428 0.004976 0.006974
+ 610 -0.001490 0.003604 0.004586
+ 611 -0.017720 0.006222 -0.023144
+ 612 0.010016 -0.015847 -0.004678
+ 613 -0.002648 0.000934 0.000698
+ 614 -0.011832 0.016782 0.007626
+ 615 -0.005427 0.001385 0.015386
+ 616 0.003669 -0.001949 0.003946
+ 617 0.005164 0.000243 0.009975
+ 618 -0.000161 0.003111 0.001353
+ 619 0.002976 -0.004733 0.001868
+ 620 -0.002832 -0.014197 -0.023534
+ 621 -0.003347 -0.011551 0.000693
+ 622 0.004912 0.001701 -0.000793
+ 623 0.013809 0.007164 -0.016905
+ 624 0.024958 -0.010962 -0.008428
+ 625 0.007422 -0.002948 -0.001308
+ 626 -0.016590 -0.032000 -0.001025
+ 627 0.011367 0.004098 0.010259
+ 628 -0.002045 -0.000742 0.000577
+ 629 -0.030845 0.001448 0.030396
+ 630 0.001781 -0.017639 0.014980
+ 631 0.002233 -0.004427 -0.002429
+ 632 0.018586 -0.001402 0.006993
+ 633 -0.012356 0.003736 0.007796
+ 634 -0.004338 0.007766 0.000310
+ 635 0.001990 0.000209 0.007107
+ 636 -0.006343 0.005190 -0.018263
+ 637 -0.005455 0.000492 -0.002847
+ 638 0.000522 0.006495 0.003755
+ 639 -0.001841 -0.009429 -0.001507
+ 640 -0.002314 -0.002516 -0.005613
+ 641 0.018652 0.002237 -0.015930
+ 642 -0.002326 -0.000776 -0.003132
+ 643 -0.005512 -0.000623 -0.000619
+ 644 -0.001015 0.005882 0.003225
+ 645 0.000586 0.023218 -0.004529
+ 646 -0.001138 0.000800 0.002687
+ 647 0.003627 0.013371 -0.016172
+ 648 0.018968 0.017228 -0.000038
+ 649 -0.002086 -0.000112 -0.007393
+ 650 0.016103 0.035588 0.008775
+ 651 -0.038516 0.012158 -0.009536
+ 652 0.002958 0.004862 -0.007554
+ 653 0.024333 0.013052 -0.023133
+ 654 0.002379 -0.000049 -0.006601
+ 655 0.003804 -0.003076 -0.001112
+ 656 -0.004763 0.002283 -0.025897
+ 657 -0.036538 -0.010672 -0.010599
+ 658 -0.000713 0.003957 0.002151
+ 659 -0.016531 0.001472 0.004862
+ 660 -0.009287 0.028134 0.010480
+ 661 0.004192 -0.003835 0.000568
+ 662 0.011523 0.002433 0.036479
+ 663 -0.009197 -0.041577 0.000393
+ 664 0.000280 -0.002373 -0.004460
+ 665 0.002206 -0.003211 0.000957
+ 666 0.006211 0.013469 -0.005353
+ 667 -0.000522 0.001664 -0.004748
+ 668 0.004459 -0.024042 -0.023029
+ 669 0.011377 0.013403 0.030836
+ 670 0.003382 -0.002813 0.000451
+ 671 0.000766 0.000074 -0.006820
+ 672 0.013252 -0.015598 0.024274
+ 673 -0.003243 0.006406 -0.002570
+ 674 0.019962 -0.008888 -0.019769
+ 675 -0.027628 -0.005508 -0.000297
+ 676 -0.007770 -0.003882 0.002155
+ 677 -0.001777 0.012358 0.000036
+ 678 -0.024978 0.005564 -0.015024
+ 679 0.000188 0.001017 0.004117
+ 680 -0.006440 -0.003105 0.019733
+ 681 -0.016780 0.005575 -0.004078
+ 682 0.000151 0.001697 -0.001387
+ 683 -0.002925 0.000955 -0.004378
+ 684 0.000826 0.008069 0.003052
+ 685 -0.003543 -0.000321 -0.000587
+ 686 -0.012205 0.000432 -0.005990
+ 687 0.004010 0.009678 -0.003793
+ 688 0.001940 -0.000340 0.003900
+ 689 0.005837 0.014815 -0.005621
+ 690 -0.008710 -0.017653 0.020395
+ 691 -0.001931 -0.003975 -0.002577
+ 692 -0.003368 -0.014386 -0.006878
+ 693 -0.013782 -0.002984 0.003522
+ 694 0.004968 -0.000283 -0.003322
+ 695 0.019160 0.006665 -0.007077
+ 696 0.022604 -0.000847 -0.016983
+ 697 0.002571 0.000550 -0.007379
+ 698 -0.001443 -0.002487 -0.007727
+ 699 -0.011487 -0.013883 0.019460
+ 700 0.001096 -0.004750 0.003965
+ 701 -0.016603 -0.010473 0.014272
+ 702 0.023559 -0.001392 -0.008500
+ 703 -0.002022 -0.005262 -0.004485
+ 704 0.002332 -0.014942 -0.004917
+ 705 -0.009402 0.006267 -0.002020
+ 706 -0.000288 0.003264 -0.003564
+ 707 0.004565 0.033122 -0.006655
+ 708 -0.018922 -0.009521 0.000208
+ 709 -0.003485 0.003285 -0.000556
+ 710 0.004587 -0.002798 -0.000984
+ 711 -0.006054 0.007231 -0.001425
+ 712 0.004718 0.000201 -0.003948
+ 713 -0.014114 0.009800 -0.004955
+ 714 -0.008099 -0.004168 0.008689
+ 715 0.000410 -0.000654 0.009605
+ 716 0.008711 0.018707 0.002740
+ 717 0.003459 -0.008185 0.010239
+ 718 0.003479 0.000757 0.004467
+ 719 0.000433 -0.000495 0.007710
+ 720 0.012945 0.003286 -0.002052
+ 721 -0.010010 -0.003567 0.006956
+ 722 0.005307 -0.001615 -0.002198
+ 723 -0.012515 0.011984 0.016669
+ 724 0.001378 -0.002186 -0.001614
+ 725 0.012587 -0.019891 0.012237
+ 726 0.012601 0.007024 0.014776
+ 727 -0.002983 -0.001722 -0.004228
+ 728 0.015268 -0.011359 -0.002815
+ 729 -0.003967 0.028638 0.000653
+ 730 -0.000313 -0.000495 0.001546
+ 731 -0.030938 -0.009463 -0.008649
+ 732 -0.033474 -0.019299 0.015331
+ 733 0.000845 -0.003919 -0.003202
+ 734 -0.027178 0.011071 -0.026350
+ 735 -0.007741 0.001470 -0.016184
+ 736 -0.001239 0.001989 -0.002789
+ 737 0.011285 0.001382 -0.006222
+ 738 0.022813 -0.006205 -0.006536
+ 739 0.003987 -0.004190 -0.005010
+ 740 -0.007915 0.002670 -0.013878
+ 741 0.004194 0.006086 -0.010350
+ 742 0.006539 -0.005074 0.002196
+ 743 0.015306 0.008181 0.005081
+ 744 0.007865 0.003022 -0.004716
+ 745 -0.001784 -0.010062 0.004309
+ 746 -0.002378 -0.011275 0.006933
+ 747 -0.008336 -0.001053 0.004620
+ 748 -0.002979 0.004768 -0.002497
+ 749 -0.000959 0.004004 -0.002600
+ 750 -0.019512 -0.002978 0.005044
+ 751 -0.004903 -0.000550 0.000659
+ 752 -0.005086 0.005639 -0.022167
+ 753 -0.008131 0.001631 -0.018889
+ 754 -0.001761 -0.001628 0.000503
+ 755 -0.003957 -0.007199 -0.006609
+ 756 0.003155 -0.001306 0.005143
+ 757 0.000937 0.008247 -0.008723
+ 758 0.028994 0.004889 0.007225
+ 759 -0.000469 -0.025903 0.001925
+ 760 -0.001834 -0.000370 -0.001605
+ 761 0.007234 -0.001225 -0.019036
+ 762 -0.003442 -0.001966 0.000209
+ 763 0.000445 0.007510 0.001158
+ 764 -0.008348 0.004439 -0.007776
+ 765 -0.012793 0.011539 0.019680
+ 766 0.000065 -0.000962 -0.004032
+ 767 -0.002013 -0.005477 0.003901
+ 768 0.003529 0.021570 0.007224
+ 769 -0.002661 0.002604 -0.003268
+ 770 0.005668 -0.003962 -0.004196
+ 771 -0.003633 0.008263 -0.012842
+ 772 0.001811 0.001915 0.002764
+ 773 0.007995 -0.017893 0.012738
+ 774 -0.018466 -0.002519 -0.001997
+ 775 -0.002231 0.000080 0.000338
+ 776 -0.020092 -0.012422 0.010443
+ 777 0.017610 0.006562 -0.019411
+ 778 -0.001733 0.005494 0.004582
+ 779 0.013495 0.017522 0.004058
+ 780 0.014733 0.026971 -0.010419
+ 781 0.001950 0.000577 -0.000870
+ 782 -0.025830 0.001269 0.005271
+ 783 0.007534 -0.015453 0.006553
+ 784 0.004959 0.000931 -0.005022
+ 785 -0.008754 0.005835 0.049441
+ 786 0.010447 0.012462 0.001546
+ 787 -0.001107 0.002522 0.000433
+ 788 0.009871 0.011686 0.008446
+ 789 -0.006988 0.002247 0.021211
+ 790 0.004245 0.001822 -0.000253
+ 791 0.000153 -0.002603 0.008675
+ 792 0.006252 0.003177 -0.013109
+ 793 -0.002534 0.003863 0.000617
+ 794 -0.000057 0.004391 -0.016346
+ 795 0.005974 -0.000584 -0.004834
+ 796 0.001827 -0.002339 -0.002010
+ 797 -0.023150 0.007693 0.012507
+ 798 0.012203 0.000464 -0.020004
+ 799 -0.000293 -0.001883 -0.002470
+ 800 -0.004248 0.006084 0.002613
+ 801 -0.013517 0.015693 0.003574
+ 802 -0.009450 0.005229 -0.003400
+ 803 -0.015058 -0.007700 0.001796
+ 804 -0.000196 -0.003546 0.002537
+ 805 0.008758 -0.003257 0.005431
+ 806 0.012998 -0.011952 -0.017276
+ 807 0.008558 -0.002765 0.006723
+ 808 -0.001470 -0.000539 0.002965
+ 809 0.024028 -0.019423 -0.012788
+ 810 0.003892 0.003966 -0.001573
+ 811 0.000254 0.001510 0.000089
+ 812 0.024395 0.007424 -0.013783
+ 813 0.006830 0.017138 0.017010
+ 814 -0.001535 -0.003749 -0.001708
+ 815 0.013748 -0.018314 -0.006646
+ 816 0.003900 0.002047 0.006451
+ 817 0.006585 0.003832 -0.000629
+ 818 0.021540 0.003252 0.001280
+ 819 0.007897 0.007247 -0.003727
+ 820 -0.002115 -0.002434 -0.005025
+ 821 -0.016735 0.003360 -0.019137
+ 822 0.003237 -0.017804 -0.004111
+ 823 -0.003907 0.002878 -0.003988
+ 824 -0.005419 -0.002010 -0.004476
+ 825 -0.006449 0.003104 -0.002766
+ 826 -0.013638 -0.002258 -0.002448
+ 827 -0.007838 0.000023 -0.005866
+ 828 -0.006633 0.001312 -0.008943
+ 829 0.001696 0.003761 -0.002125
+ 830 -0.001113 -0.010288 -0.008692
+ 831 0.010380 0.008838 -0.015548
+ 832 -0.003164 0.004544 -0.002070
+ 833 -0.001495 -0.013094 -0.000890
+ 834 0.011945 -0.015741 -0.003378
+ 835 -0.008802 -0.001939 -0.005442
+ 836 -0.002949 -0.007279 -0.004665
+ 837 0.008414 -0.021459 -0.000948
+ 838 0.001330 0.000622 0.000916
+ 839 -0.001965 0.001331 0.006138
+ 840 0.003081 -0.004825 0.007272
+ 841 0.001557 -0.005770 -0.001563
+ 842 0.014285 0.020628 -0.029634
+ 843 -0.006815 0.003616 0.008747
+ 844 0.001116 -0.003881 -0.003556
+ 845 0.008316 -0.005783 -0.005256
+ 846 -0.011615 0.015346 0.026431
+ 847 0.004309 0.003546 -0.004311
+ 848 0.007868 -0.013572 0.000073
+ 849 -0.011699 0.005875 0.003604
+ 850 0.000505 -0.004069 -0.002113
+ 851 0.001211 -0.005770 -0.003436
+ 852 -0.004651 0.001028 0.007154
+ 853 -0.003913 -0.006795 -0.004733
+ 854 -0.004339 -0.014527 -0.023555
+ 855 -0.006756 -0.006056 -0.008714
+ 856 0.007493 0.001588 -0.006408
+ 857 0.020526 0.022065 -0.006921
+ 858 0.010862 0.004031 -0.001655
+ 859 0.003459 -0.001125 -0.001494
+ 860 -0.000710 0.004855 0.022662
+ 861 -0.000022 0.009082 0.012428
+ 862 -0.000591 0.002648 0.002517
+ 863 0.017910 0.003993 0.005847
+ 864 -0.004999 0.014284 -0.016199
+ 865 -0.001700 -0.002300 0.001206
+ 866 -0.016994 -0.008747 -0.012103
+ 867 -0.008118 -0.008616 0.003715
+ 868 -0.002056 -0.003732 -0.006667
+ 869 -0.002586 -0.005666 -0.002032
+ 870 -0.002179 -0.001361 -0.001378
+ 871 0.001952 0.000747 -0.004175
+ 872 -0.000006 -0.004573 0.003592
+ 873 -0.004377 -0.012174 0.000091
+ 874 -0.006945 -0.004708 0.004295
+ 875 -0.011724 -0.010397 0.002368
+ 876 0.006805 0.012734 0.019238
+ 877 0.004959 0.005871 -0.001277
+ 878 -0.012228 -0.000867 -0.006672
+ 879 0.014516 0.032640 0.025985
+ 880 0.000767 -0.000179 0.004816
+ 881 0.006242 0.002132 0.007465
+ 882 0.006812 0.003103 0.007707
+ 883 0.005120 -0.003059 -0.001062
+ 884 -0.008255 -0.016076 -0.002362
+ 885 -0.001789 -0.014152 -0.001194
+ 886 -0.009000 0.001340 0.001690
+ 887 -0.020559 -0.017599 0.000329
+ 888 -0.003544 -0.006539 0.004087
+ 889 -0.000933 0.000538 -0.001999
+ 890 0.032797 0.013397 0.000525
+ 891 -0.012354 -0.008526 -0.038077
+ 892 0.002953 -0.002317 -0.004454
+ 893 -0.029479 -0.014864 0.005868
+ 894 0.019223 0.000709 -0.013773
+ 895 0.002346 -0.003694 -0.004486
+ 896 -0.005275 -0.001221 -0.010755
+ 897 0.010883 0.001918 -0.002099
+ 898 -0.000263 -0.000830 0.005518
+ 899 0.000399 -0.005578 0.011643
+ 900 -0.007207 -0.006080 -0.006632
+ 901 -0.000868 0.002637 -0.000416
+ 902 -0.003601 0.001456 0.001019
+ 903 0.003465 0.009000 0.002627
+ 904 -0.005492 0.001153 0.005034
+ 905 0.008501 0.009963 0.005133
+ 906 0.002740 0.005510 0.005387
+ 907 0.001230 0.003701 -0.010904
+ 908 0.005640 0.000943 -0.026378
+ 909 -0.001655 0.006661 0.001080
+ 910 0.000417 -0.004485 0.000899
+ 911 0.004051 -0.003590 0.002016
+ 912 0.010109 -0.002124 0.001500
+ 913 0.002439 0.006335 0.003103
+ 914 -0.006325 0.005901 0.006397
+ 915 0.008058 0.002545 0.004591
+ 916 -0.001774 -0.003954 -0.005522
+ 917 -0.001697 -0.002110 -0.006988
+ 918 0.000641 -0.012660 -0.001878
+ 919 0.000840 0.002158 -0.002127
+ 920 -0.006972 -0.005865 -0.019536
+ 921 -0.009078 -0.009093 0.005319
+ 922 -0.002466 0.001612 -0.002348
+ 923 -0.007997 0.000173 -0.007016
+ 924 -0.005167 0.000122 -0.004809
+ 925 0.000182 0.007626 -0.005820
+ 926 -0.000187 0.006758 -0.004766
+ 927 -0.005146 0.010941 -0.001145
+ 928 -0.001035 0.003329 -0.000156
+ 929 -0.002925 0.005286 0.005381
+ 930 -0.007353 0.014383 0.015446
+ 931 0.001566 0.003779 -0.001844
+ 932 0.014111 -0.006162 0.016836
+ 933 -0.008051 -0.000942 0.006114
+ 934 0.000472 0.000581 0.003898
+ 935 0.010438 -0.015336 0.026259
+ 936 -0.009803 0.018803 -0.011113
+ 937 -0.002622 0.001845 -0.004649
+ 938 0.000192 0.006195 -0.003034
+ 939 -0.004379 0.004856 -0.008876
+ 940 0.005312 -0.005320 -0.000644
+ 941 0.004197 0.002434 0.005873
+ 942 0.001054 -0.002144 -0.009156
+ 943 0.001818 0.002764 0.000410
+ 944 0.002489 0.005354 -0.014128
+ 945 0.003819 0.010472 0.007403
+ 946 0.005262 -0.000699 0.001191
+ 947 -0.002052 -0.008290 0.017377
+ 948 -0.012921 -0.009037 0.007720
+ 949 0.002875 -0.000206 -0.005514
+ 950 0.004620 -0.003924 -0.007344
+ 951 0.004396 0.015332 -0.008395
+ 952 -0.001773 -0.005567 0.004807
+ 953 0.014650 -0.004337 0.011316
+ 954 0.007355 -0.004603 0.004796
+ 955 0.001050 0.002663 -0.000049
+ 956 -0.000422 0.019759 -0.003121
+ 957 -0.011736 0.001700 0.005445
+ 958 0.002314 -0.007359 0.001422
+ 959 0.000226 -0.009157 0.011161
+ 960 0.002971 -0.007641 -0.001658
+ 961 0.002025 0.003310 0.000085
+ 962 0.003783 0.005544 -0.002440
+ 963 -0.003390 -0.001680 0.007759
+ 964 -0.000259 -0.001517 -0.001671
+ 965 -0.009891 -0.000275 0.002930
+ 966 -0.004798 -0.018121 0.000493
+ 967 0.002742 0.002196 0.002639
+ 968 -0.032110 0.008681 0.017593
+ 969 -0.005767 -0.003804 -0.003447
+ 970 -0.001025 -0.001901 0.007377
+ 971 -0.025416 -0.005633 -0.009650
+ 972 -0.002448 -0.002342 0.009184
+ 973 0.000510 -0.004313 0.003297
+ 974 -0.004244 -0.006185 -0.015114
+ 975 0.002817 0.008222 0.025232
+ 976 -0.005979 0.000432 0.003264
+ 977 0.000348 0.000126 0.007237
+ 978 -0.031461 0.008376 -0.002490
+ 979 -0.003066 -0.005264 0.001528
+ 980 0.000500 -0.005194 -0.000082
+ 981 -0.006145 0.003915 -0.013465
+ 982 -0.002081 -0.001596 0.001268
+ 983 0.004918 -0.004802 -0.009499
+ 984 -0.008729 0.005751 0.010881
+ 985 0.002456 -0.001947 -0.001558
+ 986 -0.006566 -0.000024 0.003315
+ 987 0.007532 0.005898 -0.002575
+ 988 -0.004247 -0.003264 -0.000409
+ 989 0.002165 -0.007499 0.004990
+ 990 -0.000419 0.003692 -0.004472
+ 991 -0.001571 -0.000159 -0.000431
+ 992 0.005413 0.009517 0.004397
+ 993 -0.002643 -0.002292 -0.001478
+ 994 -0.003884 0.005066 -0.000457
+ 995 0.006816 0.009263 -0.003376
+ 996 -0.007273 0.011919 0.000514
+ 997 0.000030 0.001409 0.005477
+ 998 0.005334 -0.020033 0.004464
+ 999 0.016228 0.009598 -0.007106
+ 1000 -0.002283 -0.004481 0.001317
+ 1001 -0.002631 -0.006631 -0.004233
+ 1002 0.004184 0.000805 0.014756
+ 1003 0.000408 -0.003693 0.003308
+ 1004 0.004530 -0.006410 -0.006453
+ 1005 -0.004928 -0.003846 0.015168
+ 1006 0.003101 -0.001511 0.005308
+ 1007 0.014081 -0.002443 0.012313
+ 1008 0.002846 0.010440 -0.000376
+ 1009 0.003569 -0.002175 -0.006662
+ 1010 -0.008368 -0.011644 -0.006989
+ 1011 0.019824 -0.004949 -0.018661
+ 1012 0.003202 -0.011850 0.003160
+ 1013 0.014918 -0.009378 0.018579
+ 1014 -0.002594 0.004575 -0.001959
+ 1015 -0.002298 0.000413 -0.003910
+ 1016 0.012837 -0.003799 -0.015681
+ 1017 -0.005955 -0.000660 0.004171
+ 1018 0.001582 0.000975 0.000146
+ 1019 0.006776 -0.014144 -0.007821
+ 1020 0.004234 -0.001693 -0.007198
+ 1021 -0.001802 -0.002656 0.003257
+ 1022 0.028537 0.012512 0.005966
+ 1023 -0.000026 -0.011732 -0.013572
+ 1024 0.006685 0.008417 -0.002619
+ 1025 -0.018380 0.006240 0.006444
+ 1026 0.014195 0.009753 -0.004447
+ 1027 -0.000769 -0.006799 -0.003510
+ 1028 -0.003532 0.013774 -0.009337
+ 1029 0.005263 0.018084 -0.010946
+ 1030 0.004102 0.004262 -0.002426
+ 1031 -0.003256 -0.005354 0.003498
+ 1032 -0.021894 -0.003478 0.016467
+ 1033 0.001456 -0.004355 -0.002070
+ 1034 -0.005859 -0.004113 -0.005871
+ 1035 -0.005758 -0.006886 -0.016585
+ 1036 0.001562 0.006459 -0.000209
+ 1037 0.001331 0.004667 0.000892
+ 1038 0.012898 0.027063 -0.008125
+ 1039 0.002117 0.007131 0.002457
+ 1040 0.026605 0.010046 0.019045
+ 1041 -0.017364 0.007077 -0.014953
+ 1042 -0.000452 0.009291 0.004625
+ 1043 -0.011059 0.009571 0.015357
+ 1044 0.027928 -0.000208 0.009437
+ 1045 0.003475 -0.004274 -0.000546
+ 1046 0.012160 -0.001385 -0.006922
+ 1047 -0.016274 -0.008100 -0.006675
+ 1048 -0.003853 -0.003278 -0.001388
+ 1049 0.014697 -0.003341 -0.007454
+ 1050 0.011346 -0.009086 -0.006461
+ 1051 -0.001161 -0.003940 -0.002833
+ 1052 0.011182 0.001281 -0.000803
+ 1053 -0.001345 -0.002375 -0.003580
+ 1054 0.004028 0.002256 0.000990
+ 1055 0.013302 0.008212 -0.007566
+ 1056 0.029179 -0.014499 0.008878
+ 1057 0.000706 0.001652 0.001826
+ 1058 0.000498 -0.007266 0.024956
+ 1059 0.001324 -0.008155 0.011295
+ 1060 0.000971 -0.006253 -0.004688
+ 1061 -0.004746 -0.005680 -0.016047
+ 1062 -0.000356 -0.009050 -0.006561
+ 1063 -0.000866 0.005460 0.000045
+ 1064 -0.006882 0.011747 0.020163
+ 1065 -0.000733 0.001409 -0.010900
+ 1066 -0.003804 0.003558 0.001444
+ 1067 0.004513 0.002071 -0.017536
+ 1068 -0.000869 -0.002704 -0.014336
+ 1069 -0.003015 0.003241 -0.002075
+ 1070 0.003734 -0.005456 -0.000879
+ 1071 -0.006686 -0.008010 -0.008654
+ 1072 -0.000541 -0.003669 -0.004373
+ 1073 0.003151 -0.002513 -0.013951
+ 1074 0.003979 -0.005557 0.002931
+ 1075 -0.005175 -0.004387 0.000228
+ 1076 -0.005613 -0.012392 -0.029351
+ 1077 0.009704 0.009953 -0.015680
+ 1078 -0.000915 0.003660 -0.003078
+ 1079 0.002529 0.001465 0.006987
+ 1080 0.000880 0.001866 -0.004217
+ 1081 0.000835 -0.000410 0.000029
+ 1082 0.003324 -0.009356 0.012151
+ 1083 -0.000797 0.009753 -0.012613
+ 1084 0.004557 -0.006851 0.000257
+ 1085 0.014378 -0.010986 -0.004036
+ 1086 0.001889 0.001865 0.000904
+ 1087 0.003881 0.000306 -0.000266
+ 1088 0.006043 -0.030376 0.018797
+ 1089 -0.001012 -0.002296 0.000324
+ 1090 0.007042 0.008682 0.007323
+ 1091 0.010016 0.002442 -0.028255
+ 1092 -0.004827 0.009414 -0.012200
+ 1093 0.002178 0.003272 0.000190
+ 1094 0.003486 0.001815 -0.002585
+ 1095 0.006020 0.002953 -0.010998
+ 1096 0.002573 -0.000704 0.002051
+ 1097 -0.010233 0.004335 0.005568
+ 1098 0.003397 0.002649 0.010631
+ 1099 -0.000367 -0.008657 0.004003
+ 1100 0.006810 -0.008282 0.003316
+ 1101 -0.008301 -0.011638 -0.006525
+ 1102 -0.001900 -0.008810 0.001531
+ 1103 0.003628 0.008111 0.009571
+ 1104 0.017147 0.000173 0.003988
+ 1105 0.006161 0.005444 0.001389
+ 1106 -0.033784 0.028714 -0.002486
+ 1107 0.022179 0.015181 0.025221
+ 1108 0.002935 0.001125 -0.009560
+ 1109 0.013392 0.009490 0.002655
+ 1110 0.015380 -0.002935 -0.004728
+ 1111 0.002760 -0.001052 0.002516
+ 1112 -0.006737 0.002302 0.012384
+ 1113 -0.004649 -0.009652 -0.009326
+ 1114 -0.003333 0.004385 -0.006004
+ 1115 -0.014175 0.007089 0.000199
+ 1116 0.009875 0.004925 0.012791
+ 1117 -0.004828 0.000366 0.001718
+ 1118 0.009618 -0.007069 -0.012330
+ 1119 -0.021489 -0.009155 -0.001603
+ 1120 -0.001360 0.002089 -0.003585
+ 1121 0.003530 -0.001847 0.010254
+ 1122 0.016468 0.005240 -0.014692
+ 1123 0.001989 -0.000949 0.003286
+ 1124 0.022107 -0.012110 -0.007316
+ 1125 0.012518 -0.010337 0.015891
+ 1126 0.000850 -0.001413 -0.001737
+ 1127 -0.014943 0.000360 -0.000490
+ 1128 -0.027983 -0.005206 0.004037
+ 1129 0.011232 0.000349 -0.006679
+ 1130 -0.005484 -0.003095 -0.004430
+ 1131 -0.005050 -0.002005 -0.015837
+ 1132 -0.000470 0.001924 0.001131
+ 1133 -0.016506 0.005240 0.008171
+ 1134 0.011977 -0.012388 0.003671
+ 1135 -0.000818 0.001081 0.001571
+ 1136 0.009956 -0.006601 -0.002667
+ 1137 -0.013344 0.009962 -0.000602
+ 1138 -0.004379 0.004681 0.005655
+ 1139 -0.022717 0.009805 -0.016911
+ 1140 -0.017223 0.002867 0.018671
+ 1141 -0.000339 -0.000149 -0.001276
+ 1142 0.002292 0.016872 -0.004987
+ 1143 -0.012964 -0.000693 -0.007140
+ 1144 -0.002149 0.004008 -0.001355
+ 1145 0.012575 0.018012 -0.011467
+ 1146 -0.018572 0.011663 -0.005755
+ 1147 0.000951 -0.000232 0.005705
+ 1148 0.001030 -0.002411 0.005162
+ 1149 -0.004871 0.010528 0.006213
+ 1150 -0.003431 0.005236 0.003321
+ 1151 -0.006083 0.008172 0.003730
+ 1152 0.021201 0.002738 -0.026021
+ 1153 -0.000559 -0.001274 0.002074
+ 1154 -0.000342 -0.008595 -0.003314
+ 1155 -0.004563 0.013150 0.001114
+ 1156 0.002547 -0.003346 0.000793
+ 1157 -0.004000 0.002915 0.001908
+ 1158 0.008526 -0.013385 0.001263
+ 1159 0.003331 -0.001629 -0.001592
+ 1160 0.012216 0.004263 0.001290
+ 1161 -0.024729 0.027722 0.012828
+ 1162 -0.004556 0.005331 -0.000790
+ 1163 -0.001260 0.004809 0.012624
+ 1164 0.009151 0.007740 0.005908
+ 1165 0.006739 -0.002486 0.000962
+ 1166 0.002801 -0.001010 0.007063
+ 1167 0.006266 -0.009780 0.000447
+ 1168 -0.001756 -0.006121 -0.000399
+ 1169 0.002128 0.011752 0.003187
+ 1170 -0.000744 -0.004455 -0.001624
+ 1171 -0.003120 -0.007987 0.008768
+ 1172 -0.001279 -0.014309 0.014916
+ 1173 -0.003496 -0.005392 0.006518
+ 1174 -0.005252 -0.000094 0.002610
+ 1175 -0.004319 0.000327 0.003799
+ 1176 0.014469 -0.001407 -0.023557
+ 1177 -0.001733 0.011173 0.001097
+ 1178 0.019607 0.000729 -0.008577
+ 1179 -0.013430 0.021297 -0.011104
+ 1180 0.005550 -0.002953 -0.004489
+ 1181 -0.021164 -0.004283 0.009224
+ 1182 0.020762 -0.011806 0.008058
+ 1183 -0.003934 -0.006346 0.000789
+ 1184 -0.004154 -0.012917 -0.000804
+ 1185 0.001834 -0.003234 0.006486
+ 1186 -0.003359 -0.000166 0.000482
+ 1187 -0.010938 -0.009570 0.011838
+ 1188 -0.006339 -0.002743 -0.017319
+ 1189 -0.002008 -0.000238 -0.002842
+ 1190 0.009730 0.002797 -0.000255
+ 1191 0.004802 0.018470 -0.005529
+ 1192 0.002978 0.003254 0.000406
+ 1193 0.001762 -0.016118 0.017481
+ 1194 0.009625 0.005549 -0.002833
+ 1195 -0.005277 -0.000015 -0.004247
+ 1196 0.008535 -0.018189 -0.023760
+ 1197 -0.020839 0.008581 0.007193
+ 1198 0.001976 -0.001531 0.001386
+ 1199 -0.012488 -0.005613 0.004418
+ 1200 0.012387 0.001324 -0.002579
+ 1201 0.004612 0.001574 0.002430
+ 1202 0.004011 0.024078 0.008286
+ 1203 0.028635 -0.001749 -0.000378
+ 1204 -0.001292 -0.004163 0.001688
+ 1205 0.018917 -0.005327 -0.022863
+ 1206 -0.021498 0.026796 -0.015481
+ 1207 -0.004360 -0.003023 -0.007483
+ 1208 0.015222 -0.007834 -0.014901
+ 1209 -0.015487 -0.004003 -0.024684
+ 1210 0.000162 -0.000232 -0.002511
+ 1211 0.005663 0.001759 0.003041
+ 1212 -0.026577 0.001752 0.009499
+ 1213 -0.002118 -0.004800 0.002106
+ 1214 0.012772 0.013880 -0.004149
+ 1215 0.008831 0.004495 0.004278
+ 1216 -0.001002 0.000396 0.000450
+ 1217 0.001493 -0.000300 0.006615
+ 1218 0.022789 -0.011336 -0.001626
+ 1219 -0.002165 0.002305 -0.004399
+ 1220 -0.001727 0.010653 0.006150
+ 1221 0.001799 -0.000399 -0.015101
+ 1222 -0.002535 -0.001664 0.000167
+ 1223 -0.007939 0.009699 -0.003581
+ 1224 -0.009214 -0.009452 -0.003331
+ 1225 -0.002745 0.003249 0.011490
+ 1226 0.010727 -0.015563 0.011870
+ 1227 -0.003771 0.013856 -0.015486
+ 1228 -0.000932 0.001513 0.000721
+ 1229 -0.002528 0.000192 0.015301
+ 1230 -0.027023 -0.007231 0.009659
+ 1231 -0.005525 0.001099 -0.001369
+ 1232 -0.002318 -0.008510 -0.009719
+ 1233 -0.005945 -0.008347 0.009845
+ 1234 -0.000817 -0.006097 -0.001394
+ 1235 0.026844 0.005400 -0.013998
+ 1236 -0.019837 0.017329 -0.010038
+ 1237 -0.002691 -0.005371 -0.000786
+ 1238 -0.007304 -0.006372 0.007409
+ 1239 -0.014066 -0.005252 0.014237
+ 1240 -0.000660 -0.004157 -0.007445
+ 1241 -0.015343 -0.015681 0.000525
+ 1242 -0.004856 0.008296 -0.020506
+ 1243 -0.000451 -0.006253 0.005274
+ 1244 -0.016626 -0.024128 0.003146
+ 1245 0.003430 -0.001516 0.006995
+ 1246 0.002369 0.000761 -0.000692
+ 1247 -0.011034 0.017913 -0.003576
+ 1248 0.014886 0.005052 0.010870
+ 1249 0.000976 0.003044 0.004043
+ 1250 0.002084 0.009119 -0.003484
+ 1251 -0.004682 -0.003095 0.024419
+ 1252 -0.001872 0.005519 -0.003878
+ 1253 0.014045 0.004474 0.006660
+ 1254 -0.006683 -0.012923 -0.006357
+ 1255 -0.007125 -0.002296 0.002894
+ 1256 -0.009126 -0.000293 0.008175
+ 1257 -0.005668 -0.002902 -0.000640
+ 1258 -0.009805 0.000500 -0.001546
+ 1259 -0.007254 -0.007274 0.010849
+ 1260 0.005786 0.004719 0.004479
+ 1261 0.000767 -0.007091 -0.002809
+ 1262 -0.010861 -0.024470 -0.006678
+ 1263 0.010352 0.003874 -0.018616
+ 1264 -0.001332 -0.000776 -0.001533
+ 1265 0.005055 -0.002761 -0.000154
+ 1266 0.001293 -0.010766 0.003695
+ 1267 0.004101 0.005423 0.004161
+ 1268 -0.006495 -0.001645 0.007645
+ 1269 0.024277 0.000761 0.018148
+ 1270 0.000384 -0.004677 0.001777
+ 1271 -0.000305 -0.022286 0.006378
+ 1272 0.014900 -0.009298 0.005029
+ 1273 -0.002201 -0.002422 -0.001266
+ 1274 0.002419 0.000621 -0.006170
+ 1275 0.002242 -0.003567 -0.006329
+ 1276 0.001155 0.006214 -0.002164
+ 1277 -0.025679 0.011598 0.001775
+ 1278 -0.016652 0.005061 0.002255
+ 1279 -0.000163 0.000193 -0.001041
+ 1280 -0.002822 -0.004131 -0.007696
+ 1281 -0.007029 0.005316 -0.012422
+ 1282 -0.001259 -0.001443 0.001295
+ 1283 -0.000992 -0.027820 -0.000474
+ 1284 -0.012190 -0.043729 -0.008054
+ 1285 -0.001840 -0.001572 0.001104
+ 1286 0.008311 0.001263 -0.001841
+ 1287 0.001277 0.000429 -0.007113
+ 1288 -0.005029 -0.002280 -0.002761
+ 1289 -0.024723 0.012515 -0.012864
+ 1290 -0.013845 -0.020399 0.001674
+ 1291 -0.000161 0.002303 0.004199
+ 1292 -0.010956 -0.010528 0.017163
+ 1293 0.023554 -0.006815 0.021159
+ 1294 0.000772 -0.000829 0.004462
+ 1295 0.024106 -0.007189 -0.017980
+ 1296 -0.011795 0.000225 0.018351
+ 1297 -0.002503 0.000288 -0.000931
+ 1298 -0.001901 -0.006775 -0.001166
+ 1299 -0.002626 0.004209 -0.000596
+ 1300 -0.003248 -0.009856 0.001496
+ 1301 -0.008616 0.000206 -0.000660
+ 1302 0.012991 -0.001944 0.010735
+ 1303 0.000183 0.003767 -0.002207
+ 1304 0.002875 0.006021 0.006091
+ 1305 -0.003343 -0.008883 0.015455
+ 1306 -0.003761 0.009400 -0.007147
+ 1307 -0.002601 -0.012510 0.005900
+ 1308 -0.013464 0.021935 0.006364
+ 1309 0.007717 -0.006568 -0.004280
+ 1310 0.004551 -0.013432 0.001741
+ 1311 0.016676 -0.009730 -0.005415
+ 1312 -0.003518 -0.000115 0.000120
+ 1313 -0.018566 -0.004441 0.007076
+ 1314 0.011422 0.004168 0.013848
+ 1315 -0.002232 0.003004 -0.005210
+ 1316 -0.004985 -0.000655 -0.007286
+ 1317 -0.004756 0.005461 -0.010032
+ 1318 0.003296 -0.000345 0.003797
+ 1319 0.000013 0.003387 0.009258
+ 1320 -0.001175 0.009021 0.016554
+ 1321 0.004610 0.000563 0.001890
+ 1322 0.001511 0.004957 0.010795
+ 1323 -0.000517 0.009529 0.012695
+ 1324 0.003561 -0.002127 -0.002139
+ 1325 -0.016355 -0.004573 0.011414
+ 1326 0.002437 -0.000969 0.003958
+ 1327 -0.003191 0.002772 0.003706
+ 1328 0.002188 0.004078 0.024902
+ 1329 0.005804 0.008997 0.000514
+ 1330 0.000169 -0.001823 0.006601
+ 1331 -0.012837 0.016738 0.032499
+ 1332 -0.003787 -0.003993 0.005792
+ 1333 -0.006500 -0.001952 -0.005568
+ 1334 0.004632 0.002607 -0.001417
+ 1335 0.007826 -0.018417 0.003893
+ 1336 0.001400 0.000629 -0.002329
+ 1337 -0.026090 -0.010827 -0.007428
+ 1338 0.014757 0.003359 0.005866
+ 1339 0.005344 0.002452 0.000637
+ 1340 0.002304 0.001516 0.008371
+ 1341 0.003116 0.003502 0.000920
+ 1342 0.000219 0.006872 -0.006361
+ 1343 0.004872 0.004948 -0.015461
+ 1344 0.002293 0.008990 -0.007103
+ 1345 -0.000248 -0.001405 -0.000404
+ 1346 0.016050 0.005473 0.014883
+ 1347 0.000661 0.010958 0.009762
+ 1348 0.002507 0.004854 0.004016
+ 1349 -0.000026 0.005865 -0.004933
+ 1350 -0.003541 0.012071 0.011984
+ 1351 -0.000388 -0.001662 -0.002624
+ 1352 -0.008781 0.002236 0.005933
+ 1353 -0.002303 0.010321 -0.013971
+ 1354 0.000266 0.005381 0.006218
+ 1355 -0.030793 -0.017551 0.006520
+ 1356 -0.001710 0.006198 0.003481
+ 1357 -0.000575 0.000387 0.003498
+ 1358 0.011844 0.006387 0.013823
+ 1359 -0.004149 -0.001630 0.001064
+ 1360 0.002966 -0.001211 -0.000529
+ 1361 0.011026 0.001160 0.001568
+ 1362 0.015143 -0.001234 0.000065
+ 1363 0.000976 0.001952 -0.002769
+ 1364 0.013527 0.011152 0.001594
+ 1365 -0.000179 -0.000211 -0.002554
+ 1366 -0.005351 -0.004969 -0.002979
+ 1367 -0.006889 0.021662 -0.005435
+ 1368 -0.002462 0.016113 0.008657
+ 1369 -0.000975 0.000751 -0.000755
+ 1370 -0.003243 0.006738 -0.001393
+ 1371 -0.002267 -0.000779 0.003167
+ 1372 0.001566 -0.003190 -0.000583
+ 1373 -0.002018 -0.005136 0.012563
+ 1374 -0.006828 0.007134 0.011132
+ 1375 0.005244 -0.004715 -0.003319
+ 1376 -0.010064 -0.001392 0.024842
+ 1377 -0.003331 -0.012180 0.011450
+ 1378 0.005044 -0.003538 0.000197
+ 1379 0.014932 -0.005316 0.014871
+ 1380 0.002959 -0.015155 -0.010790
+ 1381 0.004288 0.003508 0.003045
+ 1382 0.010516 0.006731 0.001181
+ 1383 0.003157 0.002004 0.039661
+ 1384 -0.003464 -0.000341 -0.002519
+ 1385 0.000767 -0.010574 0.002375
+ 1386 0.012132 0.009405 0.005728
+ 1387 -0.002537 0.005096 -0.000141
+ 1388 0.008455 -0.000335 0.003398
+ 1389 0.000567 0.012932 0.006368
+ 1390 0.007440 -0.002304 0.001444
+ 1391 0.003946 0.007849 -0.005030
+ 1392 0.012038 -0.016280 0.007159
+ 1393 -0.001061 -0.002610 -0.000083
+ 1394 0.010905 -0.006613 -0.001941
+ 1395 -0.013885 -0.027620 0.005494
+ 1396 0.013746 0.003525 0.007163
+ 1397 0.003586 0.002644 -0.010792
+ 1398 0.018544 0.013850 0.017322
+ 1399 0.004571 0.000027 -0.001760
+ 1400 0.012220 0.001858 -0.006751
+ 1401 0.009850 -0.002003 0.019339
+ 1402 -0.001383 0.002281 -0.007042
+ 1403 -0.003363 0.001654 -0.017801
+ 1404 0.011330 0.009635 0.005470
+ 1405 0.000650 -0.001098 -0.005942
+ 1406 0.005198 -0.008028 -0.003832
+ 1407 0.017668 -0.005738 0.026099
+ 1408 -0.001891 0.001162 0.003476
+ 1409 -0.003537 0.018838 0.000972
+ 1410 0.007980 0.016250 0.030292
+ 1411 -0.001348 0.000197 0.004181
+ 1412 -0.002255 -0.008393 -0.001355
+ 1413 -0.008567 -0.008184 -0.000151
+ 1414 -0.001145 0.001777 -0.004250
+ 1415 -0.002565 -0.000609 -0.002622
+ 1416 0.017182 0.009342 -0.008899
+ 1417 -0.000336 -0.000833 -0.006619
+ 1418 0.006594 -0.014023 -0.011705
+ 1419 -0.010047 -0.002912 -0.003804
+ 1420 0.005759 0.000406 0.005233
+ 1421 -0.013174 -0.018780 -0.002966
+ 1422 -0.003551 -0.005212 0.011087
+ 1423 -0.001811 -0.005836 -0.002120
+ 1424 -0.008296 0.022099 0.012646
+ 1425 0.010130 0.006059 0.033707
+ 1426 0.001039 -0.001025 -0.000459
+ 1427 0.004468 0.000527 0.001539
+ 1428 -0.001728 -0.005304 0.003140
+ 1429 -0.000141 -0.003112 0.003400
+ 1430 0.007530 -0.026022 0.005020
+ 1431 -0.011982 0.032142 -0.001998
+ 1432 -0.001642 0.003923 -0.003350
+ 1433 0.016086 -0.002664 -0.005695
+ 1434 -0.010354 0.000136 0.021071
+ 1435 0.001502 -0.001507 0.005856
+ 1436 -0.003359 -0.017617 -0.013060
+ 1437 -0.001621 -0.013764 -0.008355
+ 1438 -0.006074 0.001165 0.001910
+ 1439 -0.004946 0.003618 0.011324
+ 1440 -0.007761 0.002697 -0.006763
+ 1441 -0.009332 0.000898 0.000750
+ 1442 -0.017083 -0.010335 0.011191
+ 1443 0.020780 0.013466 -0.015083
+ 1444 -0.008140 -0.008032 -0.000180
+ 1445 -0.001836 -0.008988 0.003973
+ 1446 -0.008280 -0.004548 -0.003224
+ 1447 0.000996 -0.002062 -0.001184
+ 1448 -0.001863 -0.012096 0.003957
+ 1449 -0.027050 0.007989 0.002157
+ 1450 -0.001321 -0.000325 0.001355
+ 1451 -0.006885 -0.000536 -0.022446
+ 1452 0.008792 -0.007975 0.003329
+ 1453 -0.003682 -0.004782 -0.002567
+ 1454 -0.001180 -0.009011 0.018662
+ 1455 -0.000958 -0.004899 0.013723
+ 1456 0.000545 0.011919 -0.001753
+ 1457 0.023799 0.010298 -0.002649
+ 1458 0.014717 0.007757 -0.005400
+ 1459 -0.004576 -0.007691 0.001365
+ 1460 -0.006577 -0.016846 -0.022862
+ 1461 -0.005206 0.003687 0.012428
+ 1462 0.001923 -0.004758 -0.001993
+ 1463 0.006600 0.017503 0.006935
+ 1464 -0.006747 -0.003482 -0.000067
+ 1465 0.000613 0.004580 0.004038
+ 1466 -0.001945 0.022605 -0.000652
+ 1467 0.017624 -0.001392 0.003829
+ 1468 -0.003065 -0.003003 -0.000747
+ 1469 -0.012664 -0.016566 -0.007030
+ 1470 0.008660 -0.008358 0.004763
+ 1471 -0.004008 0.000421 -0.006040
+ 1472 0.003555 0.008566 -0.015842
+ 1473 -0.001032 0.001700 -0.010204
+ 1474 -0.000556 0.000599 0.003074
+ 1475 0.001542 0.002939 0.005269
+ 1476 -0.005281 -0.001944 0.003338
+ 1477 -0.000195 -0.000293 -0.001004
+ 1478 -0.009991 -0.005354 -0.013386
+ 1479 -0.000476 -0.017594 0.007900
+ 1480 0.000550 -0.000431 0.001422
+ 1481 0.018094 -0.005183 0.016234
+ 1482 0.010706 0.011668 -0.017772
+ 1483 0.001291 0.006499 0.000951
+ 1484 0.009985 -0.016962 0.009714
+ 1485 0.020849 0.018365 -0.008351
+ 1486 0.006940 0.004692 -0.002409
+ 1487 0.022308 0.010182 -0.022897
+ 1488 0.000269 0.008847 0.011834
+ 1489 0.002051 0.007334 -0.000125
+ 1490 -0.023048 0.013759 -0.030276
+ 1491 0.023523 -0.005817 0.007754
+ 1492 -0.001269 0.002979 0.001311
+ 1493 -0.005596 0.006174 0.011007
+ 1494 -0.009061 0.022719 0.002133
+ 1495 -0.001128 0.004307 -0.002381
+ 1496 -0.004340 0.013891 -0.003505
+ 1497 0.001822 -0.005505 -0.001135
+ 1498 -0.000910 0.001437 0.000165
+ 1499 0.004510 -0.000360 -0.006425
+ 1500 0.003993 0.000498 0.007321
+ 1501 -0.002868 -0.000316 -0.000509
+ 1502 0.000620 0.011286 0.008461
+ 1503 -0.013079 -0.008157 0.007561
+ 1504 -0.003002 0.003413 0.004968
+ 1505 0.015262 -0.005133 0.012052
+ 1506 -0.003968 -0.003643 0.003514
+ 1507 0.005087 -0.001882 -0.000518
+ 1508 0.000932 -0.002238 0.000800
+ 1509 -0.008149 0.000695 -0.000827
+ 1510 -0.001261 -0.003375 0.000333
+ 1511 -0.001224 -0.004135 -0.003080
+ 1512 0.009246 -0.010372 0.026354
+ 1513 0.000697 -0.003200 0.001222
+ 1514 -0.002319 0.003800 0.022860
+ 1515 -0.018205 0.011600 -0.011416
+ 1516 -0.001731 -0.001076 0.002612
+ 1517 -0.004661 -0.010783 -0.001505
+ 1518 0.016208 0.002810 0.004482
+ 1519 0.003508 -0.001750 0.002537
+ 1520 0.024576 -0.026041 -0.004083
+ 1521 -0.019140 0.000844 0.001909
+ 1522 -0.000341 0.001152 0.001967
+ 1523 -0.020076 0.003364 0.001315
+ 1524 -0.000942 0.000692 -0.003283
+ 1525 -0.006519 -0.000419 0.000991
+ 1526 -0.004033 0.006531 0.004791
+ 1527 0.005626 0.012187 -0.014266
+ 1528 0.001113 -0.004253 0.011930
+ 1529 -0.010144 0.003567 0.009059
+ 1530 -0.003464 0.001115 0.011591
+ 1531 0.000006 0.000074 0.005751
+ 1532 0.003604 0.008464 0.010627
+ 1533 -0.004351 -0.009621 -0.000453
+ 1534 -0.000196 -0.001160 0.002795
+ 1535 -0.006855 0.001414 0.005552
+ 1536 -0.000894 -0.002102 0.005053
+ 1537 -0.002040 -0.005887 -0.003590
+ 1538 -0.006852 -0.011947 -0.023080
+ 1539 -0.016070 0.000160 0.010390
+ 1540 0.004712 0.002848 -0.002998
+ 1541 -0.004259 0.007840 0.008142
+ 1542 -0.004861 0.004263 0.011728
+ 1543 0.006968 -0.004871 0.004119
+ 1544 -0.016558 -0.002046 -0.006090
+ 1545 -0.006229 0.004475 0.001436
+ 1546 -0.002341 -0.004733 -0.003946
+ 1547 0.003563 0.004733 0.009615
+ 1548 -0.013018 0.004747 -0.004733
+ 1549 0.001703 -0.000331 0.003605
+ 1550 0.005459 -0.002653 -0.012447
+ 1551 0.013689 0.008625 -0.003301
+ 1552 0.003195 0.001205 -0.000779
+ 1553 -0.003336 -0.011439 -0.004979
+ 1554 0.001015 0.018568 -0.007361
+ 1555 -0.001647 -0.003759 0.001214
+ 1556 0.015583 -0.016961 0.000384
+ 1557 -0.011138 -0.013161 -0.015913
+ 1558 0.005848 -0.002193 -0.007682
+ 1559 0.009577 -0.005765 0.010025
+ 1560 0.006984 0.005858 -0.020668
+ 1561 -0.005040 0.001396 0.001932
+ 1562 0.007071 0.009231 0.007700
+ 1563 0.001743 0.005137 0.005850
+ 1564 0.001857 0.002145 -0.004455
+ 1565 -0.007462 0.014047 -0.012730
+ 1566 0.013730 -0.006385 0.009586
+ 1567 -0.002000 0.003453 -0.001882
+ 1568 -0.009622 -0.007424 -0.003371
+ 1569 -0.006993 -0.018224 -0.006858
+ 1570 0.001461 0.001281 -0.002568
+ 1571 0.018901 0.002357 0.001811
+ 1572 -0.001592 0.019333 -0.002732
+ 1573 -0.001308 -0.005730 -0.002519
+ 1574 -0.014074 0.007287 0.021518
+ 1575 -0.017324 -0.018775 -0.005647
+ 1576 0.002340 -0.001593 0.004994
+ 1577 -0.000516 0.003608 0.002676
+ 1578 -0.014840 -0.017283 -0.001508
+ 1579 -0.001557 -0.002471 -0.002555
+ 1580 0.016654 -0.033672 0.006595
+ 1581 0.013351 -0.030070 0.003443
+ 1582 0.003752 0.001449 0.001862
+ 1583 -0.011257 -0.002704 0.007355
+ 1584 0.002139 0.006577 0.012771
+ 1585 0.002251 0.002492 -0.002180
+ 1586 0.010691 -0.005615 -0.001517
+ 1587 -0.018738 0.016070 0.006914
+ 1588 -0.001600 0.000180 0.001378
+ 1589 0.004891 -0.007732 -0.013906
+ 1590 -0.015149 0.011285 0.002913
+ 1591 0.003944 -0.001162 -0.002407
+ 1592 -0.013220 -0.006427 -0.006873
+ 1593 -0.008388 0.022805 -0.011588
+ 1594 0.000621 -0.004836 0.005509
+ 1595 0.006148 -0.013451 0.002326
+ 1596 -0.001161 -0.012639 -0.002024
+ 1597 -0.005042 0.000613 0.003072
+ 1598 -0.002560 -0.009516 -0.007164
+ 1599 -0.007736 0.003315 0.007824
+ 1600 -0.002409 -0.002549 -0.003082
+ 1601 -0.002839 0.004415 -0.008830
+ 1602 -0.006633 -0.001003 -0.004060
+ 1603 -0.004810 -0.007495 -0.004047
+ 1604 0.005200 -0.017270 0.009101
+ 1605 0.000670 -0.009280 -0.012848
+ 1606 -0.003830 0.001924 -0.002728
+ 1607 -0.035525 0.007821 -0.020602
+ 1608 0.016575 -0.019547 -0.006176
+ 1609 0.003828 0.000099 -0.002605
+ 1610 0.017387 0.007652 0.014875
+ 1611 0.012190 0.014852 0.016071
+ 1612 -0.003436 0.002187 -0.001035
+ 1613 -0.005586 -0.003901 0.006033
+ 1614 -0.005884 -0.005331 -0.011796
+ 1615 -0.001799 -0.005019 0.004011
+ 1616 0.002094 -0.028579 0.008471
+ 1617 0.023334 0.020189 0.016696
+ 1618 -0.000653 -0.003079 -0.001689
+ 1619 -0.005925 -0.004542 -0.007489
+ 1620 0.003980 0.000361 0.005598
+ 1621 -0.000999 0.004025 -0.003724
+ 1622 0.000058 0.024442 0.006515
+ 1623 0.011473 -0.013431 0.004073
+ 1624 0.002923 -0.003314 0.001931
+ 1625 0.003377 -0.006029 -0.008704
+ 1626 0.002413 0.015094 0.010447
+ 1627 0.003654 -0.000619 -0.001261
+ 1628 -0.004232 -0.000930 0.001384
+ 1629 0.019160 0.000313 -0.006734
+ 1630 0.003534 0.002394 -0.000501
+ 1631 -0.008068 0.002953 0.008451
+ 1632 0.014612 0.006975 -0.004278
+ 1633 0.001620 0.003004 0.003226
+ 1634 -0.007605 -0.007788 0.011245
+ 1635 0.020296 -0.014907 -0.003043
+ 1636 -0.002678 -0.006261 0.001869
+ 1637 -0.007968 -0.013586 -0.003793
+ 1638 -0.015202 -0.007224 -0.014352
+ 1639 -0.005816 -0.003019 0.006480
+ 1640 -0.001607 -0.004084 0.006246
+ 1641 0.008520 -0.008049 0.002824
+ 1642 -0.000658 -0.004008 -0.000300
+ 1643 -0.000444 0.000650 -0.012168
+ 1644 -0.006399 -0.006883 0.005254
+ 1645 -0.001317 0.006093 0.001522
+ 1646 -0.010770 -0.004270 -0.010989
+ 1647 -0.005520 0.020979 0.012203
+ 1648 -0.004763 0.001957 0.003649
+ 1649 -0.010531 0.001095 0.022741
+ 1650 0.001695 -0.009764 -0.029750
+ 1651 0.000561 0.003660 0.004562
+ 1652 0.004814 -0.011887 -0.011791
+ 1653 0.015151 -0.017660 -0.020515
+ 1654 -0.003720 -0.008154 0.002101
+ 1655 -0.006836 0.005342 0.006830
+ 1656 -0.008891 -0.005752 0.002656
+ 1657 -0.004211 -0.006534 0.001470
+ 1658 0.024344 -0.009232 0.001415
+ 1659 -0.010793 -0.032076 -0.013330
+ 1660 -0.000393 0.010082 -0.000260
+ 1661 -0.003386 0.024037 -0.002341
+ 1662 0.005231 -0.007154 0.002310
+ 1663 0.004778 0.000685 -0.001247
+ 1664 0.006845 -0.000146 -0.002439
+ 1665 0.002831 0.001509 -0.001312
+ 1666 -0.004575 0.002015 0.002231
+ 1667 -0.008714 0.004773 0.019310
+ 1668 -0.009036 0.006437 0.017025
+ 1669 -0.001102 -0.003004 0.003294
+ 1670 0.004690 0.016121 0.007181
+ 1671 -0.000881 -0.003815 0.001639
+ 1672 -0.000053 -0.001708 0.002633
+ 1673 -0.004620 0.003536 0.000715
+ 1674 -0.002636 -0.005429 0.007498
+ 1675 0.002307 0.001406 0.002665
+ 1676 -0.005270 -0.001969 0.007587
+ 1677 0.001417 -0.009022 -0.021912
+ 1678 0.000203 0.002930 -0.002177
+ 1679 0.003819 0.012652 -0.002939
+ 1680 -0.001040 0.005171 0.022221
+ 1681 -0.001765 0.004140 -0.001020
+ 1682 0.015888 -0.002384 -0.000464
+ 1683 -0.019573 0.014814 -0.003047
+ 1684 -0.002840 -0.000626 0.000097
+ 1685 0.019011 -0.004434 -0.031132
+ 1686 -0.011722 0.011711 0.019623
+ 1687 -0.000720 0.008278 0.001232
+ 1688 -0.000014 -0.005707 0.005722
+ 1689 0.006445 -0.004607 0.004541
+ 1690 -0.008451 -0.005406 -0.003097
+ 1691 -0.025859 -0.004092 0.011942
+ 1692 0.003198 0.017013 -0.015979
+ 1693 0.001237 0.005482 0.001012
+ 1694 -0.003233 0.012773 -0.012817
+ 1695 -0.013658 -0.008102 0.007350
+ 1696 0.004867 0.002547 -0.001769
+ 1697 0.019074 -0.004173 0.005165
+ 1698 0.008487 0.001064 0.000080
+ 1699 0.002766 -0.001251 -0.001561
+ 1700 -0.019200 0.027169 -0.007481
+ 1701 0.006036 -0.028485 -0.009388
+ 1702 -0.005460 0.002563 0.001784
+ 1703 -0.017462 0.006398 0.005231
+ 1704 -0.014453 0.005484 0.004388
+ 1705 0.002956 -0.001348 0.006512
+ 1706 0.009654 0.004653 0.025184
+ 1707 0.006226 -0.001478 -0.018062
+ 1708 0.003757 -0.000921 -0.000401
+ 1709 0.004307 -0.009700 -0.007768
+ 1710 0.003780 -0.012914 0.008582
+ 1711 0.004846 -0.002032 -0.000808
+ 1712 -0.000823 -0.002500 -0.004619
+ 1713 0.014769 -0.010350 0.008970
+ 1714 -0.001580 -0.000837 0.000021
+ 1715 -0.002003 -0.002972 -0.000158
+ 1716 -0.004469 -0.000404 0.001257
+ 1717 -0.001782 0.001231 -0.003624
+ 1718 -0.009550 0.008477 -0.006010
+ 1719 -0.003240 -0.001801 -0.002707
+ 1720 -0.003131 -0.002749 -0.002782
+ 1721 -0.003319 -0.008008 -0.009572
+ 1722 -0.003280 -0.008289 -0.009069
+ 1723 -0.006776 0.001807 0.000809
+ 1724 0.000630 0.005359 0.003033
+ 1725 0.016012 0.013546 0.014364
+ 1726 -0.005383 0.003683 -0.001052
+ 1727 -0.000343 -0.021814 -0.000655
+ 1728 0.015975 0.004809 -0.015863
+ 1729 -0.002843 0.002136 0.000031
+ 1730 0.008511 0.002265 -0.002748
+ 1731 -0.026285 -0.002274 -0.004757
+ 1732 0.005294 -0.003565 0.004694
+ 1733 -0.002668 0.001103 -0.001112
+ 1734 -0.009429 0.006969 -0.008965
+ 1735 -0.001634 0.000110 0.001819
+ 1736 -0.004942 0.001203 -0.007254
+ 1737 -0.002655 0.002573 -0.003610
+ 1738 -0.004831 0.005860 0.001407
+ 1739 -0.014232 0.009476 0.016389
+ 1740 -0.017895 0.005674 -0.009379
+ 1741 0.003013 -0.002508 -0.001228
+ 1742 0.000746 0.006449 -0.005992
+ 1743 0.006650 -0.002762 0.000152
+ 1744 0.002550 -0.008457 0.001324
+ 1745 -0.001868 -0.010233 -0.023525
+ 1746 0.003968 -0.007880 0.008439
+ 1747 -0.000591 0.004322 -0.003592
+ 1748 -0.014424 0.009132 0.003708
+ 1749 0.012052 -0.004950 -0.011581
+ 1750 0.001849 0.003842 -0.009164
+ 1751 0.009453 -0.005684 -0.004817
+ 1752 0.001564 0.018776 -0.004831
+ 1753 0.000794 0.000968 -0.001710
+ 1754 -0.003816 -0.004723 -0.000498
+ 1755 -0.011972 0.005633 -0.006975
+ 1756 -0.004635 0.005064 -0.004764
+ 1757 -0.010722 0.012077 -0.027297
+ 1758 -0.003376 0.000707 0.006078
+ 1759 0.001092 0.005159 -0.000557
+ 1760 0.014326 0.002844 -0.021424
+ 1761 0.019579 -0.002405 -0.009532
+ 1762 -0.000565 0.006632 0.002294
+ 1763 -0.025047 0.006219 0.001583
+ 1764 -0.004637 -0.007484 0.007079
+ 1765 0.002563 -0.001616 -0.003316
+ 1766 -0.001239 0.014897 -0.002355
+ 1767 -0.001256 -0.009226 0.009450
+ 1768 0.001056 0.005329 -0.003831
+ 1769 -0.012555 0.037676 0.021233
+ 1770 -0.005969 -0.003116 -0.014248
+ 1771 0.000691 0.001302 0.002405
+ 1772 -0.015733 0.001224 -0.004288
+ 1773 0.006783 0.015986 -0.003342
+ 1774 0.002355 0.002897 -0.002965
+ 1775 -0.000435 0.005789 0.007980
+ 1776 0.014211 0.000855 -0.014841
+ 1777 -0.004596 -0.002169 0.000774
+ 1778 0.002630 -0.027237 0.012553
+ 1779 -0.000727 -0.003394 -0.009924
+ 1780 0.001821 -0.001310 0.000540
+ 1781 0.005476 -0.002057 0.001588
+ 1782 0.008060 0.013457 -0.013767
+ 1783 0.003078 -0.007047 0.009501
+ 1784 -0.004392 -0.004982 0.015684
+ 1785 -0.021173 -0.003917 -0.003013
+ 1786 0.001492 -0.007162 -0.003460
+ 1787 0.020179 0.025050 0.005018
+ 1788 -0.018378 -0.021938 0.007656
+ 1789 -0.000363 0.004076 -0.003991
+ 1790 0.012179 0.023942 -0.003853
+ 1791 0.002207 0.011773 0.006443
+ 1792 0.001993 0.000538 0.002365
+ 1793 0.008602 -0.013779 -0.007218
+ 1794 0.007374 0.001122 0.001108
+ 1795 0.003207 -0.011319 -0.004081
+ 1796 0.010332 -0.007827 -0.001929
+ 1797 0.001869 0.022609 0.012256
+ 1798 0.001101 0.003835 0.002357
+ 1799 -0.003624 0.011759 0.002745
+ 1800 0.001557 -0.002337 -0.004179
+ 1801 0.003327 -0.001910 -0.005250
+ 1802 0.011996 0.003017 0.013309
+ 1803 -0.013682 -0.002775 -0.008939
+ 1804 -0.002064 -0.000934 0.000427
+ 1805 -0.012146 0.024406 -0.015171
+ 1806 0.005030 -0.019570 0.004311
+ 1807 0.003003 0.004365 0.002257
+ 1808 0.000823 0.000086 -0.005161
+ 1809 -0.003001 0.001206 0.008241
+ 1810 0.005602 -0.001423 0.002945
+ 1811 0.000330 0.001483 -0.011075
+ 1812 0.003652 0.009252 -0.000166
+ 1813 0.004531 -0.000860 -0.000170
+ 1814 0.018728 0.013621 0.031510
+ 1815 0.011579 -0.009257 -0.004100
+ 1816 0.002862 0.000330 -0.002342
+ 1817 -0.003456 -0.001426 -0.004566
+ 1818 -0.006589 0.018593 0.018322
+ 1819 -0.001663 0.002113 0.003120
+ 1820 0.002523 0.005185 0.010725
+ 1821 -0.006456 -0.005159 0.018366
+ 1822 -0.000677 -0.000638 0.005530
+ 1823 0.006499 0.011396 0.003392
+ 1824 0.000945 -0.008826 -0.007441
+ 1825 -0.002582 0.001006 0.000170
+ 1826 -0.000739 0.010378 -0.012944
+ 1827 -0.004082 -0.009693 0.012271
+ 1828 -0.002259 -0.002179 0.001812
+ 1829 0.004365 0.028602 0.007523
+ 1830 -0.001047 0.006781 -0.010318
+ 1831 0.003053 0.002227 0.004523
+ 1832 -0.004297 -0.007295 0.001900
+ 1833 0.002925 0.002066 0.004473
+ 1834 0.003171 0.000025 0.002189
+ 1835 0.001188 0.002838 0.001014
+ 1836 0.006142 0.003073 -0.003689
+ 1837 0.009818 0.005253 0.006222
+ 1838 0.013907 -0.003607 0.006764
+ 1839 -0.000327 0.015573 -0.010930
+ 1840 -0.003110 -0.005538 0.000400
+ 1841 0.006244 -0.021206 -0.003853
+ 1842 -0.010299 0.008474 0.021147
+ 1843 -0.001053 -0.000598 0.004581
+ 1844 -0.013621 0.002557 -0.003175
+ 1845 -0.002495 0.000789 0.011106
+ 1846 -0.000137 -0.004006 -0.000014
+ 1847 -0.017819 -0.013981 0.011316
+ 1848 -0.005844 -0.000863 -0.025248
+ 1849 -0.002799 0.002996 -0.002499
+ 1850 -0.012455 0.012490 -0.004469
+ 1851 0.010514 0.009490 -0.009495
+ 1852 -0.000560 -0.004144 -0.000656
+ 1853 -0.007255 0.002559 0.003817
+ 1854 0.004602 -0.007276 0.003469
+ 1855 0.000128 0.001144 -0.008402
+ 1856 0.008157 0.001721 -0.014464
+ 1857 -0.004034 0.002739 -0.008982
+ 1858 0.002856 0.004731 -0.003812
+ 1859 0.008481 -0.004184 -0.015612
+ 1860 -0.004966 0.006658 -0.006541
+ 1861 0.005415 -0.007185 0.002622
+ 1862 -0.000791 0.004294 0.012806
+ 1863 0.006266 -0.008943 0.000048
+ 1864 -0.004891 -0.000259 0.002435
+ 1865 0.000775 -0.012600 0.009738
+ 1866 -0.000239 0.020688 0.014963
+ 1867 0.007752 0.006605 0.003522
+ 1868 0.005559 0.005449 0.004823
+ 1869 0.001382 0.020031 -0.009484
+ 1870 0.000269 -0.000837 -0.001948
+ 1871 -0.015324 0.006379 0.032972
+ 1872 -0.010895 -0.006739 0.002233
+ 1873 0.002406 -0.005817 -0.007929
+ 1874 0.011974 0.013774 0.020789
+ 1875 -0.005616 -0.012309 -0.023698
+ 1876 -0.002712 -0.000118 0.000894
+ 1877 -0.000559 -0.018665 -0.005699
+ 1878 -0.022904 -0.016730 0.007620
+ 1879 -0.006235 -0.000119 -0.005440
+ 1880 -0.008616 0.001720 0.002602
+ 1881 -0.019263 0.001295 0.018377
+ 1882 -0.002493 0.002824 -0.002915
+ 1883 0.007384 0.000692 0.003462
+ 1884 -0.019228 -0.005451 0.005676
+ 1885 0.002956 0.004628 -0.002177
+ 1886 0.005617 0.021792 -0.005623
+ 1887 -0.010771 -0.007154 -0.002600
+ 1888 -0.006932 -0.006388 0.001795
+ 1889 -0.026638 0.002211 0.017012
+ 1890 -0.006429 -0.013703 0.021233
+ 1891 0.004179 0.001508 -0.002942
+ 1892 -0.015358 0.009799 -0.025507
+ 1893 -0.009827 0.001263 -0.015038
+ 1894 0.002515 0.004808 -0.006083
+ 1895 -0.001395 -0.005178 0.010798
+ 1896 0.005498 0.001296 -0.013456
+ 1897 -0.006679 0.000004 0.000833
+ 1898 -0.006339 0.003210 0.000555
+ 1899 -0.007815 -0.000155 0.006317
+ 1900 -0.003334 -0.000730 -0.000139
+ 1901 -0.003197 -0.021225 -0.009098
+ 1902 0.003310 -0.008203 -0.004863
+ 1903 -0.007379 0.001152 -0.003847
+ 1904 -0.008175 0.003836 -0.004939
+ 1905 -0.007216 0.002039 -0.012076
+ 1906 -0.002751 -0.006050 -0.001404
+ 1907 -0.005827 0.008129 0.005351
+ 1908 0.010377 0.010628 0.018761
+ 1909 -0.002571 -0.007065 0.006215
+ 1910 -0.004848 -0.014622 0.001577
+ 1911 -0.004351 -0.002361 0.020679
+ 1912 0.006139 0.001291 0.002464
+ 1913 0.004939 0.003608 0.002097
+ 1914 0.004274 0.000152 0.002451
+ 1915 0.002989 0.000832 -0.000352
+ 1916 -0.014159 -0.000914 0.002187
+ 1917 0.012237 -0.003167 0.009134
+ 1918 -0.004575 -0.001662 0.000082
+ 1919 -0.007883 -0.002056 0.002571
+ 1920 -0.003336 -0.001305 -0.000658
+ 1921 0.004366 0.000439 0.001158
+ 1922 -0.000155 0.003368 0.010592
+ 1923 -0.014972 -0.009424 -0.018312
+ 1924 -0.000613 -0.002374 0.000797
+ 1925 0.007460 -0.016336 -0.000977
+ 1926 -0.006787 0.004573 0.010255
+ 1927 -0.002452 -0.000122 0.000124
+ 1928 -0.015584 -0.009431 -0.007285
+ 1929 -0.000101 0.008080 -0.015191
+ 1930 0.002197 0.002310 -0.001612
+ 1931 0.016237 -0.005090 0.018070
+ 1932 0.001709 -0.003220 -0.011865
+ 1933 -0.001150 0.000898 0.004173
+ 1934 0.000323 -0.000312 -0.014495
+ 1935 0.000516 -0.000491 -0.011422
+ 1936 -0.005815 -0.002965 0.000187
+ 1937 0.008195 0.018425 -0.027236
+ 1938 -0.010921 -0.007575 -0.002217
+ 1939 -0.004740 0.002745 0.006330
+ 1940 0.002035 0.006523 0.010880
+ 1941 -0.012191 0.004818 0.006605
+ 1942 -0.003197 -0.004418 -0.003375
+ 1943 0.003590 -0.017196 0.008070
+ 1944 0.004548 0.006106 0.016045
+ 1945 0.005444 0.002200 0.004561
+ 1946 0.004448 0.009092 -0.001577
+ 1947 -0.000522 0.006033 0.006559
+ 1948 0.005450 0.001267 0.002269
+ 1949 0.027952 -0.012604 0.001935
+ 1950 -0.004826 -0.018174 0.014813
+ 1951 0.005498 -0.000626 0.001156
+ 1952 0.001428 -0.010472 0.000805
+ 1953 -0.010198 -0.005573 -0.014564
+ 1954 0.001605 -0.006572 0.005587
+ 1955 -0.002403 -0.004981 0.000460
+ 1956 0.010287 -0.003414 0.005774
+ 1957 -0.005679 0.003540 -0.003175
+ 1958 -0.005054 0.005203 -0.002733
+ 1959 -0.006462 0.003843 0.002657
+ 1960 -0.006606 -0.002499 -0.001538
+ 1961 0.027567 -0.002565 0.034908
+ 1962 0.001905 -0.003739 -0.001134
+ 1963 -0.000871 0.002779 0.006534
+ 1964 -0.013473 -0.002631 0.001200
+ 1965 -0.008136 0.003625 0.001725
+ 1966 0.002375 -0.002767 -0.000214
+ 1967 0.015603 0.001192 0.006785
+ 1968 -0.008229 0.002751 0.010337
+ 1969 -0.002111 -0.006139 0.006236
+ 1970 0.025783 -0.003684 0.015052
+ 1971 -0.008026 -0.018580 0.028847
+ 1972 -0.001966 -0.005103 0.002533
+ 1973 0.025504 -0.012928 0.014439
+ 1974 0.015919 0.008653 -0.013047
+ 1975 -0.002145 -0.003853 -0.002353
+ 1976 0.020573 0.023626 0.033600
+ 1977 0.002418 -0.000127 0.000258
+ 1978 -0.000168 -0.002747 0.002505
+ 1979 0.011847 0.007945 0.003222
+ 1980 0.002222 -0.001343 0.005437
+ 1981 -0.004734 0.003071 -0.000955
+ 1982 0.003752 -0.001882 -0.005052
+ 1983 -0.008195 0.007844 0.004577
+ 1984 0.007575 0.002209 -0.000466
+ 1985 -0.005510 0.009650 -0.004399
+ 1986 0.018263 0.019292 -0.008157
+ 1987 -0.005098 -0.001581 -0.000328
+ 1988 -0.004522 -0.021884 -0.005509
+ 1989 -0.001598 -0.001668 0.002704
+ 1990 -0.000494 0.002205 0.012458
+ 1991 0.003153 0.001522 0.015672
+ 1992 -0.000092 -0.002603 0.010098
+ 1993 0.001919 -0.007389 0.001539
+ 1994 -0.002690 -0.003376 -0.009963
+ 1995 -0.005006 0.002932 -0.001670
+ 1996 -0.003089 -0.005736 0.003689
+ 1997 0.010713 -0.027613 -0.023000
+ 1998 -0.006878 0.009457 0.006998
+ 1999 -0.001817 0.000266 -0.004238
+ 2000 -0.010974 0.005190 0.000117
+ 2001 -0.008937 -0.003277 0.004337
+ 2002 -0.000987 -0.001334 -0.004265
+ 2003 -0.022280 -0.011677 -0.018343
+ 2004 -0.010076 -0.005729 -0.026032
+
+Bonds
+
+ 1 3 1 7
+ 2 2 1 3
+ 3 1 1 2
+ 4 4 2 5
+ 5 4 2 6
+ 6 4 2 4
+ 7 6 7 19
+ 8 5 7 8
+ 9 1 8 9
+ 10 7 8 11
+ 11 8 8 20
+ 12 3 9 28
+ 13 2 9 10
+ 14 10 11 21
+ 15 9 11 12
+ 16 10 11 22
+ 17 11 12 14
+ 18 11 12 13
+ 19 12 13 23
+ 20 11 13 15
+ 21 12 14 24
+ 22 11 14 16
+ 23 11 15 17
+ 24 12 15 25
+ 25 11 16 17
+ 26 12 16 26
+ 27 13 17 18
+ 28 14 18 27
+ 29 5 28 29
+ 30 6 28 32
+ 31 1 29 30
+ 32 8 29 33
+ 33 8 29 34
+ 34 3 30 35
+ 35 2 30 31
+ 36 5 35 36
+ 37 6 35 39
+ 38 1 36 37
+ 39 8 36 40
+ 40 8 36 41
+ 41 2 37 38
+ 42 3 37 42
+ 43 6 42 53
+ 44 5 42 43
+ 45 1 43 44
+ 46 7 43 46
+ 47 8 43 54
+ 48 3 44 62
+ 49 2 44 45
+ 50 10 46 56
+ 51 10 46 55
+ 52 9 46 47
+ 53 11 47 48
+ 54 11 47 49
+ 55 11 48 50
+ 56 12 48 57
+ 57 11 49 51
+ 58 12 49 58
+ 59 11 50 52
+ 60 12 50 59
+ 61 11 51 52
+ 62 12 51 60
+ 63 12 52 61
+ 64 6 62 70
+ 65 5 62 63
+ 66 7 63 66
+ 67 1 63 64
+ 68 8 63 71
+ 69 2 64 65
+ 70 3 64 79
+ 71 15 66 67
+ 72 10 66 73
+ 73 10 66 72
+ 74 10 67 75
+ 75 10 67 74
+ 76 16 67 68
+ 77 17 68 69
+ 78 4 69 76
+ 79 4 69 78
+ 80 4 69 77
+ 81 5 79 80
+ 82 6 79 81
+ 83 4 80 84
+ 84 4 80 83
+ 85 4 80 82
+ 86 18 85 86
+ 87 18 85 87
+ 88 18 88 90
+ 89 18 88 89
+ 90 18 91 93
+ 91 18 91 92
+ 92 18 94 96
+ 93 18 94 95
+ 94 18 97 98
+ 95 18 97 99
+ 96 18 100 101
+ 97 18 100 102
+ 98 18 103 104
+ 99 18 103 105
+ 100 18 106 107
+ 101 18 106 108
+ 102 18 109 111
+ 103 18 109 110
+ 104 18 112 114
+ 105 18 112 113
+ 106 18 115 116
+ 107 18 115 117
+ 108 18 118 120
+ 109 18 118 119
+ 110 18 121 123
+ 111 18 121 122
+ 112 18 124 126
+ 113 18 124 125
+ 114 18 127 128
+ 115 18 127 129
+ 116 18 130 132
+ 117 18 130 131
+ 118 18 133 134
+ 119 18 133 135
+ 120 18 136 137
+ 121 18 136 138
+ 122 18 139 140
+ 123 18 139 141
+ 124 18 142 144
+ 125 18 142 143
+ 126 18 145 147
+ 127 18 145 146
+ 128 18 148 150
+ 129 18 148 149
+ 130 18 151 152
+ 131 18 151 153
+ 132 18 154 156
+ 133 18 154 155
+ 134 18 157 159
+ 135 18 157 158
+ 136 18 160 162
+ 137 18 160 161
+ 138 18 163 164
+ 139 18 163 165
+ 140 18 166 168
+ 141 18 166 167
+ 142 18 169 171
+ 143 18 169 170
+ 144 18 172 174
+ 145 18 172 173
+ 146 18 175 177
+ 147 18 175 176
+ 148 18 178 180
+ 149 18 178 179
+ 150 18 181 182
+ 151 18 181 183
+ 152 18 184 186
+ 153 18 184 185
+ 154 18 187 188
+ 155 18 187 189
+ 156 18 190 191
+ 157 18 190 192
+ 158 18 193 194
+ 159 18 193 195
+ 160 18 196 197
+ 161 18 196 198
+ 162 18 199 201
+ 163 18 199 200
+ 164 18 202 204
+ 165 18 202 203
+ 166 18 205 206
+ 167 18 205 207
+ 168 18 208 210
+ 169 18 208 209
+ 170 18 211 212
+ 171 18 211 213
+ 172 18 214 215
+ 173 18 214 216
+ 174 18 217 219
+ 175 18 217 218
+ 176 18 220 222
+ 177 18 220 221
+ 178 18 223 224
+ 179 18 223 225
+ 180 18 226 228
+ 181 18 226 227
+ 182 18 229 231
+ 183 18 229 230
+ 184 18 232 233
+ 185 18 232 234
+ 186 18 235 236
+ 187 18 235 237
+ 188 18 238 240
+ 189 18 238 239
+ 190 18 241 242
+ 191 18 241 243
+ 192 18 244 246
+ 193 18 244 245
+ 194 18 247 248
+ 195 18 247 249
+ 196 18 250 251
+ 197 18 250 252
+ 198 18 253 254
+ 199 18 253 255
+ 200 18 256 257
+ 201 18 256 258
+ 202 18 259 261
+ 203 18 259 260
+ 204 18 262 264
+ 205 18 262 263
+ 206 18 265 266
+ 207 18 265 267
+ 208 18 268 269
+ 209 18 268 270
+ 210 18 271 272
+ 211 18 271 273
+ 212 18 274 275
+ 213 18 274 276
+ 214 18 277 279
+ 215 18 277 278
+ 216 18 280 282
+ 217 18 280 281
+ 218 18 283 284
+ 219 18 283 285
+ 220 18 286 287
+ 221 18 286 288
+ 222 18 289 290
+ 223 18 289 291
+ 224 18 292 294
+ 225 18 292 293
+ 226 18 295 296
+ 227 18 295 297
+ 228 18 298 299
+ 229 18 298 300
+ 230 18 301 303
+ 231 18 301 302
+ 232 18 304 305
+ 233 18 304 306
+ 234 18 307 309
+ 235 18 307 308
+ 236 18 310 311
+ 237 18 310 312
+ 238 18 313 314
+ 239 18 313 315
+ 240 18 316 317
+ 241 18 316 318
+ 242 18 319 321
+ 243 18 319 320
+ 244 18 322 323
+ 245 18 322 324
+ 246 18 325 327
+ 247 18 325 326
+ 248 18 328 329
+ 249 18 328 330
+ 250 18 331 332
+ 251 18 331 333
+ 252 18 334 335
+ 253 18 334 336
+ 254 18 337 339
+ 255 18 337 338
+ 256 18 340 341
+ 257 18 340 342
+ 258 18 343 344
+ 259 18 343 345
+ 260 18 346 347
+ 261 18 346 348
+ 262 18 349 350
+ 263 18 349 351
+ 264 18 352 353
+ 265 18 352 354
+ 266 18 355 356
+ 267 18 355 357
+ 268 18 358 359
+ 269 18 358 360
+ 270 18 361 362
+ 271 18 361 363
+ 272 18 364 365
+ 273 18 364 366
+ 274 18 367 369
+ 275 18 367 368
+ 276 18 370 372
+ 277 18 370 371
+ 278 18 373 374
+ 279 18 373 375
+ 280 18 376 378
+ 281 18 376 377
+ 282 18 379 381
+ 283 18 379 380
+ 284 18 382 383
+ 285 18 382 384
+ 286 18 385 386
+ 287 18 385 387
+ 288 18 388 390
+ 289 18 388 389
+ 290 18 391 393
+ 291 18 391 392
+ 292 18 394 395
+ 293 18 394 396
+ 294 18 397 399
+ 295 18 397 398
+ 296 18 400 402
+ 297 18 400 401
+ 298 18 403 405
+ 299 18 403 404
+ 300 18 406 407
+ 301 18 406 408
+ 302 18 409 411
+ 303 18 409 410
+ 304 18 412 413
+ 305 18 412 414
+ 306 18 415 417
+ 307 18 415 416
+ 308 18 418 420
+ 309 18 418 419
+ 310 18 421 422
+ 311 18 421 423
+ 312 18 424 425
+ 313 18 424 426
+ 314 18 427 428
+ 315 18 427 429
+ 316 18 430 432
+ 317 18 430 431
+ 318 18 433 435
+ 319 18 433 434
+ 320 18 436 437
+ 321 18 436 438
+ 322 18 439 440
+ 323 18 439 441
+ 324 18 442 443
+ 325 18 442 444
+ 326 18 445 447
+ 327 18 445 446
+ 328 18 448 449
+ 329 18 448 450
+ 330 18 451 453
+ 331 18 451 452
+ 332 18 454 456
+ 333 18 454 455
+ 334 18 457 458
+ 335 18 457 459
+ 336 18 460 462
+ 337 18 460 461
+ 338 18 463 465
+ 339 18 463 464
+ 340 18 466 467
+ 341 18 466 468
+ 342 18 469 470
+ 343 18 469 471
+ 344 18 472 473
+ 345 18 472 474
+ 346 18 475 476
+ 347 18 475 477
+ 348 18 478 479
+ 349 18 478 480
+ 350 18 481 482
+ 351 18 481 483
+ 352 18 484 485
+ 353 18 484 486
+ 354 18 487 489
+ 355 18 487 488
+ 356 18 490 492
+ 357 18 490 491
+ 358 18 493 495
+ 359 18 493 494
+ 360 18 496 497
+ 361 18 496 498
+ 362 18 499 501
+ 363 18 499 500
+ 364 18 502 503
+ 365 18 502 504
+ 366 18 505 507
+ 367 18 505 506
+ 368 18 508 509
+ 369 18 508 510
+ 370 18 511 513
+ 371 18 511 512
+ 372 18 514 516
+ 373 18 514 515
+ 374 18 517 518
+ 375 18 517 519
+ 376 18 520 521
+ 377 18 520 522
+ 378 18 523 525
+ 379 18 523 524
+ 380 18 526 528
+ 381 18 526 527
+ 382 18 529 530
+ 383 18 529 531
+ 384 18 532 533
+ 385 18 532 534
+ 386 18 535 536
+ 387 18 535 537
+ 388 18 538 540
+ 389 18 538 539
+ 390 18 541 542
+ 391 18 541 543
+ 392 18 544 546
+ 393 18 544 545
+ 394 18 547 549
+ 395 18 547 548
+ 396 18 550 551
+ 397 18 550 552
+ 398 18 553 555
+ 399 18 553 554
+ 400 18 556 557
+ 401 18 556 558
+ 402 18 559 561
+ 403 18 559 560
+ 404 18 562 563
+ 405 18 562 564
+ 406 18 565 567
+ 407 18 565 566
+ 408 18 568 570
+ 409 18 568 569
+ 410 18 571 573
+ 411 18 571 572
+ 412 18 574 575
+ 413 18 574 576
+ 414 18 577 579
+ 415 18 577 578
+ 416 18 580 581
+ 417 18 580 582
+ 418 18 583 585
+ 419 18 583 584
+ 420 18 586 588
+ 421 18 586 587
+ 422 18 589 590
+ 423 18 589 591
+ 424 18 592 594
+ 425 18 592 593
+ 426 18 595 597
+ 427 18 595 596
+ 428 18 598 600
+ 429 18 598 599
+ 430 18 601 602
+ 431 18 601 603
+ 432 18 604 606
+ 433 18 604 605
+ 434 18 607 609
+ 435 18 607 608
+ 436 18 610 611
+ 437 18 610 612
+ 438 18 613 615
+ 439 18 613 614
+ 440 18 616 618
+ 441 18 616 617
+ 442 18 619 620
+ 443 18 619 621
+ 444 18 622 623
+ 445 18 622 624
+ 446 18 625 627
+ 447 18 625 626
+ 448 18 628 629
+ 449 18 628 630
+ 450 18 631 632
+ 451 18 631 633
+ 452 18 634 635
+ 453 18 634 636
+ 454 18 637 639
+ 455 18 637 638
+ 456 18 640 642
+ 457 18 640 641
+ 458 18 643 644
+ 459 18 643 645
+ 460 18 646 647
+ 461 18 646 648
+ 462 18 649 650
+ 463 18 649 651
+ 464 18 652 653
+ 465 18 652 654
+ 466 18 655 657
+ 467 18 655 656
+ 468 18 658 660
+ 469 18 658 659
+ 470 18 661 663
+ 471 18 661 662
+ 472 18 664 665
+ 473 18 664 666
+ 474 18 667 669
+ 475 18 667 668
+ 476 18 670 672
+ 477 18 670 671
+ 478 18 673 674
+ 479 18 673 675
+ 480 18 676 677
+ 481 18 676 678
+ 482 18 679 681
+ 483 18 679 680
+ 484 18 682 684
+ 485 18 682 683
+ 486 18 685 686
+ 487 18 685 687
+ 488 18 688 690
+ 489 18 688 689
+ 490 18 691 693
+ 491 18 691 692
+ 492 18 694 695
+ 493 18 694 696
+ 494 18 697 698
+ 495 18 697 699
+ 496 18 700 701
+ 497 18 700 702
+ 498 18 703 704
+ 499 18 703 705
+ 500 18 706 707
+ 501 18 706 708
+ 502 18 709 710
+ 503 18 709 711
+ 504 18 712 714
+ 505 18 712 713
+ 506 18 715 716
+ 507 18 715 717
+ 508 18 718 719
+ 509 18 718 720
+ 510 18 721 722
+ 511 18 721 723
+ 512 18 724 726
+ 513 18 724 725
+ 514 18 727 728
+ 515 18 727 729
+ 516 18 730 731
+ 517 18 730 732
+ 518 18 733 735
+ 519 18 733 734
+ 520 18 736 737
+ 521 18 736 738
+ 522 18 739 741
+ 523 18 739 740
+ 524 18 742 743
+ 525 18 742 744
+ 526 18 745 746
+ 527 18 745 747
+ 528 18 748 750
+ 529 18 748 749
+ 530 18 751 753
+ 531 18 751 752
+ 532 18 754 756
+ 533 18 754 755
+ 534 18 757 758
+ 535 18 757 759
+ 536 18 760 762
+ 537 18 760 761
+ 538 18 763 764
+ 539 18 763 765
+ 540 18 766 767
+ 541 18 766 768
+ 542 18 769 770
+ 543 18 769 771
+ 544 18 772 774
+ 545 18 772 773
+ 546 18 775 777
+ 547 18 775 776
+ 548 18 778 780
+ 549 18 778 779
+ 550 18 781 783
+ 551 18 781 782
+ 552 18 784 786
+ 553 18 784 785
+ 554 18 787 789
+ 555 18 787 788
+ 556 18 790 791
+ 557 18 790 792
+ 558 18 793 795
+ 559 18 793 794
+ 560 18 796 797
+ 561 18 796 798
+ 562 18 799 801
+ 563 18 799 800
+ 564 18 802 803
+ 565 18 802 804
+ 566 18 805 806
+ 567 18 805 807
+ 568 18 808 809
+ 569 18 808 810
+ 570 18 811 813
+ 571 18 811 812
+ 572 18 814 815
+ 573 18 814 816
+ 574 18 817 818
+ 575 18 817 819
+ 576 18 820 821
+ 577 18 820 822
+ 578 18 823 824
+ 579 18 823 825
+ 580 18 826 828
+ 581 18 826 827
+ 582 18 829 830
+ 583 18 829 831
+ 584 18 832 834
+ 585 18 832 833
+ 586 18 835 837
+ 587 18 835 836
+ 588 18 838 839
+ 589 18 838 840
+ 590 18 841 842
+ 591 18 841 843
+ 592 18 844 845
+ 593 18 844 846
+ 594 18 847 848
+ 595 18 847 849
+ 596 18 850 852
+ 597 18 850 851
+ 598 18 853 854
+ 599 18 853 855
+ 600 18 856 858
+ 601 18 856 857
+ 602 18 859 861
+ 603 18 859 860
+ 604 18 862 863
+ 605 18 862 864
+ 606 18 865 866
+ 607 18 865 867
+ 608 18 868 869
+ 609 18 868 870
+ 610 18 871 873
+ 611 18 871 872
+ 612 18 874 875
+ 613 18 874 876
+ 614 18 877 878
+ 615 18 877 879
+ 616 18 880 882
+ 617 18 880 881
+ 618 18 883 884
+ 619 18 883 885
+ 620 18 886 887
+ 621 18 886 888
+ 622 18 889 891
+ 623 18 889 890
+ 624 18 892 894
+ 625 18 892 893
+ 626 18 895 896
+ 627 18 895 897
+ 628 18 898 899
+ 629 18 898 900
+ 630 18 901 903
+ 631 18 901 902
+ 632 18 904 905
+ 633 18 904 906
+ 634 18 907 908
+ 635 18 907 909
+ 636 18 910 911
+ 637 18 910 912
+ 638 18 913 915
+ 639 18 913 914
+ 640 18 916 917
+ 641 18 916 918
+ 642 18 919 920
+ 643 18 919 921
+ 644 18 922 924
+ 645 18 922 923
+ 646 18 925 927
+ 647 18 925 926
+ 648 18 928 930
+ 649 18 928 929
+ 650 18 931 932
+ 651 18 931 933
+ 652 18 934 935
+ 653 18 934 936
+ 654 18 937 939
+ 655 18 937 938
+ 656 18 940 942
+ 657 18 940 941
+ 658 18 943 945
+ 659 18 943 944
+ 660 18 946 948
+ 661 18 946 947
+ 662 18 949 950
+ 663 18 949 951
+ 664 18 952 953
+ 665 18 952 954
+ 666 18 955 956
+ 667 18 955 957
+ 668 18 958 960
+ 669 18 958 959
+ 670 18 961 963
+ 671 18 961 962
+ 672 18 964 965
+ 673 18 964 966
+ 674 18 967 969
+ 675 18 967 968
+ 676 18 970 972
+ 677 18 970 971
+ 678 18 973 975
+ 679 18 973 974
+ 680 18 976 978
+ 681 18 976 977
+ 682 18 979 981
+ 683 18 979 980
+ 684 18 982 983
+ 685 18 982 984
+ 686 18 985 987
+ 687 18 985 986
+ 688 18 988 989
+ 689 18 988 990
+ 690 18 991 993
+ 691 18 991 992
+ 692 18 994 996
+ 693 18 994 995
+ 694 18 997 998
+ 695 18 997 999
+ 696 18 1000 1001
+ 697 18 1000 1002
+ 698 18 1003 1005
+ 699 18 1003 1004
+ 700 18 1006 1007
+ 701 18 1006 1008
+ 702 18 1009 1011
+ 703 18 1009 1010
+ 704 18 1012 1013
+ 705 18 1012 1014
+ 706 18 1015 1017
+ 707 18 1015 1016
+ 708 18 1018 1020
+ 709 18 1018 1019
+ 710 18 1021 1023
+ 711 18 1021 1022
+ 712 18 1024 1025
+ 713 18 1024 1026
+ 714 18 1027 1028
+ 715 18 1027 1029
+ 716 18 1030 1032
+ 717 18 1030 1031
+ 718 18 1033 1034
+ 719 18 1033 1035
+ 720 18 1036 1037
+ 721 18 1036 1038
+ 722 18 1039 1041
+ 723 18 1039 1040
+ 724 18 1042 1043
+ 725 18 1042 1044
+ 726 18 1045 1046
+ 727 18 1045 1047
+ 728 18 1048 1050
+ 729 18 1048 1049
+ 730 18 1051 1053
+ 731 18 1051 1052
+ 732 18 1054 1056
+ 733 18 1054 1055
+ 734 18 1057 1058
+ 735 18 1057 1059
+ 736 18 1060 1062
+ 737 18 1060 1061
+ 738 18 1063 1064
+ 739 18 1063 1065
+ 740 18 1066 1068
+ 741 18 1066 1067
+ 742 18 1069 1071
+ 743 18 1069 1070
+ 744 18 1072 1074
+ 745 18 1072 1073
+ 746 18 1075 1077
+ 747 18 1075 1076
+ 748 18 1078 1079
+ 749 18 1078 1080
+ 750 18 1081 1082
+ 751 18 1081 1083
+ 752 18 1084 1085
+ 753 18 1084 1086
+ 754 18 1087 1089
+ 755 18 1087 1088
+ 756 18 1090 1092
+ 757 18 1090 1091
+ 758 18 1093 1095
+ 759 18 1093 1094
+ 760 18 1096 1097
+ 761 18 1096 1098
+ 762 18 1099 1100
+ 763 18 1099 1101
+ 764 18 1102 1103
+ 765 18 1102 1104
+ 766 18 1105 1107
+ 767 18 1105 1106
+ 768 18 1108 1110
+ 769 18 1108 1109
+ 770 18 1111 1112
+ 771 18 1111 1113
+ 772 18 1114 1116
+ 773 18 1114 1115
+ 774 18 1117 1119
+ 775 18 1117 1118
+ 776 18 1120 1121
+ 777 18 1120 1122
+ 778 18 1123 1124
+ 779 18 1123 1125
+ 780 18 1126 1128
+ 781 18 1126 1127
+ 782 18 1129 1130
+ 783 18 1129 1131
+ 784 18 1132 1133
+ 785 18 1132 1134
+ 786 18 1135 1137
+ 787 18 1135 1136
+ 788 18 1138 1140
+ 789 18 1138 1139
+ 790 18 1141 1142
+ 791 18 1141 1143
+ 792 18 1144 1146
+ 793 18 1144 1145
+ 794 18 1147 1149
+ 795 18 1147 1148
+ 796 18 1150 1152
+ 797 18 1150 1151
+ 798 18 1153 1155
+ 799 18 1153 1154
+ 800 18 1156 1158
+ 801 18 1156 1157
+ 802 18 1159 1160
+ 803 18 1159 1161
+ 804 18 1162 1164
+ 805 18 1162 1163
+ 806 18 1165 1166
+ 807 18 1165 1167
+ 808 18 1168 1170
+ 809 18 1168 1169
+ 810 18 1171 1172
+ 811 18 1171 1173
+ 812 18 1174 1175
+ 813 18 1174 1176
+ 814 18 1177 1179
+ 815 18 1177 1178
+ 816 18 1180 1182
+ 817 18 1180 1181
+ 818 18 1183 1185
+ 819 18 1183 1184
+ 820 18 1186 1187
+ 821 18 1186 1188
+ 822 18 1189 1190
+ 823 18 1189 1191
+ 824 18 1192 1194
+ 825 18 1192 1193
+ 826 18 1195 1196
+ 827 18 1195 1197
+ 828 18 1198 1199
+ 829 18 1198 1200
+ 830 18 1201 1202
+ 831 18 1201 1203
+ 832 18 1204 1205
+ 833 18 1204 1206
+ 834 18 1207 1209
+ 835 18 1207 1208
+ 836 18 1210 1212
+ 837 18 1210 1211
+ 838 18 1213 1214
+ 839 18 1213 1215
+ 840 18 1216 1218
+ 841 18 1216 1217
+ 842 18 1219 1221
+ 843 18 1219 1220
+ 844 18 1222 1224
+ 845 18 1222 1223
+ 846 18 1225 1226
+ 847 18 1225 1227
+ 848 18 1228 1229
+ 849 18 1228 1230
+ 850 18 1231 1232
+ 851 18 1231 1233
+ 852 18 1234 1236
+ 853 18 1234 1235
+ 854 18 1237 1239
+ 855 18 1237 1238
+ 856 18 1240 1242
+ 857 18 1240 1241
+ 858 18 1243 1244
+ 859 18 1243 1245
+ 860 18 1246 1248
+ 861 18 1246 1247
+ 862 18 1249 1250
+ 863 18 1249 1251
+ 864 18 1252 1254
+ 865 18 1252 1253
+ 866 18 1255 1256
+ 867 18 1255 1257
+ 868 18 1258 1259
+ 869 18 1258 1260
+ 870 18 1261 1263
+ 871 18 1261 1262
+ 872 18 1264 1265
+ 873 18 1264 1266
+ 874 18 1267 1268
+ 875 18 1267 1269
+ 876 18 1270 1271
+ 877 18 1270 1272
+ 878 18 1273 1274
+ 879 18 1273 1275
+ 880 18 1276 1277
+ 881 18 1276 1278
+ 882 18 1279 1280
+ 883 18 1279 1281
+ 884 18 1282 1283
+ 885 18 1282 1284
+ 886 18 1285 1286
+ 887 18 1285 1287
+ 888 18 1288 1289
+ 889 18 1288 1290
+ 890 18 1291 1293
+ 891 18 1291 1292
+ 892 18 1294 1295
+ 893 18 1294 1296
+ 894 18 1297 1299
+ 895 18 1297 1298
+ 896 18 1300 1302
+ 897 18 1300 1301
+ 898 18 1303 1304
+ 899 18 1303 1305
+ 900 18 1306 1308
+ 901 18 1306 1307
+ 902 18 1309 1311
+ 903 18 1309 1310
+ 904 18 1312 1314
+ 905 18 1312 1313
+ 906 18 1315 1317
+ 907 18 1315 1316
+ 908 18 1318 1320
+ 909 18 1318 1319
+ 910 18 1321 1323
+ 911 18 1321 1322
+ 912 18 1324 1325
+ 913 18 1324 1326
+ 914 18 1327 1329
+ 915 18 1327 1328
+ 916 18 1330 1332
+ 917 18 1330 1331
+ 918 18 1333 1334
+ 919 18 1333 1335
+ 920 18 1336 1337
+ 921 18 1336 1338
+ 922 18 1339 1340
+ 923 18 1339 1341
+ 924 18 1342 1344
+ 925 18 1342 1343
+ 926 18 1345 1347
+ 927 18 1345 1346
+ 928 18 1348 1350
+ 929 18 1348 1349
+ 930 18 1351 1352
+ 931 18 1351 1353
+ 932 18 1354 1355
+ 933 18 1354 1356
+ 934 18 1357 1358
+ 935 18 1357 1359
+ 936 18 1360 1362
+ 937 18 1360 1361
+ 938 18 1363 1365
+ 939 18 1363 1364
+ 940 18 1366 1368
+ 941 18 1366 1367
+ 942 18 1369 1370
+ 943 18 1369 1371
+ 944 18 1372 1373
+ 945 18 1372 1374
+ 946 18 1375 1377
+ 947 18 1375 1376
+ 948 18 1378 1379
+ 949 18 1378 1380
+ 950 18 1381 1382
+ 951 18 1381 1383
+ 952 18 1384 1385
+ 953 18 1384 1386
+ 954 18 1387 1388
+ 955 18 1387 1389
+ 956 18 1390 1392
+ 957 18 1390 1391
+ 958 18 1393 1395
+ 959 18 1393 1394
+ 960 18 1396 1397
+ 961 18 1396 1398
+ 962 18 1399 1401
+ 963 18 1399 1400
+ 964 18 1402 1403
+ 965 18 1402 1404
+ 966 18 1405 1406
+ 967 18 1405 1407
+ 968 18 1408 1409
+ 969 18 1408 1410
+ 970 18 1411 1412
+ 971 18 1411 1413
+ 972 18 1414 1416
+ 973 18 1414 1415
+ 974 18 1417 1419
+ 975 18 1417 1418
+ 976 18 1420 1422
+ 977 18 1420 1421
+ 978 18 1423 1425
+ 979 18 1423 1424
+ 980 18 1426 1428
+ 981 18 1426 1427
+ 982 18 1429 1430
+ 983 18 1429 1431
+ 984 18 1432 1434
+ 985 18 1432 1433
+ 986 18 1435 1436
+ 987 18 1435 1437
+ 988 18 1438 1439
+ 989 18 1438 1440
+ 990 18 1441 1442
+ 991 18 1441 1443
+ 992 18 1444 1445
+ 993 18 1444 1446
+ 994 18 1447 1448
+ 995 18 1447 1449
+ 996 18 1450 1451
+ 997 18 1450 1452
+ 998 18 1453 1455
+ 999 18 1453 1454
+ 1000 18 1456 1457
+ 1001 18 1456 1458
+ 1002 18 1459 1461
+ 1003 18 1459 1460
+ 1004 18 1462 1463
+ 1005 18 1462 1464
+ 1006 18 1465 1466
+ 1007 18 1465 1467
+ 1008 18 1468 1470
+ 1009 18 1468 1469
+ 1010 18 1471 1472
+ 1011 18 1471 1473
+ 1012 18 1474 1476
+ 1013 18 1474 1475
+ 1014 18 1477 1478
+ 1015 18 1477 1479
+ 1016 18 1480 1482
+ 1017 18 1480 1481
+ 1018 18 1483 1485
+ 1019 18 1483 1484
+ 1020 18 1486 1488
+ 1021 18 1486 1487
+ 1022 18 1489 1491
+ 1023 18 1489 1490
+ 1024 18 1492 1493
+ 1025 18 1492 1494
+ 1026 18 1495 1496
+ 1027 18 1495 1497
+ 1028 18 1498 1499
+ 1029 18 1498 1500
+ 1030 18 1501 1502
+ 1031 18 1501 1503
+ 1032 18 1504 1505
+ 1033 18 1504 1506
+ 1034 18 1507 1509
+ 1035 18 1507 1508
+ 1036 18 1510 1512
+ 1037 18 1510 1511
+ 1038 18 1513 1515
+ 1039 18 1513 1514
+ 1040 18 1516 1518
+ 1041 18 1516 1517
+ 1042 18 1519 1520
+ 1043 18 1519 1521
+ 1044 18 1522 1524
+ 1045 18 1522 1523
+ 1046 18 1525 1526
+ 1047 18 1525 1527
+ 1048 18 1528 1529
+ 1049 18 1528 1530
+ 1050 18 1531 1533
+ 1051 18 1531 1532
+ 1052 18 1534 1536
+ 1053 18 1534 1535
+ 1054 18 1537 1539
+ 1055 18 1537 1538
+ 1056 18 1540 1541
+ 1057 18 1540 1542
+ 1058 18 1543 1545
+ 1059 18 1543 1544
+ 1060 18 1546 1547
+ 1061 18 1546 1548
+ 1062 18 1549 1551
+ 1063 18 1549 1550
+ 1064 18 1552 1553
+ 1065 18 1552 1554
+ 1066 18 1555 1557
+ 1067 18 1555 1556
+ 1068 18 1558 1559
+ 1069 18 1558 1560
+ 1070 18 1561 1562
+ 1071 18 1561 1563
+ 1072 18 1564 1565
+ 1073 18 1564 1566
+ 1074 18 1567 1569
+ 1075 18 1567 1568
+ 1076 18 1570 1571
+ 1077 18 1570 1572
+ 1078 18 1573 1575
+ 1079 18 1573 1574
+ 1080 18 1576 1578
+ 1081 18 1576 1577
+ 1082 18 1579 1581
+ 1083 18 1579 1580
+ 1084 18 1582 1584
+ 1085 18 1582 1583
+ 1086 18 1585 1586
+ 1087 18 1585 1587
+ 1088 18 1588 1590
+ 1089 18 1588 1589
+ 1090 18 1591 1592
+ 1091 18 1591 1593
+ 1092 18 1594 1596
+ 1093 18 1594 1595
+ 1094 18 1597 1598
+ 1095 18 1597 1599
+ 1096 18 1600 1602
+ 1097 18 1600 1601
+ 1098 18 1603 1605
+ 1099 18 1603 1604
+ 1100 18 1606 1608
+ 1101 18 1606 1607
+ 1102 18 1609 1610
+ 1103 18 1609 1611
+ 1104 18 1612 1614
+ 1105 18 1612 1613
+ 1106 18 1615 1617
+ 1107 18 1615 1616
+ 1108 18 1618 1620
+ 1109 18 1618 1619
+ 1110 18 1621 1623
+ 1111 18 1621 1622
+ 1112 18 1624 1625
+ 1113 18 1624 1626
+ 1114 18 1627 1629
+ 1115 18 1627 1628
+ 1116 18 1630 1631
+ 1117 18 1630 1632
+ 1118 18 1633 1635
+ 1119 18 1633 1634
+ 1120 18 1636 1637
+ 1121 18 1636 1638
+ 1122 18 1639 1641
+ 1123 18 1639 1640
+ 1124 18 1642 1643
+ 1125 18 1642 1644
+ 1126 18 1645 1646
+ 1127 18 1645 1647
+ 1128 18 1648 1650
+ 1129 18 1648 1649
+ 1130 18 1651 1653
+ 1131 18 1651 1652
+ 1132 18 1654 1656
+ 1133 18 1654 1655
+ 1134 18 1657 1658
+ 1135 18 1657 1659
+ 1136 18 1660 1661
+ 1137 18 1660 1662
+ 1138 18 1663 1664
+ 1139 18 1663 1665
+ 1140 18 1666 1668
+ 1141 18 1666 1667
+ 1142 18 1669 1670
+ 1143 18 1669 1671
+ 1144 18 1672 1674
+ 1145 18 1672 1673
+ 1146 18 1675 1676
+ 1147 18 1675 1677
+ 1148 18 1678 1680
+ 1149 18 1678 1679
+ 1150 18 1681 1683
+ 1151 18 1681 1682
+ 1152 18 1684 1685
+ 1153 18 1684 1686
+ 1154 18 1687 1688
+ 1155 18 1687 1689
+ 1156 18 1690 1691
+ 1157 18 1690 1692
+ 1158 18 1693 1695
+ 1159 18 1693 1694
+ 1160 18 1696 1697
+ 1161 18 1696 1698
+ 1162 18 1699 1701
+ 1163 18 1699 1700
+ 1164 18 1702 1703
+ 1165 18 1702 1704
+ 1166 18 1705 1707
+ 1167 18 1705 1706
+ 1168 18 1708 1709
+ 1169 18 1708 1710
+ 1170 18 1711 1712
+ 1171 18 1711 1713
+ 1172 18 1714 1716
+ 1173 18 1714 1715
+ 1174 18 1717 1718
+ 1175 18 1717 1719
+ 1176 18 1720 1721
+ 1177 18 1720 1722
+ 1178 18 1723 1724
+ 1179 18 1723 1725
+ 1180 18 1726 1727
+ 1181 18 1726 1728
+ 1182 18 1729 1730
+ 1183 18 1729 1731
+ 1184 18 1732 1734
+ 1185 18 1732 1733
+ 1186 18 1735 1737
+ 1187 18 1735 1736
+ 1188 18 1738 1740
+ 1189 18 1738 1739
+ 1190 18 1741 1743
+ 1191 18 1741 1742
+ 1192 18 1744 1745
+ 1193 18 1744 1746
+ 1194 18 1747 1749
+ 1195 18 1747 1748
+ 1196 18 1750 1751
+ 1197 18 1750 1752
+ 1198 18 1753 1755
+ 1199 18 1753 1754
+ 1200 18 1756 1758
+ 1201 18 1756 1757
+ 1202 18 1759 1760
+ 1203 18 1759 1761
+ 1204 18 1762 1764
+ 1205 18 1762 1763
+ 1206 18 1765 1767
+ 1207 18 1765 1766
+ 1208 18 1768 1769
+ 1209 18 1768 1770
+ 1210 18 1771 1773
+ 1211 18 1771 1772
+ 1212 18 1774 1776
+ 1213 18 1774 1775
+ 1214 18 1777 1779
+ 1215 18 1777 1778
+ 1216 18 1780 1781
+ 1217 18 1780 1782
+ 1218 18 1783 1784
+ 1219 18 1783 1785
+ 1220 18 1786 1787
+ 1221 18 1786 1788
+ 1222 18 1789 1790
+ 1223 18 1789 1791
+ 1224 18 1792 1793
+ 1225 18 1792 1794
+ 1226 18 1795 1796
+ 1227 18 1795 1797
+ 1228 18 1798 1799
+ 1229 18 1798 1800
+ 1230 18 1801 1803
+ 1231 18 1801 1802
+ 1232 18 1804 1806
+ 1233 18 1804 1805
+ 1234 18 1807 1809
+ 1235 18 1807 1808
+ 1236 18 1810 1812
+ 1237 18 1810 1811
+ 1238 18 1813 1815
+ 1239 18 1813 1814
+ 1240 18 1816 1818
+ 1241 18 1816 1817
+ 1242 18 1819 1821
+ 1243 18 1819 1820
+ 1244 18 1822 1823
+ 1245 18 1822 1824
+ 1246 18 1825 1827
+ 1247 18 1825 1826
+ 1248 18 1828 1830
+ 1249 18 1828 1829
+ 1250 18 1831 1832
+ 1251 18 1831 1833
+ 1252 18 1834 1835
+ 1253 18 1834 1836
+ 1254 18 1837 1838
+ 1255 18 1837 1839
+ 1256 18 1840 1842
+ 1257 18 1840 1841
+ 1258 18 1843 1845
+ 1259 18 1843 1844
+ 1260 18 1846 1848
+ 1261 18 1846 1847
+ 1262 18 1849 1851
+ 1263 18 1849 1850
+ 1264 18 1852 1854
+ 1265 18 1852 1853
+ 1266 18 1855 1856
+ 1267 18 1855 1857
+ 1268 18 1858 1859
+ 1269 18 1858 1860
+ 1270 18 1861 1862
+ 1271 18 1861 1863
+ 1272 18 1864 1866
+ 1273 18 1864 1865
+ 1274 18 1867 1869
+ 1275 18 1867 1868
+ 1276 18 1870 1871
+ 1277 18 1870 1872
+ 1278 18 1873 1874
+ 1279 18 1873 1875
+ 1280 18 1876 1877
+ 1281 18 1876 1878
+ 1282 18 1879 1881
+ 1283 18 1879 1880
+ 1284 18 1882 1883
+ 1285 18 1882 1884
+ 1286 18 1885 1886
+ 1287 18 1885 1887
+ 1288 18 1888 1890
+ 1289 18 1888 1889
+ 1290 18 1891 1892
+ 1291 18 1891 1893
+ 1292 18 1894 1896
+ 1293 18 1894 1895
+ 1294 18 1897 1898
+ 1295 18 1897 1899
+ 1296 18 1900 1902
+ 1297 18 1900 1901
+ 1298 18 1903 1905
+ 1299 18 1903 1904
+ 1300 18 1906 1908
+ 1301 18 1906 1907
+ 1302 18 1909 1911
+ 1303 18 1909 1910
+ 1304 18 1912 1913
+ 1305 18 1912 1914
+ 1306 18 1915 1916
+ 1307 18 1915 1917
+ 1308 18 1918 1920
+ 1309 18 1918 1919
+ 1310 18 1921 1923
+ 1311 18 1921 1922
+ 1312 18 1924 1926
+ 1313 18 1924 1925
+ 1314 18 1927 1929
+ 1315 18 1927 1928
+ 1316 18 1930 1932
+ 1317 18 1930 1931
+ 1318 18 1933 1935
+ 1319 18 1933 1934
+ 1320 18 1936 1937
+ 1321 18 1936 1938
+ 1322 18 1939 1940
+ 1323 18 1939 1941
+ 1324 18 1942 1944
+ 1325 18 1942 1943
+ 1326 18 1945 1947
+ 1327 18 1945 1946
+ 1328 18 1948 1950
+ 1329 18 1948 1949
+ 1330 18 1951 1953
+ 1331 18 1951 1952
+ 1332 18 1954 1955
+ 1333 18 1954 1956
+ 1334 18 1957 1959
+ 1335 18 1957 1958
+ 1336 18 1960 1961
+ 1337 18 1960 1962
+ 1338 18 1963 1965
+ 1339 18 1963 1964
+ 1340 18 1966 1967
+ 1341 18 1966 1968
+ 1342 18 1969 1970
+ 1343 18 1969 1971
+ 1344 18 1972 1974
+ 1345 18 1972 1973
+ 1346 18 1975 1977
+ 1347 18 1975 1976
+ 1348 18 1978 1979
+ 1349 18 1978 1980
+ 1350 18 1981 1982
+ 1351 18 1981 1983
+ 1352 18 1984 1986
+ 1353 18 1984 1985
+ 1354 18 1987 1988
+ 1355 18 1987 1989
+ 1356 18 1990 1992
+ 1357 18 1990 1991
+ 1358 18 1993 1995
+ 1359 18 1993 1994
+ 1360 18 1996 1998
+ 1361 18 1996 1997
+ 1362 18 1999 2000
+ 1363 18 1999 2001
+ 1364 18 2002 2004
+ 1365 18 2002 2003
+
+Angles
+
+ 1 5 2 1 7
+ 2 4 2 1 3
+ 3 6 3 1 7
+ 4 7 4 2 5
+ 5 7 5 2 6
+ 6 1 1 2 5
+ 7 1 1 2 6
+ 8 1 1 2 4
+ 9 7 4 2 6
+ 10 2 1 7 8
+ 11 3 1 7 19
+ 12 11 8 7 19
+ 13 9 7 8 11
+ 14 8 7 8 9
+ 15 16 11 8 20
+ 16 15 9 8 20
+ 17 14 9 8 11
+ 18 10 7 8 20
+ 19 5 8 9 28
+ 20 4 8 9 10
+ 21 6 10 9 28
+ 22 18 12 11 22
+ 23 23 21 11 22
+ 24 12 8 11 12
+ 25 13 8 11 21
+ 26 18 12 11 21
+ 27 13 8 11 22
+ 28 19 13 12 14
+ 29 17 11 12 14
+ 30 17 11 12 13
+ 31 20 15 13 23
+ 32 20 12 13 23
+ 33 19 12 13 15
+ 34 20 12 14 24
+ 35 20 16 14 24
+ 36 19 12 14 16
+ 37 20 13 15 25
+ 38 20 17 15 25
+ 39 19 13 15 17
+ 40 20 14 16 26
+ 41 19 14 16 17
+ 42 20 17 16 26
+ 43 21 15 17 18
+ 44 19 15 17 16
+ 45 21 16 17 18
+ 46 22 17 18 27
+ 47 2 9 28 29
+ 48 3 9 28 32
+ 49 11 29 28 32
+ 50 15 30 29 34
+ 51 10 28 29 33
+ 52 10 28 29 34
+ 53 15 30 29 33
+ 54 24 33 29 34
+ 55 8 28 29 30
+ 56 6 31 30 35
+ 57 5 29 30 35
+ 58 4 29 30 31
+ 59 2 30 35 36
+ 60 3 30 35 39
+ 61 11 36 35 39
+ 62 8 35 36 37
+ 63 10 35 36 41
+ 64 10 35 36 40
+ 65 24 40 36 41
+ 66 15 37 36 40
+ 67 15 37 36 41
+ 68 6 38 37 42
+ 69 5 36 37 42
+ 70 4 36 37 38
+ 71 11 43 42 53
+ 72 2 37 42 43
+ 73 3 37 42 53
+ 74 10 42 43 54
+ 75 16 46 43 54
+ 76 14 44 43 46
+ 77 9 42 43 46
+ 78 8 42 43 44
+ 79 15 44 43 54
+ 80 5 43 44 62
+ 81 6 45 44 62
+ 82 4 43 44 45
+ 83 13 43 46 55
+ 84 13 43 46 56
+ 85 12 43 46 47
+ 86 23 55 46 56
+ 87 18 47 46 56
+ 88 18 47 46 55
+ 89 17 46 47 49
+ 90 17 46 47 48
+ 91 19 48 47 49
+ 92 20 50 48 57
+ 93 19 47 48 50
+ 94 20 47 48 57
+ 95 20 51 49 58
+ 96 19 47 49 51
+ 97 20 47 49 58
+ 98 20 48 50 59
+ 99 19 48 50 52
+ 100 20 52 50 59
+ 101 20 52 51 60
+ 102 20 49 51 60
+ 103 19 49 51 52
+ 104 20 50 52 61
+ 105 19 50 52 51
+ 106 20 51 52 61
+ 107 2 44 62 63
+ 108 3 44 62 70
+ 109 11 63 62 70
+ 110 16 66 63 71
+ 111 15 64 63 71
+ 112 14 64 63 66
+ 113 10 62 63 71
+ 114 9 62 63 66
+ 115 8 62 63 64
+ 116 4 63 64 65
+ 117 6 65 64 79
+ 118 5 63 64 79
+ 119 23 72 66 73
+ 120 27 67 66 73
+ 121 27 67 66 72
+ 122 25 63 66 67
+ 123 13 63 66 73
+ 124 13 63 66 72
+ 125 29 68 67 75
+ 126 23 74 67 75
+ 127 29 68 67 74
+ 128 26 66 67 68
+ 129 27 66 67 74
+ 130 27 66 67 75
+ 131 28 67 68 69
+ 132 29 68 69 76
+ 133 29 68 69 77
+ 134 29 68 69 78
+ 135 7 76 69 78
+ 136 7 76 69 77
+ 137 7 77 69 78
+ 138 3 64 79 81
+ 139 2 64 79 80
+ 140 11 80 79 81
+ 141 7 83 80 84
+ 142 30 79 80 84
+ 143 7 82 80 83
+ 144 30 79 80 83
+ 145 30 79 80 82
+ 146 7 82 80 84
+ 147 31 86 85 87
+ 148 31 89 88 90
+ 149 31 92 91 93
+ 150 31 95 94 96
+ 151 31 98 97 99
+ 152 31 101 100 102
+ 153 31 104 103 105
+ 154 31 107 106 108
+ 155 31 110 109 111
+ 156 31 113 112 114
+ 157 31 116 115 117
+ 158 31 119 118 120
+ 159 31 122 121 123
+ 160 31 125 124 126
+ 161 31 128 127 129
+ 162 31 131 130 132
+ 163 31 134 133 135
+ 164 31 137 136 138
+ 165 31 140 139 141
+ 166 31 143 142 144
+ 167 31 146 145 147
+ 168 31 149 148 150
+ 169 31 152 151 153
+ 170 31 155 154 156
+ 171 31 158 157 159
+ 172 31 161 160 162
+ 173 31 164 163 165
+ 174 31 167 166 168
+ 175 31 170 169 171
+ 176 31 173 172 174
+ 177 31 176 175 177
+ 178 31 179 178 180
+ 179 31 182 181 183
+ 180 31 185 184 186
+ 181 31 188 187 189
+ 182 31 191 190 192
+ 183 31 194 193 195
+ 184 31 197 196 198
+ 185 31 200 199 201
+ 186 31 203 202 204
+ 187 31 206 205 207
+ 188 31 209 208 210
+ 189 31 212 211 213
+ 190 31 215 214 216
+ 191 31 218 217 219
+ 192 31 221 220 222
+ 193 31 224 223 225
+ 194 31 227 226 228
+ 195 31 230 229 231
+ 196 31 233 232 234
+ 197 31 236 235 237
+ 198 31 239 238 240
+ 199 31 242 241 243
+ 200 31 245 244 246
+ 201 31 248 247 249
+ 202 31 251 250 252
+ 203 31 254 253 255
+ 204 31 257 256 258
+ 205 31 260 259 261
+ 206 31 263 262 264
+ 207 31 266 265 267
+ 208 31 269 268 270
+ 209 31 272 271 273
+ 210 31 275 274 276
+ 211 31 278 277 279
+ 212 31 281 280 282
+ 213 31 284 283 285
+ 214 31 287 286 288
+ 215 31 290 289 291
+ 216 31 293 292 294
+ 217 31 296 295 297
+ 218 31 299 298 300
+ 219 31 302 301 303
+ 220 31 305 304 306
+ 221 31 308 307 309
+ 222 31 311 310 312
+ 223 31 314 313 315
+ 224 31 317 316 318
+ 225 31 320 319 321
+ 226 31 323 322 324
+ 227 31 326 325 327
+ 228 31 329 328 330
+ 229 31 332 331 333
+ 230 31 335 334 336
+ 231 31 338 337 339
+ 232 31 341 340 342
+ 233 31 344 343 345
+ 234 31 347 346 348
+ 235 31 350 349 351
+ 236 31 353 352 354
+ 237 31 356 355 357
+ 238 31 359 358 360
+ 239 31 362 361 363
+ 240 31 365 364 366
+ 241 31 368 367 369
+ 242 31 371 370 372
+ 243 31 374 373 375
+ 244 31 377 376 378
+ 245 31 380 379 381
+ 246 31 383 382 384
+ 247 31 386 385 387
+ 248 31 389 388 390
+ 249 31 392 391 393
+ 250 31 395 394 396
+ 251 31 398 397 399
+ 252 31 401 400 402
+ 253 31 404 403 405
+ 254 31 407 406 408
+ 255 31 410 409 411
+ 256 31 413 412 414
+ 257 31 416 415 417
+ 258 31 419 418 420
+ 259 31 422 421 423
+ 260 31 425 424 426
+ 261 31 428 427 429
+ 262 31 431 430 432
+ 263 31 434 433 435
+ 264 31 437 436 438
+ 265 31 440 439 441
+ 266 31 443 442 444
+ 267 31 446 445 447
+ 268 31 449 448 450
+ 269 31 452 451 453
+ 270 31 455 454 456
+ 271 31 458 457 459
+ 272 31 461 460 462
+ 273 31 464 463 465
+ 274 31 467 466 468
+ 275 31 470 469 471
+ 276 31 473 472 474
+ 277 31 476 475 477
+ 278 31 479 478 480
+ 279 31 482 481 483
+ 280 31 485 484 486
+ 281 31 488 487 489
+ 282 31 491 490 492
+ 283 31 494 493 495
+ 284 31 497 496 498
+ 285 31 500 499 501
+ 286 31 503 502 504
+ 287 31 506 505 507
+ 288 31 509 508 510
+ 289 31 512 511 513
+ 290 31 515 514 516
+ 291 31 518 517 519
+ 292 31 521 520 522
+ 293 31 524 523 525
+ 294 31 527 526 528
+ 295 31 530 529 531
+ 296 31 533 532 534
+ 297 31 536 535 537
+ 298 31 539 538 540
+ 299 31 542 541 543
+ 300 31 545 544 546
+ 301 31 548 547 549
+ 302 31 551 550 552
+ 303 31 554 553 555
+ 304 31 557 556 558
+ 305 31 560 559 561
+ 306 31 563 562 564
+ 307 31 566 565 567
+ 308 31 569 568 570
+ 309 31 572 571 573
+ 310 31 575 574 576
+ 311 31 578 577 579
+ 312 31 581 580 582
+ 313 31 584 583 585
+ 314 31 587 586 588
+ 315 31 590 589 591
+ 316 31 593 592 594
+ 317 31 596 595 597
+ 318 31 599 598 600
+ 319 31 602 601 603
+ 320 31 605 604 606
+ 321 31 608 607 609
+ 322 31 611 610 612
+ 323 31 614 613 615
+ 324 31 617 616 618
+ 325 31 620 619 621
+ 326 31 623 622 624
+ 327 31 626 625 627
+ 328 31 629 628 630
+ 329 31 632 631 633
+ 330 31 635 634 636
+ 331 31 638 637 639
+ 332 31 641 640 642
+ 333 31 644 643 645
+ 334 31 647 646 648
+ 335 31 650 649 651
+ 336 31 653 652 654
+ 337 31 656 655 657
+ 338 31 659 658 660
+ 339 31 662 661 663
+ 340 31 665 664 666
+ 341 31 668 667 669
+ 342 31 671 670 672
+ 343 31 674 673 675
+ 344 31 677 676 678
+ 345 31 680 679 681
+ 346 31 683 682 684
+ 347 31 686 685 687
+ 348 31 689 688 690
+ 349 31 692 691 693
+ 350 31 695 694 696
+ 351 31 698 697 699
+ 352 31 701 700 702
+ 353 31 704 703 705
+ 354 31 707 706 708
+ 355 31 710 709 711
+ 356 31 713 712 714
+ 357 31 716 715 717
+ 358 31 719 718 720
+ 359 31 722 721 723
+ 360 31 725 724 726
+ 361 31 728 727 729
+ 362 31 731 730 732
+ 363 31 734 733 735
+ 364 31 737 736 738
+ 365 31 740 739 741
+ 366 31 743 742 744
+ 367 31 746 745 747
+ 368 31 749 748 750
+ 369 31 752 751 753
+ 370 31 755 754 756
+ 371 31 758 757 759
+ 372 31 761 760 762
+ 373 31 764 763 765
+ 374 31 767 766 768
+ 375 31 770 769 771
+ 376 31 773 772 774
+ 377 31 776 775 777
+ 378 31 779 778 780
+ 379 31 782 781 783
+ 380 31 785 784 786
+ 381 31 788 787 789
+ 382 31 791 790 792
+ 383 31 794 793 795
+ 384 31 797 796 798
+ 385 31 800 799 801
+ 386 31 803 802 804
+ 387 31 806 805 807
+ 388 31 809 808 810
+ 389 31 812 811 813
+ 390 31 815 814 816
+ 391 31 818 817 819
+ 392 31 821 820 822
+ 393 31 824 823 825
+ 394 31 827 826 828
+ 395 31 830 829 831
+ 396 31 833 832 834
+ 397 31 836 835 837
+ 398 31 839 838 840
+ 399 31 842 841 843
+ 400 31 845 844 846
+ 401 31 848 847 849
+ 402 31 851 850 852
+ 403 31 854 853 855
+ 404 31 857 856 858
+ 405 31 860 859 861
+ 406 31 863 862 864
+ 407 31 866 865 867
+ 408 31 869 868 870
+ 409 31 872 871 873
+ 410 31 875 874 876
+ 411 31 878 877 879
+ 412 31 881 880 882
+ 413 31 884 883 885
+ 414 31 887 886 888
+ 415 31 890 889 891
+ 416 31 893 892 894
+ 417 31 896 895 897
+ 418 31 899 898 900
+ 419 31 902 901 903
+ 420 31 905 904 906
+ 421 31 908 907 909
+ 422 31 911 910 912
+ 423 31 914 913 915
+ 424 31 917 916 918
+ 425 31 920 919 921
+ 426 31 923 922 924
+ 427 31 926 925 927
+ 428 31 929 928 930
+ 429 31 932 931 933
+ 430 31 935 934 936
+ 431 31 938 937 939
+ 432 31 941 940 942
+ 433 31 944 943 945
+ 434 31 947 946 948
+ 435 31 950 949 951
+ 436 31 953 952 954
+ 437 31 956 955 957
+ 438 31 959 958 960
+ 439 31 962 961 963
+ 440 31 965 964 966
+ 441 31 968 967 969
+ 442 31 971 970 972
+ 443 31 974 973 975
+ 444 31 977 976 978
+ 445 31 980 979 981
+ 446 31 983 982 984
+ 447 31 986 985 987
+ 448 31 989 988 990
+ 449 31 992 991 993
+ 450 31 995 994 996
+ 451 31 998 997 999
+ 452 31 1001 1000 1002
+ 453 31 1004 1003 1005
+ 454 31 1007 1006 1008
+ 455 31 1010 1009 1011
+ 456 31 1013 1012 1014
+ 457 31 1016 1015 1017
+ 458 31 1019 1018 1020
+ 459 31 1022 1021 1023
+ 460 31 1025 1024 1026
+ 461 31 1028 1027 1029
+ 462 31 1031 1030 1032
+ 463 31 1034 1033 1035
+ 464 31 1037 1036 1038
+ 465 31 1040 1039 1041
+ 466 31 1043 1042 1044
+ 467 31 1046 1045 1047
+ 468 31 1049 1048 1050
+ 469 31 1052 1051 1053
+ 470 31 1055 1054 1056
+ 471 31 1058 1057 1059
+ 472 31 1061 1060 1062
+ 473 31 1064 1063 1065
+ 474 31 1067 1066 1068
+ 475 31 1070 1069 1071
+ 476 31 1073 1072 1074
+ 477 31 1076 1075 1077
+ 478 31 1079 1078 1080
+ 479 31 1082 1081 1083
+ 480 31 1085 1084 1086
+ 481 31 1088 1087 1089
+ 482 31 1091 1090 1092
+ 483 31 1094 1093 1095
+ 484 31 1097 1096 1098
+ 485 31 1100 1099 1101
+ 486 31 1103 1102 1104
+ 487 31 1106 1105 1107
+ 488 31 1109 1108 1110
+ 489 31 1112 1111 1113
+ 490 31 1115 1114 1116
+ 491 31 1118 1117 1119
+ 492 31 1121 1120 1122
+ 493 31 1124 1123 1125
+ 494 31 1127 1126 1128
+ 495 31 1130 1129 1131
+ 496 31 1133 1132 1134
+ 497 31 1136 1135 1137
+ 498 31 1139 1138 1140
+ 499 31 1142 1141 1143
+ 500 31 1145 1144 1146
+ 501 31 1148 1147 1149
+ 502 31 1151 1150 1152
+ 503 31 1154 1153 1155
+ 504 31 1157 1156 1158
+ 505 31 1160 1159 1161
+ 506 31 1163 1162 1164
+ 507 31 1166 1165 1167
+ 508 31 1169 1168 1170
+ 509 31 1172 1171 1173
+ 510 31 1175 1174 1176
+ 511 31 1178 1177 1179
+ 512 31 1181 1180 1182
+ 513 31 1184 1183 1185
+ 514 31 1187 1186 1188
+ 515 31 1190 1189 1191
+ 516 31 1193 1192 1194
+ 517 31 1196 1195 1197
+ 518 31 1199 1198 1200
+ 519 31 1202 1201 1203
+ 520 31 1205 1204 1206
+ 521 31 1208 1207 1209
+ 522 31 1211 1210 1212
+ 523 31 1214 1213 1215
+ 524 31 1217 1216 1218
+ 525 31 1220 1219 1221
+ 526 31 1223 1222 1224
+ 527 31 1226 1225 1227
+ 528 31 1229 1228 1230
+ 529 31 1232 1231 1233
+ 530 31 1235 1234 1236
+ 531 31 1238 1237 1239
+ 532 31 1241 1240 1242
+ 533 31 1244 1243 1245
+ 534 31 1247 1246 1248
+ 535 31 1250 1249 1251
+ 536 31 1253 1252 1254
+ 537 31 1256 1255 1257
+ 538 31 1259 1258 1260
+ 539 31 1262 1261 1263
+ 540 31 1265 1264 1266
+ 541 31 1268 1267 1269
+ 542 31 1271 1270 1272
+ 543 31 1274 1273 1275
+ 544 31 1277 1276 1278
+ 545 31 1280 1279 1281
+ 546 31 1283 1282 1284
+ 547 31 1286 1285 1287
+ 548 31 1289 1288 1290
+ 549 31 1292 1291 1293
+ 550 31 1295 1294 1296
+ 551 31 1298 1297 1299
+ 552 31 1301 1300 1302
+ 553 31 1304 1303 1305
+ 554 31 1307 1306 1308
+ 555 31 1310 1309 1311
+ 556 31 1313 1312 1314
+ 557 31 1316 1315 1317
+ 558 31 1319 1318 1320
+ 559 31 1322 1321 1323
+ 560 31 1325 1324 1326
+ 561 31 1328 1327 1329
+ 562 31 1331 1330 1332
+ 563 31 1334 1333 1335
+ 564 31 1337 1336 1338
+ 565 31 1340 1339 1341
+ 566 31 1343 1342 1344
+ 567 31 1346 1345 1347
+ 568 31 1349 1348 1350
+ 569 31 1352 1351 1353
+ 570 31 1355 1354 1356
+ 571 31 1358 1357 1359
+ 572 31 1361 1360 1362
+ 573 31 1364 1363 1365
+ 574 31 1367 1366 1368
+ 575 31 1370 1369 1371
+ 576 31 1373 1372 1374
+ 577 31 1376 1375 1377
+ 578 31 1379 1378 1380
+ 579 31 1382 1381 1383
+ 580 31 1385 1384 1386
+ 581 31 1388 1387 1389
+ 582 31 1391 1390 1392
+ 583 31 1394 1393 1395
+ 584 31 1397 1396 1398
+ 585 31 1400 1399 1401
+ 586 31 1403 1402 1404
+ 587 31 1406 1405 1407
+ 588 31 1409 1408 1410
+ 589 31 1412 1411 1413
+ 590 31 1415 1414 1416
+ 591 31 1418 1417 1419
+ 592 31 1421 1420 1422
+ 593 31 1424 1423 1425
+ 594 31 1427 1426 1428
+ 595 31 1430 1429 1431
+ 596 31 1433 1432 1434
+ 597 31 1436 1435 1437
+ 598 31 1439 1438 1440
+ 599 31 1442 1441 1443
+ 600 31 1445 1444 1446
+ 601 31 1448 1447 1449
+ 602 31 1451 1450 1452
+ 603 31 1454 1453 1455
+ 604 31 1457 1456 1458
+ 605 31 1460 1459 1461
+ 606 31 1463 1462 1464
+ 607 31 1466 1465 1467
+ 608 31 1469 1468 1470
+ 609 31 1472 1471 1473
+ 610 31 1475 1474 1476
+ 611 31 1478 1477 1479
+ 612 31 1481 1480 1482
+ 613 31 1484 1483 1485
+ 614 31 1487 1486 1488
+ 615 31 1490 1489 1491
+ 616 31 1493 1492 1494
+ 617 31 1496 1495 1497
+ 618 31 1499 1498 1500
+ 619 31 1502 1501 1503
+ 620 31 1505 1504 1506
+ 621 31 1508 1507 1509
+ 622 31 1511 1510 1512
+ 623 31 1514 1513 1515
+ 624 31 1517 1516 1518
+ 625 31 1520 1519 1521
+ 626 31 1523 1522 1524
+ 627 31 1526 1525 1527
+ 628 31 1529 1528 1530
+ 629 31 1532 1531 1533
+ 630 31 1535 1534 1536
+ 631 31 1538 1537 1539
+ 632 31 1541 1540 1542
+ 633 31 1544 1543 1545
+ 634 31 1547 1546 1548
+ 635 31 1550 1549 1551
+ 636 31 1553 1552 1554
+ 637 31 1556 1555 1557
+ 638 31 1559 1558 1560
+ 639 31 1562 1561 1563
+ 640 31 1565 1564 1566
+ 641 31 1568 1567 1569
+ 642 31 1571 1570 1572
+ 643 31 1574 1573 1575
+ 644 31 1577 1576 1578
+ 645 31 1580 1579 1581
+ 646 31 1583 1582 1584
+ 647 31 1586 1585 1587
+ 648 31 1589 1588 1590
+ 649 31 1592 1591 1593
+ 650 31 1595 1594 1596
+ 651 31 1598 1597 1599
+ 652 31 1601 1600 1602
+ 653 31 1604 1603 1605
+ 654 31 1607 1606 1608
+ 655 31 1610 1609 1611
+ 656 31 1613 1612 1614
+ 657 31 1616 1615 1617
+ 658 31 1619 1618 1620
+ 659 31 1622 1621 1623
+ 660 31 1625 1624 1626
+ 661 31 1628 1627 1629
+ 662 31 1631 1630 1632
+ 663 31 1634 1633 1635
+ 664 31 1637 1636 1638
+ 665 31 1640 1639 1641
+ 666 31 1643 1642 1644
+ 667 31 1646 1645 1647
+ 668 31 1649 1648 1650
+ 669 31 1652 1651 1653
+ 670 31 1655 1654 1656
+ 671 31 1658 1657 1659
+ 672 31 1661 1660 1662
+ 673 31 1664 1663 1665
+ 674 31 1667 1666 1668
+ 675 31 1670 1669 1671
+ 676 31 1673 1672 1674
+ 677 31 1676 1675 1677
+ 678 31 1679 1678 1680
+ 679 31 1682 1681 1683
+ 680 31 1685 1684 1686
+ 681 31 1688 1687 1689
+ 682 31 1691 1690 1692
+ 683 31 1694 1693 1695
+ 684 31 1697 1696 1698
+ 685 31 1700 1699 1701
+ 686 31 1703 1702 1704
+ 687 31 1706 1705 1707
+ 688 31 1709 1708 1710
+ 689 31 1712 1711 1713
+ 690 31 1715 1714 1716
+ 691 31 1718 1717 1719
+ 692 31 1721 1720 1722
+ 693 31 1724 1723 1725
+ 694 31 1727 1726 1728
+ 695 31 1730 1729 1731
+ 696 31 1733 1732 1734
+ 697 31 1736 1735 1737
+ 698 31 1739 1738 1740
+ 699 31 1742 1741 1743
+ 700 31 1745 1744 1746
+ 701 31 1748 1747 1749
+ 702 31 1751 1750 1752
+ 703 31 1754 1753 1755
+ 704 31 1757 1756 1758
+ 705 31 1760 1759 1761
+ 706 31 1763 1762 1764
+ 707 31 1766 1765 1767
+ 708 31 1769 1768 1770
+ 709 31 1772 1771 1773
+ 710 31 1775 1774 1776
+ 711 31 1778 1777 1779
+ 712 31 1781 1780 1782
+ 713 31 1784 1783 1785
+ 714 31 1787 1786 1788
+ 715 31 1790 1789 1791
+ 716 31 1793 1792 1794
+ 717 31 1796 1795 1797
+ 718 31 1799 1798 1800
+ 719 31 1802 1801 1803
+ 720 31 1805 1804 1806
+ 721 31 1808 1807 1809
+ 722 31 1811 1810 1812
+ 723 31 1814 1813 1815
+ 724 31 1817 1816 1818
+ 725 31 1820 1819 1821
+ 726 31 1823 1822 1824
+ 727 31 1826 1825 1827
+ 728 31 1829 1828 1830
+ 729 31 1832 1831 1833
+ 730 31 1835 1834 1836
+ 731 31 1838 1837 1839
+ 732 31 1841 1840 1842
+ 733 31 1844 1843 1845
+ 734 31 1847 1846 1848
+ 735 31 1850 1849 1851
+ 736 31 1853 1852 1854
+ 737 31 1856 1855 1857
+ 738 31 1859 1858 1860
+ 739 31 1862 1861 1863
+ 740 31 1865 1864 1866
+ 741 31 1868 1867 1869
+ 742 31 1871 1870 1872
+ 743 31 1874 1873 1875
+ 744 31 1877 1876 1878
+ 745 31 1880 1879 1881
+ 746 31 1883 1882 1884
+ 747 31 1886 1885 1887
+ 748 31 1889 1888 1890
+ 749 31 1892 1891 1893
+ 750 31 1895 1894 1896
+ 751 31 1898 1897 1899
+ 752 31 1901 1900 1902
+ 753 31 1904 1903 1905
+ 754 31 1907 1906 1908
+ 755 31 1910 1909 1911
+ 756 31 1913 1912 1914
+ 757 31 1916 1915 1917
+ 758 31 1919 1918 1920
+ 759 31 1922 1921 1923
+ 760 31 1925 1924 1926
+ 761 31 1928 1927 1929
+ 762 31 1931 1930 1932
+ 763 31 1934 1933 1935
+ 764 31 1937 1936 1938
+ 765 31 1940 1939 1941
+ 766 31 1943 1942 1944
+ 767 31 1946 1945 1947
+ 768 31 1949 1948 1950
+ 769 31 1952 1951 1953
+ 770 31 1955 1954 1956
+ 771 31 1958 1957 1959
+ 772 31 1961 1960 1962
+ 773 31 1964 1963 1965
+ 774 31 1967 1966 1968
+ 775 31 1970 1969 1971
+ 776 31 1973 1972 1974
+ 777 31 1976 1975 1977
+ 778 31 1979 1978 1980
+ 779 31 1982 1981 1983
+ 780 31 1985 1984 1986
+ 781 31 1988 1987 1989
+ 782 31 1991 1990 1992
+ 783 31 1994 1993 1995
+ 784 31 1997 1996 1998
+ 785 31 2000 1999 2001
+ 786 31 2003 2002 2004
+
+Dihedrals
+
+ 1 6 3 1 7 8
+ 2 6 2 1 7 19
+ 3 4 2 1 7 8
+ 4 5 2 1 7 8
+ 5 6 3 1 7 19
+ 6 3 3 1 2 4
+ 7 3 3 1 2 6
+ 8 3 3 1 2 5
+ 9 3 5 2 1 7
+ 10 3 4 2 1 7
+ 11 3 6 2 1 7
+ 12 3 19 7 8 20
+ 13 1 1 7 8 9
+ 14 3 1 7 8 20
+ 15 2 1 7 8 11
+ 16 8 9 8 11 22
+ 17 3 7 8 9 10
+ 18 7 7 8 9 28
+ 19 8 7 8 11 21
+ 20 8 7 8 11 12
+ 21 3 9 8 7 19
+ 22 3 11 8 9 28
+ 23 8 7 8 11 22
+ 24 3 11 8 7 19
+ 25 10 9 8 11 12
+ 26 3 20 8 9 28
+ 27 8 9 8 11 21
+ 28 8 20 8 11 22
+ 29 8 20 8 11 21
+ 30 4 8 9 28 29
+ 31 5 8 9 28 29
+ 32 6 10 9 28 29
+ 33 11 10 9 8 11
+ 34 6 10 9 28 32
+ 35 3 10 9 8 20
+ 36 6 8 9 28 32
+ 37 9 8 11 12 13
+ 38 8 12 11 8 20
+ 39 9 8 11 12 14
+ 40 14 14 12 13 15
+ 41 13 13 12 14 24
+ 42 3 13 12 11 22
+ 43 14 13 12 14 16
+ 44 3 14 12 11 22
+ 45 3 13 12 11 21
+ 46 13 11 12 14 24
+ 47 12 11 12 14 16
+ 48 3 14 12 11 21
+ 49 13 11 12 13 23
+ 50 13 14 12 13 23
+ 51 12 11 12 13 15
+ 52 16 23 13 15 25
+ 53 13 12 13 15 25
+ 54 14 12 13 15 17
+ 55 14 12 14 16 17
+ 56 13 12 14 16 26
+ 57 16 24 14 16 26
+ 58 12 13 15 17 18
+ 59 13 17 15 13 23
+ 60 14 13 15 17 16
+ 61 12 14 16 17 18
+ 62 13 17 16 14 24
+ 63 14 14 16 17 15
+ 64 15 16 17 18 27
+ 65 13 15 17 16 26
+ 66 13 18 17 15 25
+ 67 15 15 17 18 27
+ 68 13 16 17 15 25
+ 69 13 18 17 16 26
+ 70 1 9 28 29 30
+ 71 3 32 28 29 33
+ 72 3 9 28 29 33
+ 73 3 9 28 29 34
+ 74 3 32 28 29 34
+ 75 3 33 29 30 35
+ 76 3 30 29 28 32
+ 77 3 34 29 30 35
+ 78 7 28 29 30 35
+ 79 3 28 29 30 31
+ 80 6 29 30 35 39
+ 81 4 29 30 35 36
+ 82 5 29 30 35 36
+ 83 3 31 30 29 34
+ 84 3 31 30 29 33
+ 85 6 31 30 35 39
+ 86 6 31 30 35 36
+ 87 1 30 35 36 37
+ 88 3 39 35 36 41
+ 89 3 30 35 36 40
+ 90 3 30 35 36 41
+ 91 3 39 35 36 40
+ 92 3 40 36 37 42
+ 93 3 41 36 37 42
+ 94 7 35 36 37 42
+ 95 3 35 36 37 38
+ 96 3 37 36 35 39
+ 97 6 38 37 42 53
+ 98 3 38 37 36 40
+ 99 6 38 37 42 43
+ 100 4 36 37 42 43
+ 101 6 36 37 42 53
+ 102 5 36 37 42 43
+ 103 3 38 37 36 41
+ 104 3 37 42 43 54
+ 105 1 37 42 43 44
+ 106 3 53 42 43 54
+ 107 2 37 42 43 46
+ 108 10 44 43 46 47
+ 109 3 44 43 42 53
+ 110 8 42 43 46 56
+ 111 8 42 43 46 55
+ 112 8 42 43 46 47
+ 113 3 46 43 42 53
+ 114 8 44 43 46 55
+ 115 8 54 43 46 56
+ 116 7 42 43 44 62
+ 117 3 42 43 44 45
+ 118 3 46 43 44 62
+ 119 3 54 43 44 62
+ 120 8 54 43 46 55
+ 121 8 44 43 46 56
+ 122 5 43 44 62 63
+ 123 6 45 44 62 70
+ 124 6 43 44 62 70
+ 125 4 43 44 62 63
+ 126 11 45 44 43 46
+ 127 3 45 44 43 54
+ 128 6 45 44 62 63
+ 129 9 43 46 47 48
+ 130 8 47 46 43 54
+ 131 9 43 46 47 49
+ 132 3 49 47 46 55
+ 133 13 46 47 48 57
+ 134 14 49 47 48 50
+ 135 3 49 47 46 56
+ 136 12 46 47 48 50
+ 137 12 46 47 49 51
+ 138 14 48 47 49 51
+ 139 13 46 47 49 58
+ 140 3 48 47 46 55
+ 141 3 48 47 46 56
+ 142 13 48 47 49 58
+ 143 13 49 47 48 57
+ 144 14 47 48 50 52
+ 145 16 57 48 50 59
+ 146 13 47 48 50 59
+ 147 16 58 49 51 60
+ 148 13 47 49 51 60
+ 149 14 47 49 51 52
+ 150 13 48 50 52 61
+ 151 14 48 50 52 51
+ 152 16 59 50 52 61
+ 153 13 52 50 48 57
+ 154 14 49 51 52 50
+ 155 13 49 51 52 61
+ 156 13 52 51 49 58
+ 157 16 60 51 52 61
+ 158 13 51 52 50 59
+ 159 13 50 52 51 60
+ 160 3 70 62 63 71
+ 161 2 44 62 63 66
+ 162 1 44 62 63 64
+ 163 3 44 62 63 71
+ 164 8 62 63 66 72
+ 165 8 62 63 66 67
+ 166 3 71 63 64 79
+ 167 3 62 63 64 65
+ 168 3 64 63 62 70
+ 169 8 62 63 66 73
+ 170 7 62 63 64 79
+ 171 8 64 63 66 67
+ 172 3 66 63 64 79
+ 173 8 64 63 66 72
+ 174 3 66 63 62 70
+ 175 8 71 63 66 73
+ 176 8 64 63 66 73
+ 177 8 71 63 66 72
+ 178 6 63 64 79 81
+ 179 6 65 64 79 80
+ 180 3 65 64 63 71
+ 181 4 63 64 79 80
+ 182 6 65 64 79 81
+ 183 5 63 64 79 80
+ 184 11 65 64 63 66
+ 185 8 67 66 63 71
+ 186 17 63 66 67 74
+ 187 17 72 66 67 75
+ 188 17 63 66 67 75
+ 189 17 63 66 67 68
+ 190 17 73 66 67 74
+ 191 17 73 66 67 75
+ 192 17 72 66 67 74
+ 193 19 66 67 68 69
+ 194 21 68 67 66 72
+ 195 18 66 67 68 69
+ 196 21 68 67 66 73
+ 197 20 69 68 67 74
+ 198 20 69 68 67 75
+ 199 20 67 68 69 77
+ 200 20 67 68 69 76
+ 201 20 67 68 69 78
+ 202 3 81 79 80 83
+ 203 3 81 79 80 84
+ 204 3 64 79 80 84
+ 205 3 81 79 80 82
+ 206 3 64 79 80 83
+ 207 3 64 79 80 82
+
+Impropers
+
+ 1 2 7 1 8 19
+ 2 1 1 2 7 3
+ 3 1 9 8 28 10
+ 4 2 28 9 29 32
+ 5 1 30 29 35 31
+ 6 2 35 30 36 39
+ 7 1 37 36 42 38
+ 8 2 42 37 43 53
+ 9 1 44 43 62 45
+ 10 2 62 44 63 70
+ 11 1 64 63 79 65
+ 12 2 79 64 80 81
diff --git a/examples/USER/misc/filter-corotate/peptide/in.equil b/examples/USER/misc/filter-corotate/peptide/in.equil
new file mode 100644
index 000000000..6226eb73a
--- /dev/null
+++ b/examples/USER/misc/filter-corotate/peptide/in.equil
@@ -0,0 +1,32 @@
+# Solvated 5-mer peptide, run for 20ps in NVT
+
+units real
+atom_style full
+
+pair_style lj/charmm/coul/long 8.0 10.0 10.0
+bond_style harmonic
+angle_style charmm
+dihedral_style charmm
+improper_style harmonic
+kspace_style pppm 0.0001
+
+read_data data.peptide
+
+neighbor 2.0 bin
+neigh_modify delay 5
+
+thermo 50
+dump dump1 all atom 100 peptide.dump
+
+timestep 8
+
+run_style respa 3 2 8 bond 1 pair 2 kspace 3
+
+fix 1 all nvt temp 250.0 250.0 100.0 tchain 1
+fix cor all filter/corotate m 1.0
+run 2500
+unfix cor
+unfix 1
+
+
+
diff --git a/examples/USER/misc/filter-corotate/peptide/log.lammps b/examples/USER/misc/filter-corotate/peptide/log.lammps
new file mode 100644
index 000000000..9e6122bb1
--- /dev/null
+++ b/examples/USER/misc/filter-corotate/peptide/log.lammps
@@ -0,0 +1,174 @@
+LAMMPS (26 Jan 2017)
+# Solvated 5-mer peptide, run for 20ps in NVT
+
+units real
+atom_style full
+
+pair_style lj/charmm/coul/long 8.0 10.0 10.0
+bond_style harmonic
+angle_style charmm
+dihedral_style charmm
+improper_style harmonic
+kspace_style pppm 0.0001
+
+read_data data.peptide
+ orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
+ 1 by 2 by 2 MPI processor grid
+ reading atoms ...
+ 2004 atoms
+ reading velocities ...
+ 2004 velocities
+ scanning bonds ...
+ 3 = max bonds/atom
+ scanning angles ...
+ 6 = max angles/atom
+ scanning dihedrals ...
+ 14 = max dihedrals/atom
+ scanning impropers ...
+ 1 = max impropers/atom
+ reading bonds ...
+ 1365 bonds
+ reading angles ...
+ 786 angles
+ reading dihedrals ...
+ 207 dihedrals
+ reading impropers ...
+ 12 impropers
+ 4 = max # of 1-2 neighbors
+ 7 = max # of 1-3 neighbors
+ 14 = max # of 1-4 neighbors
+ 18 = max # of special neighbors
+
+neighbor 2.0 bin
+neigh_modify delay 5
+
+thermo 50
+dump dump1 all atom 100 peptide.dump
+
+timestep 8
+
+run_style respa 3 2 8 bond 1 pair 2 kspace 3
+Respa levels:
+ 1 = bond angle dihedral improper
+ 2 = pair
+ 3 = kspace
+
+fix 1 all nvt temp 250.0 250.0 100.0 tchain 1
+fix cor all filter/corotate m 1.0
+ 19 = # of size 2 clusters
+ 0 = # of size 3 clusters
+ 3 = # of size 4 clusters
+ 0 = # of size 5 clusters
+ 646 = # of frozen angles
+run 2500
+PPPM initialization ...
+WARNING: Using 12-bit tables for long-range coulomb (../kspace.cpp:317)
+ G vector (1/distance) = 0.268725
+ grid = 15 15 15
+ stencil order = 5
+ estimated absolute RMS force accuracy = 0.0228209
+ estimated relative force accuracy = 6.87243e-05
+ using double precision FFTs
+ 3d grid and FFT values/proc = 4312 960
+Neighbor list info ...
+ update every 1 steps, delay 5 steps, check yes
+ max neighbors/atom: 2000, page size: 100000
+ master list distance cutoff = 12
+ ghost atom cutoff = 12
+ binsize = 6, bins = 5 5 5
+ 1 neighbor lists, perpetual/occasional/extra = 1 0 0
+ (1) pair lj/charmm/coul/long, half, perpetual
+ pair build: half/bin/newton
+ stencil: half/bin/3d/newton
+ bin: standard
+Memory usage per processor = 17.8588 Mbytes
+Step Temp E_pair E_mol TotEng Press
+ 0 190.0857 -6785.6785 70.391457 -5580.3684 19434.821
+ 50 239.46028 -7546.5668 1092.8874 -5023.9668 -24643.891
+ 100 242.8184 -7125.5635 416.08033 -5259.7208 15525.272
+ 150 235.96512 -7531.8759 932.41522 -5190.6162 -14839.782
+ 200 257.35102 -7247.5781 567.90676 -5143.141 8513.9733
+ 250 247.35399 -7601.041 853.30194 -5270.8966 -8894.9042
+ 300 238.39155 -7288.613 630.94229 -5234.3391 5570.9342
+ 350 257.06739 -7568.1232 879.98206 -5153.3042 -7285.87
+ 400 247.83949 -7471.1145 708.16434 -5283.209 3868.2834
+ 450 252.55473 -7611.3166 851.78998 -5251.6328 -5460.3887
+ 500 250.22449 -7513.0592 781.53558 -5237.5427 2201.7135
+ 550 247.41884 -7677.3706 837.98176 -5362.1592 -4052.9427
+ 600 250.37286 -7549.0586 757.06856 -5297.1232 559.74437
+ 650 247.46682 -7653.5193 821.44119 -5354.562 -1717.7384
+ 700 256.63169 -7672.6713 840.65 -5299.7857 -2922.6855
+ 750 250.74235 -7638.8231 805.19765 -5336.5526 -1391.7887
+ 800 249.192 -7638.156 802.5243 -5347.8152 -1882.0832
+ 850 250.46499 -7607.8867 848.33053 -5264.1393 -1223.6763
+ 900 241.12036 -7659.1054 848.18521 -5371.296 -2484.5958
+ 950 248.08095 -7649.5224 853.94078 -5314.3988 -702.75135
+ 1000 250.91296 -7658.3307 844.91335 -5315.3259 -1692.5939
+ 1050 246.73851 -7713.0602 872.22591 -5367.6665 -1480.8398
+ 1100 252.23301 -7742.3279 900.71873 -5335.6362 -1867.4031
+ 1150 247.26614 -7672.9686 855.72245 -5340.9282 -1393.7358
+ 1200 239.19944 -7733.9801 867.1273 -5438.6975 -2648.0668
+ 1250 251.45165 -7752.8724 879.96452 -5371.6001 -1986.4684
+ 1300 250.38401 -7751.9707 862.79267 -5394.2447 -1845.5444
+ 1350 253.93283 -7801.2241 851.58306 -5433.5192 -2584.0105
+ 1400 245.32436 -7720.3887 860.22548 -5395.4388 -2070.4882
+ 1450 241.28817 -7701.2839 882.28435 -5378.3735 -850.62889
+ 1500 250.37265 -7730.7213 903.63057 -5332.2251 -1356.525
+ 1550 251.89349 -7763.3915 862.06926 -5397.3764 -134.50239
+ 1600 251.13013 -7748.6889 907.21595 -5342.0848 -966.47349
+ 1650 242.6259 -7810.6283 919.82972 -5442.1855 -1748.0311
+ 1700 253.825 -7755.9582 883.21577 -5357.2644 -2116.3693
+ 1750 255.50339 -7795.9448 910.24763 -5360.1982 -1959.9545
+ 1800 246.79851 -7797.6035 878.7576 -5445.3199 -1665.5912
+ 1850 249.49648 -7768.6601 932.69007 -5346.3356 -3294.8304
+ 1900 247.68068 -7715.6737 910.66693 -5326.2138 504.55752
+ 1950 249.31864 -7801.0719 930.9931 -5381.5063 -2806.6965
+ 2000 252.99295 -7748.0016 895.00182 -5342.4896 -289.4189
+ 2050 249.41601 -7815.8807 872.03861 -5454.6882 -1468.7262
+ 2100 258.65142 -7808.6779 907.04932 -5357.3341 65.360616
+ 2150 245.76718 -7810.1657 951.69975 -5391.0976 -3632.8405
+ 2200 247.53005 -7779.7673 887.2345 -5414.6392 -1490.7467
+ 2250 248.00828 -7788.7784 873.20488 -5434.8246 -1956.1633
+ 2300 244.25241 -7798.9373 920.21778 -5420.3952 -1605.2485
+ 2350 241.95391 -7773.5907 943.11124 -5385.8785 -1070.6519
+ 2400 245.38073 -7815.2976 920.48267 -5429.7539 -1819.1152
+ 2450 262.54741 -7927.234 907.81937 -5451.8589 -2727.1674
+ 2500 249.5176 -7863.2466 904.52129 -5468.965 -1285.4951
+Loop time of 76.5028 on 4 procs for 2500 steps with 2004 atoms
+
+Performance: 22.587 ns/day, 1.063 hours/ns, 32.679 timesteps/s
+99.6% CPU use with 4 MPI tasks x no OpenMP threads
+
+MPI task timing breakdown:
+Section | min time | avg time | max time |%varavg| %total
+---------------------------------------------------------------
+Pair | 62.256 | 63.223 | 64.078 | 9.6 | 82.64
+Bond | 0.85178 | 1.0305 | 1.2337 | 17.4 | 1.35
+Kspace | 1.1172 | 1.126 | 1.1346 | 0.6 | 1.47
+Neigh | 2.4852 | 2.4867 | 2.4876 | 0.1 | 3.25
+Comm | 5.6095 | 6.6778 | 7.5121 | 30.5 | 8.73
+Output | 0.011705 | 0.013602 | 0.019284 | 2.8 | 0.02
+Modify | 1.3646 | 1.3807 | 1.3911 | 0.9 | 1.80
+Other | | 0.5647 | | | 0.74
+
+Nlocal: 501 ave 529 max 488 min
+Histogram: 2 1 0 0 0 0 0 0 0 1
+Nghost: 6628.25 ave 6688 max 6557 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+Neighs: 177188 ave 191445 max 170612 min
+Histogram: 2 0 1 0 0 0 0 0 0 1
+
+Total # of neighbors = 708754
+Ave neighs/atom = 353.67
+Ave special neighs/atom = 2.34032
+Neighbor list builds = 500
+Dangerous builds = 500
+unfix cor
+unfix 1
+
+
+
+
+Please see the log.cite file for references relevant to this simulation
+
+Total wall time: 0:01:16
diff --git a/src/USER-MISC/README b/src/USER-MISC/README
index 52ee6cad9..72d93aee2 100644
--- a/src/USER-MISC/README
+++ b/src/USER-MISC/README
@@ -1,72 +1,73 @@
The files in this package are a potpourri of (mostly) unrelated
features contributed to LAMMPS by users. Each feature is a single
pair of files (*.cpp and *.h).
More information about each feature can be found by reading its doc
page in the LAMMPS doc directory. The doc page which lists all LAMMPS
input script commands is as follows:
doc/Section_commands.html, subsection 3.5
User-contributed features are listed at the bottom of the fix,
compute, pair, etc sections.
The list of features and author of each is given below.
You should contact the author directly if you have specific questions
about the feature or its coding.
------------------------------------------------------------
angle_style cosine/shift, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
angle_style cosine/shift/exp, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
angle_style fourier, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
angle_style fourier/simple, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
angle_style dipole, Mario Orsi, orsimario at gmail.com, 10 Jan 12
angle_style quartic, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
bond_style harmonic/shift, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
bond_style harmonic/shift/cut, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
compute ackland/atom, Gerolf Ziegenhain, gerolf at ziegenhain.com, 4 Oct 2007
compute basal/atom, Christopher Barrett, cdb333 at cavs.msstate.edu, 3 Mar 2013
compute temp/rotate, Laurent Joly (U Lyon), ljoly.ulyon at gmail.com, 8 Aug 11
compute PRESSURE/GREM, David Stelter, dstelter@bu.edu, 22 Nov 16
dihedral_style cosine/shift/exp, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
dihedral_style fourier, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
dihedral_style nharmonic, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
dihedral_style quadratic, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
dihedral_style spherical, Andrew Jewett, jewett.aij@gmail.com, 15 Jul 16
dihedral_style table, Andrew Jewett, jewett.aij@gmail.com, 10 Jan 12
fix addtorque, Laurent Joly (U Lyon), ljoly.ulyon at gmail.com, 8 Aug 11
fix ave/correlate/long, Jorge Ramirez (UPM Madrid), jorge.ramirez at upm.es, 21 Oct 2015
+fix filter/corotate, Lukas Fath (KIT), lukas.fath at kit.edu, 15 Mar 2017
fix flow/gauss, Joel Eaves (CU Boulder), Joel.Eaves@Colorado.edu, 23 Aug 2016
fix gle, Michele Ceriotti (EPFL Lausanne), michele.ceriotti at gmail.com, 24 Nov 2014
fix grem, David Stelter, dstelter@bu.edu, 22 Nov 16
fix imd, Axel Kohlmeyer, akohlmey at gmail.com, 9 Nov 2009
fix ipi, Michele Ceriotti (EPFL Lausanne), michele.ceriotti at gmail.com, 24 Nov 2014
fix nvk, Efrem Braun (UC Berkeley), efrem.braun at gmail.com, https://github.com/lammps/lammps/pull/310
fix pimd, Yuxing Peng (U Chicago), yuxing at uchicago.edu, 24 Nov 2014
fix smd, Axel Kohlmeyer, akohlmey at gmail.com, 19 May 2008
fix ti/spring, Rodrigo Freitas (Unicamp/Brazil), rodrigohb at gmail.com, 7 Nov 2013
fix ttm/mod, Sergey Starikov and Vasily Pisarev (JIHT), pisarevvv at gmail.com, 2 Feb 2015
improper_style cossq, Georgios Vogiatzis, gvog at chemeng.ntua.gr, 25 May 12
improper_style fourier, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
improper_style ring, Georgios Vogiatzis, gvog at chemeng.ntua.gr, 25 May 12
improper_style distance, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
pair_style agni, Axel Kohlmeyer, akohlmey at gmail.com, 9 Nov 16
pair_style buck/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
pair_style coul/diel, Axel Kohlmeyer, akohlmey at gmail.com, 1 Dec 11
pair_style dipole/sf, Mario Orsi, orsimario at gmail.com, 8 Aug 11
pair_style edip, Luca Ferraro, luca.ferraro at caspur.it, 15 Sep 11
pair_style eam/cd, Alexander Stukowski, stukowski at mm.tu-darmstadt.de, 7 Nov 09
pair_style gauss/cut, Axel Kohlmeyer, akohlmey at gmail.com, 1 Dec 11
pair_style lennard/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
pair_style list, Axel Kohlmeyer (Temple U), akohlmey at gmail.com, 1 Jun 13
pair_style lj/mdf, Paolo Raiteri, p.raiteri at curtin.edu.au, 2 Dec 15
pair_style lj/sf, Laurent Joly (U Lyon), ljoly.ulyon at gmail.com, 8 Aug 11
pair_style kolmogorov/crespi/z, Jaap Kroes (Radboud U), jaapkroes at gmail dot com, 28 Feb 17
pair_style meam/spline, Alexander Stukowski (LLNL), alex at stukowski.com, 1 Feb 12
pair_style meam/sw/spline, Robert Rudd (LLNL), robert.rudd at llnl.gov, 1 Oct 12
pair_style morse/smooth/linear, Stefan Paquay (TU Eindhoven), stefanpaquay at gmail.com, 29 Feb 16
pair_style srp, Tim Sirk, tim.sirk at us.army.mil, 21 Nov 14
pair_style tersoff/table, Luca Ferraro, luca.ferraro@caspur.it, 1 Dec 11
temper/grem, David Stelter, dstelter@bu.edu, 22 Nov 16
diff --git a/src/USER-MISC/fix_filter_corotate.cpp b/src/USER-MISC/fix_filter_corotate.cpp
new file mode 100644
index 000000000..3e427f1f9
--- /dev/null
+++ b/src/USER-MISC/fix_filter_corotate.cpp
@@ -0,0 +1,2065 @@
+/* ----------------------------------------------------------------------
+ LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+ http://lammps.sandia.gov, Sandia National Laboratories
+ Steve Plimpton, sjplimp@sandia.gov
+
+ Copyright (2003) Sandia Corporation. Under the terms of Contract
+ DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+ certain rights in this software. This software is distributed under
+ the GNU General Public License.
+
+ See the README file in the top-level LAMMPS directory.
+ ------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+ Contributing author: Lukas Fath (KIT)
+ some subroutines are from fix_shake.cpp
+ ------------------------------------------------------------------------- */
+
+#include <mpi.h>
+#include "string.h"
+#include "stdlib.h"
+#include "fix_filter_corotate.h"
+#include "atom.h"
+#include "atom_vec.h"
+#include "molecule.h"
+#include "bond.h"
+#include "angle.h"
+#include "math_const.h"
+#include "update.h"
+#include "modify.h"
+#include "domain.h"
+#include "region.h"
+#include "memory.h"
+#include "error.h"
+#include "force.h"
+#include "comm.h"
+#include "error.h"
+#include "memory.h"
+#include "domain.h"
+#include "integrate.h"
+#include "respa.h"
+#include "timer.h"
+#include "neighbor.h"
+#include "citeme.h"
+
+using namespace LAMMPS_NS;
+using namespace MathConst;
+using namespace FixConst;
+
+// allocate space for static class variable
+
+FixFilterCorotate *FixFilterCorotate::fsptr;
+
+#define BIG 1.0e20
+#define MASSDELTA 0.1
+
+static const char cite_filter_corotate[] =
+ "Mollified Impulse Method with Corotational Filter:\n\n"
+ "@Article{Fath2017,\n"
+ " Title = {A fast mollified impulse method for biomolecular atomistic simulations},\n"
+ " Author = {L. Fath and M. Hochbruck and C.V. Singh},\n"
+ " Journal = {Journal of Computational Physics},\n"
+ " Year = {2017},\n"
+ " Pages = {180 - 198},\n"
+ " Volume = {333},\n\n"
+ " Doi = {http://dx.doi.org/10.1016/j.jcp.2016.12.024},\n"
+ " ISSN = {0021-9991},\n"
+ " Keywords = {Mollified impulse method},\n"
+ " Url = {http://www.sciencedirect.com/science/article/pii/S0021999116306787}\n"
+ "}\n\n";
+
+/* ---------------------------------------------------------------------- */
+
+FixFilterCorotate::FixFilterCorotate(LAMMPS *lmp, int narg, char **arg):Fix(lmp,narg,arg)
+{
+ if (lmp->citeme) lmp->citeme->add(cite_filter_corotate);
+
+ MPI_Comm_rank(world,&me);
+ MPI_Comm_size(world,&nprocs);
+
+ molecular = atom->molecular;
+ if (molecular == 0)
+ error->all(FLERR,"Cannot use fix filter/corotate with non-molecular system");
+ if (molecular == 2)
+ error->all(FLERR,"Cannot use fix filter/corotate with molecule template system");
+
+ // parse args for bond and angle types
+ // will be used by find_clusters
+ // store args for "b" "a" "t" as flags in (1:n) list for fast access
+ // store args for "m" in list of length nmass for looping over
+ // for "m" verify that atom masses have been set
+
+ bond_flag = new int[atom->nbondtypes+1];
+ for (int i = 1; i <= atom->nbondtypes; i++) bond_flag[i] = 0;
+ angle_flag = new int[atom->nangletypes+1];
+ for (int i = 1; i <= atom->nangletypes; i++) angle_flag[i] = 0;
+ type_flag = new int[atom->ntypes+1];
+ for (int i = 1; i <= atom->ntypes; i++) type_flag[i] = 0;
+ mass_list = new double[atom->ntypes];
+ nmass = 0;
+
+ char mode = '\0';
+ int next = 3;
+ while (next < narg) {
+ if (strcmp(arg[next],"b") == 0) mode = 'b';
+ else if (strcmp(arg[next],"a") == 0) mode = 'a';
+ else if (strcmp(arg[next],"t") == 0) mode = 't';
+ else if (strcmp(arg[next],"m") == 0) {
+ mode = 'm';
+ atom->check_mass(FLERR);
+
+ // break if keyword that is not b,a,t,m
+
+ } else if (isalpha(arg[next][0])) break;
+
+ // read numeric args of b,a,t,m
+
+ else if (mode == 'b') {
+ int i = force->inumeric(FLERR,arg[next]);
+ if (i < 1 || i > atom->nbondtypes)
+ error->all(FLERR,"Invalid bond type index for fix filter/corotate");
+ bond_flag[i] = 1;
+
+ } else if (mode == 'a') {
+ int i = force->inumeric(FLERR,arg[next]);
+ if (i < 1 || i > atom->nangletypes)
+ error->all(FLERR,"Invalid angle type index for fix filter/corotate");
+ angle_flag[i] = 1;
+
+ } else if (mode == 't') {
+ int i = force->inumeric(FLERR,arg[next]);
+ if (i < 1 || i > atom->ntypes)
+ error->all(FLERR,"Invalid atom type index for fix filter/corotate");
+ type_flag[i] = 1;
+
+ } else if (mode == 'm') {
+ double massone = force->numeric(FLERR,arg[next]);
+ if (massone == 0.0) error->all(FLERR,"Invalid atom mass for fix filter/corotate");
+ if (nmass == atom->ntypes)
+ error->all(FLERR,"Too many masses for fix filter/corotate");
+ mass_list[nmass++] = massone;
+
+ } else error->all(FLERR,"Illegal fix filter/corotate command");
+ next++;
+ }
+
+
+ // parse optional args
+ nlevels_respa = 1; //initialize
+
+ // allocate bond and angle distance arrays, indexed from 1 to n
+
+ bond_distance = new double[atom->nbondtypes+1];
+ angle_distance = new double[atom->nangletypes+1];
+
+ //grow_arrays
+ array_atom = NULL;
+ shake_flag = NULL;
+ shake_atom = NULL;
+ shake_type = NULL;
+
+ grow_arrays(atom->nmax);
+ atom->add_callback(0); //calls grow_arrays
+
+ x_store = NULL;
+
+
+ //STUFF
+ g = NULL;
+ help2 = NULL;
+
+ dn1dx = dn2dx = dn3dx = NULL;
+ n1 = n2 = n3 = del1 = del2 = del3 = NULL;
+
+ memory->grow(help2,15,15,"FilterCorotate:help2");
+ memory->grow(n1,3,"FilterCorotate:n1");
+ memory->grow(n2,3,"FilterCorotate:n2");
+ memory->grow(n3,3,"FilterCorotate:n3");
+ memory->grow(del1,3,"FilterCorotate:del1");
+ memory->grow(del2,3,"FilterCorotate:del2");
+ memory->grow(del3,3,"FilterCorotate:del3");
+ memory->grow(dn1dx,3,15,"FilterCorotate:dn1dx");
+ memory->grow(dn2dx,3,15,"FilterCorotate:dn2dx");
+ memory->grow(dn3dx,3,15,"FilterCorotate:dn3dx");
+
+ memory->grow(g,15,"FilterCorotate:g");
+
+ comm_forward = 3;
+
+ // identify all clusters
+
+ find_clusters();
+
+ // initialize list of clusters to constrain
+
+ maxlist = 0;
+ list = NULL;
+ clist_derv = NULL;
+ clist_q0 = NULL; //list for derivative and ref. config
+ clist_nselect1 = clist_nselect2 = NULL;
+ clist_select1 = clist_select2 = NULL;
+
+}
+
+/* ---------------------------------------------------------------------- */
+
+FixFilterCorotate::~FixFilterCorotate()
+{
+ memory->destroy(g);
+ memory->destroy(help2);
+ memory->destroy(n1);
+ memory->destroy(n2);
+ memory->destroy(n3);
+ memory->destroy(del1);
+ memory->destroy(del2);
+ memory->destroy(del3);
+ memory->destroy(dn1dx);
+ memory->destroy(dn2dx);
+ memory->destroy(dn3dx);
+
+ atom->delete_callback(id,2);
+ atom->delete_callback(id,0);
+
+ // delete locally stored arrays
+
+ memory->destroy(shake_flag);
+ memory->destroy(shake_atom);
+ memory->destroy(shake_type);
+ memory->destroy(array_atom);
+
+ delete [] bond_flag;
+ delete [] angle_flag;
+ delete [] type_flag;
+ delete [] mass_list;
+
+ delete [] bond_distance;
+ delete [] angle_distance;
+
+ memory->destroy(list);
+ memory->destroy(clist_derv);
+ memory->destroy(clist_q0);
+ memory->destroy(clist_nselect1);
+ memory->destroy(clist_nselect2);
+ memory->destroy(clist_select1);
+ memory->destroy(clist_select2);
+}
+
+
+/* ---------------------------------------------------------------------- */
+
+int FixFilterCorotate::setmask()
+{
+ int mask = 0;
+
+ mask |= PRE_NEIGHBOR;
+ mask |= PRE_FORCE_RESPA;
+ mask |= POST_FORCE_RESPA;
+
+ return mask;
+}
+
+
+/* ---------------------------------------------------------------------- */
+
+void FixFilterCorotate::init()
+{
+ int i;
+ // error if more than one filter
+ int count = 0;
+ for (i = 0; i < modify->nfix; i++)
+ if (strcmp(modify->fix[i]->style,"filter/corotate") == 0) count++;
+ if (count > 1) error->all(FLERR,"More than one fix filter/corotate");
+
+ // check for fix shake:
+ count = 0;
+ for (i = 0; i < modify->nfix; i++)
+ if (strcmp(modify->fix[i]->style,"shake") == 0) count++;
+ if (count > 1) error->one(FLERR,"Fix shake and fix filter/corotate detected, are you sure?");
+
+ // if rRESPA, find associated fix that must exist
+ // could have changed locations in fix list since created
+ // set ptrs to rRESPA variables
+
+ if (strstr(update->integrate_style,"respa")) {
+ nlevels_respa = ((Respa *) update->integrate)->nlevels;
+ }
+ else error->all(FLERR,"Fix filter/corotate requires rRESPA!");
+
+ // set equilibrium bond distances
+
+ if (force->bond == NULL)
+ error->all(FLERR,"Bond potential must be defined for fix filter/corotate");
+ for (i = 1; i <= atom->nbondtypes; i++)
+ bond_distance[i] = force->bond->equilibrium_distance(i);
+
+ // set equilibrium angle value
+
+ for (i = 1; i <= atom->nangletypes; i++) {
+ angle_distance[i] = force->angle->equilibrium_angle(i);
+ }
+}
+
+/* ----------------------------------------------------------------------
+ * pre-integrator setup
+ * ------------------------------------------------------------------------- */
+
+void FixFilterCorotate::setup_pre_neighbor()
+{
+ pre_neighbor();
+}
+
+
+/* ----------------------------------------------------------------------
+ * build list of clusters to constrain
+ * if one or more atoms in cluster are on this proc,
+ * this proc lists the cluster exactly once
+ * ------------------------------------------------------------------------- */
+
+void FixFilterCorotate::pre_neighbor()
+{
+ int atom1,atom2,atom3,atom4,atom5;
+
+ // local copies of atom quantities
+ // used until next re-neighboring
+
+ x = atom->x;
+ v = atom->v;
+ f = atom->f;
+ mass = atom->mass;
+ rmass = atom->rmass;
+ type = atom->type;
+ nlocal = atom->nlocal;
+
+ // extend size of list if necessary
+
+ if (nlocal > maxlist) {
+ maxlist = nlocal;
+
+ memory->destroy(list);
+ memory->destroy(clist_derv);
+ memory->destroy(clist_q0);
+ memory->destroy(clist_nselect1);
+ memory->destroy(clist_nselect2);
+ memory->destroy(clist_select1);
+ memory->destroy(clist_select2);
+
+ memory->create(list,maxlist,"FilterCorotate:list");
+ memory->create(clist_derv,maxlist,15,15,"FilterCorotate:derivative");
+ memory->create(clist_q0,maxlist,15,"FilterCorotate:q0");
+ memory->create(clist_nselect1,maxlist,"FilterCorotate:nselect1");
+ memory->create(clist_nselect2,maxlist,"FilterCorotate:nselect2");
+ memory->create(clist_select1,maxlist,5,"FilterCorotate:select1");
+ memory->create(clist_select2,maxlist,5,"FilterCorotate:select2");
+ }
+
+ // build list of clusters I compute
+
+ nlist = 0;
+
+ for (int i = 0; i < nlocal; i++)
+ if (shake_flag[i]) {
+ if (shake_flag[i] == 2) {
+ atom1 = atom->map(shake_atom[i][0]);
+ atom2 = atom->map(shake_atom[i][1]);
+ if (atom1 == -1 || atom2 == -1) {
+ char str[128];
+ sprintf(str,"Cluster atoms " TAGINT_FORMAT " " TAGINT_FORMAT
+ " missing on proc %d at step " BIGINT_FORMAT,
+ shake_atom[i][0],shake_atom[i][1],me,update->ntimestep);
+ error->one(FLERR,str);
+ }
+ if (i <= atom1 && i <= atom2) list[nlist++] = i;
+ } else if (shake_flag[i] == 1 || shake_flag[i] == 3) {
+ atom1 = atom->map(shake_atom[i][0]);
+ atom2 = atom->map(shake_atom[i][1]);
+ atom3 = atom->map(shake_atom[i][2]);
+ if (atom1 == -1 || atom2 == -1 || atom3 == -1) {
+ char str[128];
+ sprintf(str,"Cluster atoms "
+ TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT
+ " missing on proc %d at step " BIGINT_FORMAT,
+ shake_atom[i][0],shake_atom[i][1],shake_atom[i][2],
+ me,update->ntimestep);
+ error->one(FLERR,str);
+ }
+ if (i <= atom1 && i <= atom2 && i <= atom3) list[nlist++] = i;
+ } else if (shake_flag[i] == 4) {
+ atom1 = atom->map(shake_atom[i][0]);
+ atom2 = atom->map(shake_atom[i][1]);
+ atom3 = atom->map(shake_atom[i][2]);
+ atom4 = atom->map(shake_atom[i][3]);
+ if (atom1 == -1 || atom2 == -1 || atom3 == -1 || atom4 == -1) {
+ char str[128];
+ sprintf(str,"Cluster atoms "
+ TAGINT_FORMAT " " TAGINT_FORMAT " "
+ TAGINT_FORMAT " " TAGINT_FORMAT
+ " missing on proc %d at step " BIGINT_FORMAT,
+ shake_atom[i][0],shake_atom[i][1],
+ shake_atom[i][2],shake_atom[i][3],
+ me,update->ntimestep);
+ error->one(FLERR,str);
+ }
+ if (i <= atom1 && i <= atom2 && i <= atom3 && i <= atom4)
+ list[nlist++] = i;
+ } else if (shake_flag[i] == 5) {
+ atom1 = atom->map(shake_atom[i][0]);
+ atom2 = atom->map(shake_atom[i][1]);
+ atom3 = atom->map(shake_atom[i][2]);
+ atom4 = atom->map(shake_atom[i][3]);
+ atom5 = atom->map(shake_atom[i][4]);
+ if (atom1 == -1 || atom2 == -1 || atom3 == -1 || atom4 == -1 || atom5 == -1) {
+ char str[128];
+ sprintf(str,"Cluster atoms "
+ TAGINT_FORMAT " " TAGINT_FORMAT " "
+ TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT
+ " missing on proc %d at step " BIGINT_FORMAT,
+ shake_atom[i][0],shake_atom[i][1],
+ shake_atom[i][2],shake_atom[i][3],shake_atom[i][4],
+ me,update->ntimestep);
+ error->one(FLERR,str);
+ }
+ if (i <= atom1 && i <= atom2 && i <= atom3 && i <= atom4 && i <= atom5)
+ list[nlist++] = i;
+ }
+ }
+
+ //also build reference config lists
+ int m,N,oxy;
+ double r0,r1,r2,r3,theta0;
+ double m1,m2,m3,m4,m5,m_all;
+
+ double *mass = atom->mass;
+ int *type = atom->type;
+
+ for (int i=0; i<nlist; i++)
+ {
+ m = list[i];
+ N = shake_flag[m];
+
+ //switch cluster type 3 to angle cluster:
+ if (N == 3)
+ {
+ //make it an angle cluster:
+ if (shake_type[m][2] == 0)
+ shake_type[m][2] = angletype_findset(atom->map(shake_atom[m][0]),shake_atom[m][1],shake_atom[m][2],0);
+ }
+
+ if (N == 1) N = 3; //angle cluster
+
+ if (N == 2) //cluster of size 2:
+ {
+ atom1 = atom->map(shake_atom[m][0]);
+ atom2 = atom->map(shake_atom[m][1]);
+
+ r0 = bond_distance[shake_type[m][0]];
+
+ m1 = mass[type[atom1]];
+ m2 = mass[type[atom2]];
+ m_all = m1 + m2;
+
+ double a1 = -m2/(m1+m2)*r0;
+ double a2 = m1/(m1+m2)*r0;
+
+ clist_q0[i][0] = a1;
+ clist_q0[i][1] = 0;
+ clist_q0[i][2] = 0;
+
+ clist_q0[i][3] = a2;
+ clist_q0[i][4] = 0;
+ clist_q0[i][5] = 0;
+
+ clist_nselect1[i] = 1;
+ clist_select1[i][0] = 1;
+
+ clist_nselect2[i] = 0;
+ clist_select2[i][0] = 0;
+ } else if (N == 3) //angle cluster
+ {
+ oxy = atom->map(shake_atom[m][0]);
+ atom1 = atom->map(shake_atom[m][1]);
+ atom2 = atom->map(shake_atom[m][2]);
+
+ r0 = bond_distance[shake_type[m][0]];
+ r1 = bond_distance[shake_type[m][1]];
+
+
+ theta0 = angle_distance[shake_type[m][2]];
+
+ m1 = mass[type[oxy]];
+ m2 = mass[type[atom1]];
+ m3 = mass[type[atom2]];
+ m_all = m1 + m2 + m3;
+
+ double alpha1 = 0.5*(MY_PI - theta0);
+
+ double xcenter = m2/m_all*r0*sin(alpha1) + m3/m_all*r1*sin(alpha1);
+ double ycenter = -m2/m_all*r0*cos(alpha1)+ m3/m_all*r1*cos(alpha1);
+
+ double q1 = -xcenter;
+ double q2 = -ycenter;
+
+ double q4 = r0*sin(alpha1)-xcenter;
+ double q5 = r0*cos(alpha1)-ycenter;
+
+ double q7 = r1*sin(alpha1)-xcenter;
+ double q8 = -r1*cos(alpha1)-ycenter;
+
+ clist_q0[i][0] = q1;
+ clist_q0[i][1] = q2;
+ clist_q0[i][2] = 0;
+
+ clist_q0[i][3] = q4;
+ clist_q0[i][4] = q5;
+ clist_q0[i][5] = 0;
+
+ clist_q0[i][6] = q7;
+ clist_q0[i][7] = q8;
+ clist_q0[i][8] = 0;
+
+ clist_nselect1[i] = 2;
+ clist_select1[i][0] = 1; clist_select1[i][1] = 2;
+ clist_nselect2[i] = 1;
+ clist_select2[i][0] = 1;
+ } else if (N == 4)
+ {
+ oxy = atom->map(shake_atom[m][0]);
+ atom1 = atom->map(shake_atom[m][1]);
+ atom2 = atom->map(shake_atom[m][2]);
+ atom3 = atom->map(shake_atom[m][3]);
+
+ r0 = bond_distance[shake_type[m][0]];
+ r1 = bond_distance[shake_type[m][1]];
+ r2 = bond_distance[shake_type[m][2]];
+
+ m1 = atom->mass[atom->type[oxy]];
+ m2 = atom->mass[atom->type[atom1]];
+ m3 = atom->mass[atom->type[atom2]];
+ m4 = atom->mass[atom->type[atom3]];
+ m_all = m1 + m2 + m3 + m4;
+
+ //how to get these angles?
+ double alpha1 = MY_PI/2.57; //roughly 70 degrees
+ double alpha2 = MY_PI/3;
+ //ENSURE ycenter,zcenter = 0!
+ //approximate xcenter, if r0 !=r1 != r2, exact if r0 = r1 = r2
+ double xcenter = (m2*r0+m3*r1+m4*r2)/m_all*cos(alpha1);
+
+ clist_q0[i][0] = -xcenter;
+ clist_q0[i][1] = 0.0;
+ clist_q0[i][2] = 0.0;
+ clist_q0[i][3] = r0*cos(alpha1)-xcenter;
+ clist_q0[i][4] = -r0*sin(alpha1);
+ clist_q0[i][5] = 0.0;
+ clist_q0[i][6] = r1*cos(alpha1)-xcenter;
+ clist_q0[i][7] = r1*sin(alpha1)*cos(alpha2);
+ clist_q0[i][8] = -r1*sin(alpha1)*sin(alpha2);
+ clist_q0[i][9] = r2*cos(alpha1)-xcenter;
+ clist_q0[i][10] = r2*sin(alpha1)*cos(alpha2);
+ clist_q0[i][11] = r2*sin(alpha1)*sin(alpha2);
+
+ clist_nselect1[i] = 3;
+ clist_nselect2[i] = 2;
+
+ clist_select1[i][0] = 1;clist_select1[i][1] = 2;clist_select1[i][2] = 3;
+ clist_select2[i][0] = 2;clist_select2[i][1] = 3;
+
+ //signum ensures correct ordering of three satellites
+ //signum = sign(cross(x2-x1,x3-x1))T*(x1-x0))
+ double del1[3], del2[3], del3[3];
+ del1[0] = x[atom1][0]-x[oxy][0];
+ del1[1] = x[atom1][1]-x[oxy][1];
+ del1[2] = x[atom1][2]-x[oxy][2];
+ domain->minimum_image(del1);
+
+ del2[0] = x[atom2][0]-x[atom1][0];
+ del2[1] = x[atom2][1]-x[atom1][1];
+ del2[2] = x[atom2][2]-x[atom1][2];
+ domain->minimum_image(del2);
+
+ del3[0] = x[atom3][0]-x[atom1][0];
+ del3[1] = x[atom3][1]-x[atom1][1];
+ del3[2] = x[atom3][2]-x[atom1][2];
+ domain->minimum_image(del3);
+
+ double a = (del2[1])*(del3[2]) - (del2[2])*(del3[1]);
+ double b = (del2[2])*(del3[0]) - (del2[0])*(del3[2]);
+ double c = (del2[0])*(del3[1]) - (del2[1])*(del3[0]);
+ int signum = sgn(a*(del1[0]) + b*(del1[1]) + c*(del1[2]));
+
+ if (fabs(signum)!= 1) error->all(FLERR,"Wrong orientation in cluster of size 4 in fix filter/corotate!");
+ clist_q0[i][8] *= signum;
+ clist_q0[i][11] *= signum;
+
+ } else if (N == 5)
+ {
+ oxy = atom->map(shake_atom[m][0]);
+ atom1 = atom->map(shake_atom[m][1]);
+ atom2 = atom->map(shake_atom[m][2]);
+ atom3 = atom->map(shake_atom[m][3]);
+ int c1 = atom->map(shake_atom[m][4]);
+
+ r1 = bond_distance[shake_type[m][3]];
+ r0 = bond_distance[shake_type[m][0]];
+ theta0 = angle_distance[shake_type[m][2]];
+
+ m1 = atom->mass[atom->type[oxy]];
+ m2 = atom->mass[atom->type[atom1]];
+ m3 = atom->mass[atom->type[atom2]];
+ m4 = atom->mass[atom->type[atom3]];
+ m5 = atom->mass[atom->type[c1]];
+ m_all = m1 + m2 + m3 + m4 + m5;
+
+ double alpha1 = MY_PI/2.57; //roughly 70 degrees
+ double alpha2 = MY_PI/3;
+ //ENSURE ycenter,zcenter = 0!
+ double xcenter = -(m2+m3+m4)/m_all*r0*cos(alpha1) +r1*m5/m_all;
+
+ clist_q0[i][0] = -xcenter;
+ clist_q0[i][1] = 0.0;
+ clist_q0[i][2] = 0.0;
+ clist_q0[i][3] = -r0*cos(alpha1)-xcenter;
+ clist_q0[i][4] = -r0*sin(alpha1);
+ clist_q0[i][5] = 0.0;
+ clist_q0[i][6] = -r0*cos(alpha1)-xcenter;
+ clist_q0[i][7] = r0*sin(alpha1)*cos(alpha2);
+ clist_q0[i][8] = r0*sin(alpha1)*sin(alpha2);
+ clist_q0[i][9] = -r0*cos(alpha1)-xcenter;
+ clist_q0[i][10] = r0*sin(alpha1)*cos(alpha2);
+ clist_q0[i][11] = -r0*sin(alpha1)*sin(alpha2);
+ clist_q0[i][12] = r1-xcenter;
+ clist_q0[i][13] = 0.0;
+ clist_q0[i][14] = 0.0;
+ clist_nselect1[i] = 1;
+ clist_nselect2[i] = 2;
+
+ clist_select1[i][0] = 4;
+ clist_select2[i][0] = 2;clist_select2[i][1] = 3;
+
+ //signum ensures correct ordering of three satellites
+ //signum = sign(cross(x2-x1,x3-x1))T*(x1-x0))
+ double del1[3], del2[3], del3[3];
+ del1[0] = x[atom1][0]-x[oxy][0];
+ del1[1] = x[atom1][1]-x[oxy][1];
+ del1[2] = x[atom1][2]-x[oxy][2];
+ domain->minimum_image(del1);
+
+ del2[0] = x[atom2][0]-x[atom1][0];
+ del2[1] = x[atom2][1]-x[atom1][1];
+ del2[2] = x[atom2][2]-x[atom1][2];
+ domain->minimum_image(del2);
+
+ del3[0] = x[atom3][0]-x[atom1][0];
+ del3[1] = x[atom3][1]-x[atom1][1];
+ del3[2] = x[atom3][2]-x[atom1][2];
+ domain->minimum_image(del3);
+
+ double a = (del2[1])*(del3[2]) - (del2[2])*(del3[1]);
+ double b = (del2[2])*(del3[0]) - (del2[0])*(del3[2]);
+ double c = (del2[0])*(del3[1]) - (del2[1])*(del3[0]);
+ int signum = sgn(a*(del1[0]) + b*(del1[1]) + c*(del1[2]));
+
+ if (fabs(signum)!= 1) error->all(FLERR,"Wrong orientation in cluster of size 5 in fix filter/corotate!");
+ clist_q0[i][8] *= signum;
+ clist_q0[i][11] *= signum;
+ }
+ else
+ {
+ error->all(FLERR,"Fix filter/corotate cluster with size > 5 not yet configured...");
+ }
+
+ }
+}
+
+/* ----------------------------------------------------------------------
+ * setup, needs to patch missing setup_post_force_respa() in respa...
+ * ------------------------------------------------------------------------- */
+
+void FixFilterCorotate::setup(int vflag)
+{
+ ((Respa *) update->integrate)->copy_flevel_f(nlevels_respa-1);
+ post_force_respa(vflag,nlevels_respa-1,0);
+ ((Respa *) update->integrate)->copy_f_flevel(nlevels_respa-1);
+}
+
+
+void FixFilterCorotate::setup_pre_force_respa(int vflag,int ilevel){
+ pre_force_respa(vflag,ilevel,0);
+}
+
+//void FixFilterCorotate::setup_post_force_respa(int vflag,int ilevel){
+// post_force_respa(vflag,ilevel,0);
+//}
+
+
+double FixFilterCorotate::compute_array(int,int)
+{
+ filter_inner();
+ return 1;
+}
+
+void FixFilterCorotate::pre_force_respa(int vflag, int ilevel, int iloop)
+{
+ if (ilevel == nlevels_respa-1)
+ {
+ filter_inner();
+
+ //%Switch pointers x<-->x_filter
+ x_store = atom->x;
+ atom->x = array_atom;
+ }
+}
+
+
+void FixFilterCorotate::post_force_respa(int vflag, int ilevel, int iloop)
+{
+ if (ilevel == nlevels_respa-1)
+ {
+ atom->x = x_store;
+
+ comm->forward_comm_fix(this); //comm forward of forces for outer filter
+
+ filter_outer();
+ }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixFilterCorotate::filter_inner()
+{
+ //periodic boundaries, proc boundaries
+
+ int nall = atom->nlocal + atom->nghost;
+
+ double **x = atom->x;
+
+ int nlocal = atom->nlocal;
+ int* type = atom->type;
+
+ //set array_atom to atom->x, in case some atoms are not part of any cluster:
+ for (int i=0; i<nall; i++)
+ {
+ array_atom[i][0] = x[i][0];
+ array_atom[i][1] = x[i][1];
+ array_atom[i][2] = x[i][2];
+ }
+
+ int m;
+ //iterate through list:
+ for (int i=0; i<nlist; i++)
+ {
+ m = list[i];
+
+ //filter:
+ general_cluster(m,i);
+ }
+
+}
+
+
+/* ---------------------------------------------------------------------- */
+
+void FixFilterCorotate::filter_outer()
+{
+ double sum1,sum2,sum3;
+
+ double** f = atom->f;
+ int nlocal = atom->nlocal;
+
+ int m;
+
+ for (int i=0; i<nlist; i++)
+ {
+ m = list[i];
+ int dim = shake_flag[m];
+ if (dim == 1) //case: angle
+ dim = 3;
+
+ for (int j = 0; j < dim; j++)
+ {
+ sum1 = sum2 = sum3 = 0;
+ for (int k = 0; k < dim; k++)
+ {
+ //get local tag of k-th atom in cluster i:
+ int kk = atom->map(shake_atom[m][k]);
+ //apply derivative times force
+ sum1 += clist_derv[i][3*j][3*k]*f[kk][0]+clist_derv[i][3*j][3*k+1]*f[kk][1]+clist_derv[i][3*j][3*k+2]*f[kk][2];
+ sum2 += clist_derv[i][3*j+1][3*k]*f[kk][0]+clist_derv[i][3*j+1][3*k+1]*f[kk][1]+clist_derv[i][3*j+1][3*k+2]*f[kk][2];
+ sum3 += clist_derv[i][3*j+2][3*k]*f[kk][0]+clist_derv[i][3*j+2][3*k+1]*f[kk][1]+clist_derv[i][3*j+2][3*k+2]*f[kk][2];
+ }
+
+ g[3*j] = sum1;
+ g[3*j+1] = sum2;
+ g[3*j+2] = sum3;
+ }
+
+ //replace force f with filtered value:
+ for (int j = 0; j < dim; j++)
+ {
+ int kk = atom->map(shake_atom[m][j]);
+
+ f[kk][0] = g[3*j];
+ f[kk][1] = g[3*j+1];
+ f[kk][2] = g[3*j+2];
+ }
+
+ }
+
+}
+
+
+/* ----------------------------------------------------------------------
+ * identify whether each atom is in a SHAKE cluster
+ * only include atoms in fix group and those bonds/angles specified in input
+ * test whether all clusters are valid
+ * set shake_flag, shake_atom, shake_type values
+ * set bond,angle types negative so will be ignored in neighbor lists
+ * ------------------------------------------------------------------------- */
+
+void FixFilterCorotate::find_clusters()
+{
+ int i,j,m,n,iatom;
+ int flag,flag_all,nbuf,size;
+ tagint tagprev;
+ double massone;
+ tagint *buf;
+
+ if (me == 0 && screen)
+ fprintf(screen,"Finding filter clusters ...\n");
+
+
+
+ tagint *tag = atom->tag;
+ int *type = atom->type;
+ int *mask = atom->mask;
+ double *mass = atom->mass;
+ double *rmass = atom->rmass;
+ int **nspecial = atom->nspecial;
+ tagint **special = atom->special;
+
+
+ int nlocal = atom->nlocal;
+ int angles_allow = atom->avec->angles_allow;
+
+ // setup ring of procs
+
+ int next = me + 1;
+ int prev = me -1;
+ if (next == nprocs) next = 0;
+ if (prev < 0) prev = nprocs - 1;
+
+ // -----------------------------------------------------
+ // allocate arrays for self (1d) and bond partners (2d)
+ // max = max # of bond partners for owned atoms = 2nd dim of partner arrays
+ // npartner[i] = # of bonds attached to atom i
+ // nshake[i] = # of SHAKE bonds attached to atom i
+ // partner_tag[i][] = global IDs of each partner
+ // partner_mask[i][] = mask of each partner
+ // partner_type[i][] = type of each partner
+ // partner_massflag[i][] = 1 if partner meets mass criterion, 0 if not
+ // partner_bondtype[i][] = type of bond attached to each partner
+ // partner_shake[i][] = 1 if SHAKE bonded to partner, 0 if not
+ // partner_nshake[i][] = nshake value for each partner
+ // -----------------------------------------------------
+
+ int max = 0;
+
+ for (i = 0; i < nlocal; i++) max = MAX(max,nspecial[i][0]);
+
+ int *npartner;
+ memory->create(npartner,nlocal,"shake:npartner");
+ memory->create(nshake,nlocal,"shake:nshake");
+
+ tagint **partner_tag;
+ int **partner_mask,**partner_type,**partner_massflag;
+ int **partner_bondtype,**partner_shake,**partner_nshake;
+ memory->create(partner_tag,nlocal,max,"shake:partner_tag");
+ memory->create(partner_mask,nlocal,max,"shake:partner_mask");
+ memory->create(partner_type,nlocal,max,"shake:partner_type");
+ memory->create(partner_massflag,nlocal,max,"shake:partner_massflag");
+ memory->create(partner_bondtype,nlocal,max,"shake:partner_bondtype");
+ memory->create(partner_shake,nlocal,max,"shake:partner_shake");
+ memory->create(partner_nshake,nlocal,max,"shake:partner_nshake");
+
+ // -----------------------------------------------------
+ // set npartner and partner_tag from special arrays
+ // -----------------------------------------------------
+
+
+ for (i = 0; i < nlocal; i++) {
+ npartner[i] = nspecial[i][0];
+ for (j = 0; j < npartner[i]; j++)
+ partner_tag[i][j] = special[i][j];
+ }
+
+
+ // -----------------------------------------------------
+ // set partner_mask, partner_type, partner_massflag, partner_bondtype
+ // for bonded partners
+ // requires communication for off-proc partners
+ // -----------------------------------------------------
+
+ // fill in mask, type, massflag, bondtype if own bond partner
+ // info to store in buf for each off-proc bond = nper = 6
+ // 2 atoms IDs in bond, space for mask, type, massflag, bondtype
+ // nbufmax = largest buffer needed to hold info from any proc
+
+ int nper = 6;
+
+ nbuf = 0;
+ for (i = 0; i < nlocal; i++) {
+ for (j = 0; j < npartner[i]; j++) {
+ partner_mask[i][j] = 0;
+ partner_type[i][j] = 0;
+ partner_massflag[i][j] = 0;
+ partner_bondtype[i][j] = 0;
+
+ m = atom->map(partner_tag[i][j]);
+ if (m >= 0 && m < nlocal) {
+ partner_mask[i][j] = mask[m];
+ partner_type[i][j] = type[m];
+ if (nmass) {
+ if (rmass) massone = rmass[m];
+ else massone = mass[type[m]];
+ partner_massflag[i][j] = masscheck(massone);
+ }
+ n = bondtype_findset(i,tag[i],partner_tag[i][j],0);
+ if (n) partner_bondtype[i][j] = n;
+ else {
+ n = bondtype_findset(m,tag[i],partner_tag[i][j],0);
+ if (n) partner_bondtype[i][j] = n;
+ }
+ } else nbuf += nper;
+ }
+ }
+
+ memory->create(buf,nbuf,"filter/corotate:buf");
+
+ // fill buffer with info
+
+ size = 0;
+ for (i = 0; i < nlocal; i++) {
+ for (j = 0; j < npartner[i]; j++) {
+ m = atom->map(partner_tag[i][j]);
+ if (m < 0 || m >= nlocal) {
+ buf[size] = tag[i];
+ buf[size+1] = partner_tag[i][j];
+ buf[size+2] = 0;
+ buf[size+3] = 0;
+ buf[size+4] = 0;
+ n = bondtype_findset(i,tag[i],partner_tag[i][j],0);
+ if (n) buf[size+5] = n;
+ else buf[size+5] = 0;
+ size += nper;
+ }
+ }
+ }
+
+ // cycle buffer around ring of procs back to self
+
+ fsptr = this;
+ comm->ring(size,sizeof(tagint),buf,1,ring_bonds,buf);
+
+ // store partner info returned to me
+
+ m = 0;
+ while (m < size) {
+ i = atom->map(buf[m]);
+ for (j = 0; j < npartner[i]; j++)
+ if (buf[m+1] == partner_tag[i][j]) break;
+ partner_mask[i][j] = buf[m+2];
+ partner_type[i][j] = buf[m+3];
+ partner_massflag[i][j] = buf[m+4];
+ partner_bondtype[i][j] = buf[m+5];
+ m += nper;
+ }
+
+ memory->destroy(buf);
+
+ // error check for unfilled partner info
+ // if partner_type not set, is an error
+ // partner_bondtype may not be set if special list is not consistent
+ // with bondatom (e.g. due to delete_bonds command)
+ // this is OK if one or both atoms are not in fix group, since
+ // bond won't be SHAKEn anyway
+ // else it's an error
+
+ flag = 0;
+ for (i = 0; i < nlocal; i++)
+ for (j = 0; j < npartner[i]; j++) {
+ if (partner_type[i][j] == 0) flag = 1;
+ if (!(mask[i] & groupbit)) continue;
+ if (!(partner_mask[i][j] & groupbit)) continue;
+ if (partner_bondtype[i][j] == 0) flag = 1;
+ }
+
+ MPI_Allreduce(&flag,&flag_all,1,MPI_INT,MPI_SUM,world);
+ if (flag_all) error->all(FLERR,"Did not find fix filter/corotate partner info");
+
+ // -----------------------------------------------------
+ // identify SHAKEable bonds
+ // set nshake[i] = # of SHAKE bonds attached to atom i
+ // set partner_shake[i][] = 1 if SHAKE bonded to partner, 0 if not
+ // both atoms must be in group, bondtype must be > 0
+ // check if bondtype is in input bond_flag
+ // check if type of either atom is in input type_flag
+ // check if mass of either atom is in input mass_list
+ // -----------------------------------------------------
+
+ int np;
+
+ for (i = 0; i < nlocal; i++) {
+ nshake[i] = 0;
+ np = npartner[i];
+ for (j = 0; j < np; j++) {
+ partner_shake[i][j] = 0;
+
+ if (!(mask[i] & groupbit)) continue;
+ if (!(partner_mask[i][j] & groupbit)) continue;
+ if (partner_bondtype[i][j] <= 0) continue;
+
+ if (bond_flag[partner_bondtype[i][j]]) {
+ partner_shake[i][j] = 1;
+ nshake[i]++;
+ continue;
+ }
+ if (type_flag[type[i]] || type_flag[partner_type[i][j]]) {
+ partner_shake[i][j] = 1;
+ nshake[i]++;
+ continue;
+ }
+ if (nmass) {
+ if (partner_massflag[i][j]) {
+ partner_shake[i][j] = 1;
+ nshake[i]++;
+ continue;
+ } else {
+ if (rmass) massone = rmass[i];
+ else massone = mass[type[i]];
+ if (masscheck(massone)) {
+ partner_shake[i][j] = 1;
+ nshake[i]++;
+ continue;
+ }
+ }
+ }
+ }
+ }
+
+ // -----------------------------------------------------
+ // set partner_nshake for bonded partners
+ // requires communication for off-proc partners
+ // -----------------------------------------------------
+
+ // fill in partner_nshake if own bond partner
+ // info to store in buf for each off-proc bond =
+ // 2 atoms IDs in bond, space for nshake value
+ // nbufmax = largest buffer needed to hold info from any proc
+
+ nbuf = 0;
+ for (i = 0; i < nlocal; i++) {
+ for (j = 0; j < npartner[i]; j++) {
+ m = atom->map(partner_tag[i][j]);
+ if (m >= 0 && m < nlocal) partner_nshake[i][j] = nshake[m];
+ else nbuf += 3;
+ }
+ }
+
+ memory->create(buf,nbuf,"filter/corotate:buf");
+
+ // fill buffer with info
+
+ size = 0;
+ for (i = 0; i < nlocal; i++) {
+ for (j = 0; j < npartner[i]; j++) {
+ m = atom->map(partner_tag[i][j]);
+ if (m < 0 || m >= nlocal) {
+ buf[size] = tag[i];
+ buf[size+1] = partner_tag[i][j];
+ size += 3;
+ }
+ }
+ }
+
+ // cycle buffer around ring of procs back to self
+
+ fsptr = this;
+ comm->ring(size,sizeof(tagint),buf,2,ring_nshake,buf);
+
+ // store partner info returned to me
+
+ m = 0;
+ while (m < size) {
+ i = atom->map(buf[m]);
+ for (j = 0; j < npartner[i]; j++)
+ if (buf[m+1] == partner_tag[i][j]) break;
+ partner_nshake[i][j] = buf[m+2];
+ m += 3;
+ }
+
+ memory->destroy(buf);
+
+ // -----------------------------------------------------
+ // error checks
+ // no atom with nshake > 3
+ // no connected atoms which both have nshake > 1
+ // -----------------------------------------------------
+
+ flag = 0;
+ for (i = 0; i < nlocal; i++) if (nshake[i] > 4) flag = 1;
+ MPI_Allreduce(&flag,&flag_all,1,MPI_INT,MPI_SUM,world);
+ if (flag_all) error->all(FLERR,"Cluster of more than 5 atoms");
+
+ flag = 0;
+ for (i = 0; i < nlocal; i++) {
+ if (nshake[i] <= 1) continue;
+ for (j = 0; j < npartner[i]; j++)
+ if (partner_shake[i][j] && partner_nshake[i][j] > 1) flag = 1;
+ }
+ MPI_Allreduce(&flag,&flag_all,1,MPI_INT,MPI_SUM,world);
+ if (flag_all) error->all(FLERR,"Clusters are connected");
+
+ // -----------------------------------------------------
+ // set SHAKE arrays that are stored with atoms & add angle constraints
+ // zero shake arrays for all owned atoms
+ // if I am central atom set shake_flag & shake_atom & shake_type
+ // for 2-atom clusters, I am central atom if my atom ID < partner ID
+ // for 3-atom clusters, test for angle constraint
+ // angle will be stored by this atom if it exists
+ // if angle type matches angle_flag, then it is angle-constrained
+ // shake_flag[] = 0 if atom not in SHAKE cluster
+ // 2,3,4 = size of bond-only cluster
+ // 1 = 3-atom angle cluster
+ // shake_atom[][] = global IDs of 2,3,4 atoms in cluster
+ // central atom is 1st
+ // for 2-atom cluster, lowest ID is 1st
+ // shake_type[][] = bondtype of each bond in cluster
+ // for 3-atom angle cluster, 3rd value is angletype
+ // -----------------------------------------------------
+
+ for (i = 0; i < nlocal; i++) {
+ shake_flag[i] = 0;
+ shake_atom[i][0] = 0;
+ shake_atom[i][1] = 0;
+ shake_atom[i][2] = 0;
+ shake_atom[i][3] = 0;
+ shake_atom[i][4] = 0;
+ shake_type[i][0] = 0;
+ shake_type[i][1] = 0;
+ shake_type[i][2] = 0;
+ shake_type[i][3] = 0;
+
+ if (nshake[i] == 1) {
+ for (j = 0; j < npartner[i]; j++)
+ if (partner_shake[i][j]) break;
+ if (partner_nshake[i][j] == 1 && tag[i] < partner_tag[i][j]) {
+ shake_flag[i] = 2;
+ shake_atom[i][0] = tag[i];
+ shake_atom[i][1] = partner_tag[i][j];
+ shake_type[i][0] = partner_bondtype[i][j];
+ }
+ }
+
+ if (nshake[i] > 1) {
+ shake_flag[i] = 1;
+ shake_atom[i][0] = tag[i];
+ for (j = 0; j < npartner[i]; j++)
+ if (partner_shake[i][j]) {
+ m = shake_flag[i];
+ shake_atom[i][m] = partner_tag[i][j];
+ shake_type[i][m-1] = partner_bondtype[i][j];
+ shake_flag[i]++;
+ }
+ }
+
+ if (nshake[i] == 2 && angles_allow) {
+ n = angletype_findset(i,shake_atom[i][1],shake_atom[i][2],0);
+ if (n <= 0) continue;
+ //if (angle_flag[n]) { Take all angles!
+ shake_flag[i] = 1;
+ shake_type[i][2] = n;
+ //}
+ }
+ }
+
+ // -----------------------------------------------------
+ // set shake_flag,shake_atom,shake_type for non-central atoms
+ // requires communication for off-proc atoms
+ // -----------------------------------------------------
+
+ // fill in shake arrays for each bond partner I own
+ // info to store in buf for each off-proc bond =
+ // all values from shake_flag, shake_atom, shake_type
+ // nbufmax = largest buffer needed to hold info from any proc
+
+ nbuf = 0;
+ for (i = 0; i < nlocal; i++) {
+ if (shake_flag[i] == 0) continue;
+ for (j = 0; j < npartner[i]; j++) {
+ if (partner_shake[i][j] == 0) continue;
+ m = atom->map(partner_tag[i][j]);
+ if (m >= 0 && m < nlocal) {
+ shake_flag[m] = shake_flag[i];
+ shake_atom[m][0] = shake_atom[i][0];
+ shake_atom[m][1] = shake_atom[i][1];
+ shake_atom[m][2] = shake_atom[i][2];
+ shake_atom[m][3] = shake_atom[i][3];
+ shake_atom[m][4] = shake_atom[i][4];
+ shake_type[m][0] = shake_type[i][0];
+ shake_type[m][1] = shake_type[i][1];
+ shake_type[m][2] = shake_type[i][2];
+ shake_type[m][3] = shake_type[i][3];
+ } else nbuf += 11;
+ }
+ }
+
+ memory->create(buf,nbuf,"filter/corotate:buf");
+
+ // fill buffer with info
+
+ size = 0;
+ for (i = 0; i < nlocal; i++) {
+ if (shake_flag[i] == 0) continue;
+ for (j = 0; j < npartner[i]; j++) {
+ if (partner_shake[i][j] == 0) continue;
+ m = atom->map(partner_tag[i][j]);
+ if (m < 0 || m >= nlocal) {
+ buf[size] = partner_tag[i][j];
+ buf[size+1] = shake_flag[i];
+ buf[size+2] = shake_atom[i][0];
+ buf[size+3] = shake_atom[i][1];
+ buf[size+4] = shake_atom[i][2];
+ buf[size+5] = shake_atom[i][3];
+ buf[size+6] = shake_atom[i][4];
+ buf[size+7] = shake_type[i][0];
+ buf[size+8] = shake_type[i][1];
+ buf[size+9] = shake_type[i][2];
+ buf[size+10] = shake_type[i][3];
+ size += 11;
+ }
+ }
+ }
+
+ // cycle buffer around ring of procs back to self
+
+ fsptr = this;
+ comm->ring(size,sizeof(tagint),buf,3,ring_shake,NULL);
+
+ memory->destroy(buf);
+
+ // -----------------------------------------------------
+ // free local memory
+ // -----------------------------------------------------
+
+ memory->destroy(npartner);
+ memory->destroy(nshake);
+ memory->destroy(partner_tag);
+ memory->destroy(partner_mask);
+ memory->destroy(partner_type);
+ memory->destroy(partner_massflag);
+ memory->destroy(partner_bondtype);
+ memory->destroy(partner_shake);
+ memory->destroy(partner_nshake);
+
+ // -----------------------------------------------------
+ // set bond_type and angle_type negative for SHAKE clusters
+ // must set for all SHAKE bonds and angles stored by each atom
+ // -----------------------------------------------------
+
+ /* for (i = 0; i < nlocal; i++) {
+ * if (shake_flag[i] == 0) continue;
+ * else if (shake_flag[i] == 1) {
+ * bondtype_findset(i,shake_atom[i][0],shake_atom[i][1],-1);
+ * bondtype_findset(i,shake_atom[i][0],shake_atom[i][2],-1);
+ * angletype_findset(i,shake_atom[i][1],shake_atom[i][2],-1);
+} else if (shake_flag[i] == 2) {
+ bondtype_findset(i,shake_atom[i][0],shake_atom[i][1],-1);
+} else if (shake_flag[i] == 3) {
+ bondtype_findset(i,shake_atom[i][0],shake_atom[i][1],-1);
+ bondtype_findset(i,shake_atom[i][0],shake_atom[i][2],-1);
+} else if (shake_flag[i] == 4) {
+ bondtype_findset(i,shake_atom[i][0],shake_atom[i][1],-1);
+ bondtype_findset(i,shake_atom[i][0],shake_atom[i][2],-1);
+ bondtype_findset(i,shake_atom[i][0],shake_atom[i][3],-1);
+}
+}*/
+
+ // -----------------------------------------------------
+ // print info on SHAKE clusters
+ // -----------------------------------------------------
+
+ int count1,count2,count3,count4,count5;
+ count1 = count2 = count3 = count4 = count5 = 0;
+ for (i = 0; i < nlocal; i++) {
+ if (shake_flag[i] == 1) count1++;
+ else if (shake_flag[i] == 2) count2++;
+ else if (shake_flag[i] == 3) count3++;
+ else if (shake_flag[i] == 4) count4++;
+ else if (shake_flag[i] == 5) count5++;
+ }
+
+ int tmp;
+ tmp = count1;
+ MPI_Allreduce(&tmp,&count1,1,MPI_INT,MPI_SUM,world);
+ tmp = count2;
+ MPI_Allreduce(&tmp,&count2,1,MPI_INT,MPI_SUM,world);
+ tmp = count3;
+ MPI_Allreduce(&tmp,&count3,1,MPI_INT,MPI_SUM,world);
+ tmp = count4;
+ MPI_Allreduce(&tmp,&count4,1,MPI_INT,MPI_SUM,world);
+ tmp = count5;
+ MPI_Allreduce(&tmp,&count5,1,MPI_INT,MPI_SUM,world);
+
+ if (me == 0) {
+ if (screen) {
+ fprintf(screen," %d = # of size 2 clusters\n",count2/2);
+ fprintf(screen," %d = # of size 3 clusters\n",count3/3);
+ fprintf(screen," %d = # of size 4 clusters\n",count4/4);
+ fprintf(screen," %d = # of size 5 clusters\n",count5/5);
+ fprintf(screen," %d = # of frozen angles\n",count1/3);
+ }
+ if (logfile) {
+ fprintf(logfile," %d = # of size 2 clusters\n",count2/2);
+ fprintf(logfile," %d = # of size 3 clusters\n",count3/3);
+ fprintf(logfile," %d = # of size 4 clusters\n",count4/4);
+ fprintf(logfile," %d = # of size 5 clusters\n",count5/5);
+ fprintf(logfile," %d = # of frozen angles\n",count1/3);
+ }
+ }
+}
+
+/* ----------------------------------------------------------------------
+ * when receive buffer, scan bond partner IDs for atoms I own
+ * if I own partner:
+ * fill in mask and type and massflag
+ * search for bond with 1st atom and fill in bondtype
+ * ------------------------------------------------------------------------- */
+
+void FixFilterCorotate::ring_bonds(int ndatum, char *cbuf)
+{
+ Atom *atom = fsptr->atom;
+ double *rmass = atom->rmass;
+ double *mass = atom->mass;
+ int *mask = atom->mask;
+ int *type = atom->type;
+ int nlocal = atom->nlocal;
+ int nmass = fsptr->nmass;
+
+ tagint *buf = (tagint *) cbuf;
+ int m,n;
+ double massone;
+
+ for (int i = 0; i < ndatum; i += 6) {
+ m = atom->map(buf[i+1]);
+ if (m >= 0 && m < nlocal) {
+ buf[i+2] = mask[m];
+ buf[i+3] = type[m];
+ if (nmass) {
+ if (rmass) massone = rmass[m];
+ else massone = mass[type[m]];
+ buf[i+4] = fsptr->masscheck(massone);
+ }
+ if (buf[i+5] == 0) {
+ n = fsptr->bondtype_findset(m,buf[i],buf[i+1],0);
+ if (n) buf[i+5] = n;
+ }
+ }
+ }
+}
+
+/* ----------------------------------------------------------------------
+ * when receive buffer, scan bond partner IDs for atoms I own
+ * if I own partner, fill in nshake value
+ * ------------------------------------------------------------------------- */
+
+void FixFilterCorotate::ring_nshake(int ndatum, char *cbuf)
+{
+ Atom *atom = fsptr->atom;
+ int nlocal = atom->nlocal;
+
+ int *nshake = fsptr->nshake;
+
+ tagint *buf = (tagint *) cbuf;
+ int m;
+
+ for (int i = 0; i < ndatum; i += 3) {
+ m = atom->map(buf[i+1]);
+ if (m >= 0 && m < nlocal) buf[i+2] = nshake[m];
+ }
+}
+
+/* ----------------------------------------------------------------------
+ * when receive buffer, scan bond partner IDs for atoms I own
+ * if I own partner, fill in nshake value
+ * ------------------------------------------------------------------------- */
+
+void FixFilterCorotate::ring_shake(int ndatum, char *cbuf)
+{
+ Atom *atom = fsptr->atom;
+ int nlocal = atom->nlocal;
+
+ int *shake_flag = fsptr->shake_flag;
+ tagint **shake_atom = fsptr->shake_atom;
+ int **shake_type = fsptr->shake_type;
+
+ tagint *buf = (tagint *) cbuf;
+ int m;
+
+ for (int i = 0; i < ndatum; i += 11) {
+ m = atom->map(buf[i]);
+ if (m >= 0 && m < nlocal) {
+ shake_flag[m] = buf[i+1];
+ shake_atom[m][0] = buf[i+2];
+ shake_atom[m][1] = buf[i+3];
+ shake_atom[m][2] = buf[i+4];
+ shake_atom[m][3] = buf[i+5];
+ shake_atom[m][4] = buf[i+6];
+ shake_type[m][0] = buf[i+7];
+ shake_type[m][1] = buf[i+8];
+ shake_type[m][2] = buf[i+9];
+ shake_type[m][3] = buf[i+10];
+ }
+ }
+}
+
+/* ----------------------------------------------------------------------
+ * check if massone is within MASSDELTA of any mass in mass_list
+ * return 1 if yes, 0 if not
+ * ------------------------------------------------------------------------- */
+
+int FixFilterCorotate::masscheck(double massone)
+{
+ for (int i = 0; i < nmass; i++)
+ if (fabs(mass_list[i]-massone) <= MASSDELTA) return 1;
+ return 0;
+}
+
+/* --------------------------------------------------------------------------
+ * filter one cluster of arbitrary size
+ * ---------------------------------------------------------------------------*/
+
+void FixFilterCorotate::general_cluster(int index, int index_in_list)
+{
+ //index: shake index, index_in_list: corresponding index in list
+
+ //get q0, nselect:
+ double *q0 = clist_q0[index_in_list];
+ int nselect1 = clist_nselect1[index_in_list];
+ int nselect2 = clist_nselect2[index_in_list];
+ int *select1 = clist_select1[index_in_list];
+ int *select2 = clist_select2[index_in_list];
+
+ int N = shake_flag[index]; //number of atoms in cluster
+ if (N == 1) N = 3; //angle cluster
+
+ double**x = atom->x;
+ double norm1, norm2, norm3;
+
+ int* list_cluster = new int[N]; //contains local IDs of cluster atoms, 0 = center
+ double* m = new double[N]; //contains local mass
+ double *r = new double[N]; //contains r[i] = 1/||del[i]||
+ double** del = new double*[N]; //contains del[i] = x_i-x_0
+ for (int i = 0; i<N; i++)
+ del[i] = new double[3];
+
+ for (int i = 0; i < N; i++)
+ {
+ list_cluster[i] = atom->map(shake_atom[index][i]);
+ m[i] = atom->mass[atom->type[list_cluster[i]]];
+ }
+
+ //%CALC r_i:
+ for (int i = 1; i < N; i++)
+ {
+ del[i][0] = x[list_cluster[i]][0] - x[list_cluster[0]][0];
+ del[i][1] = x[list_cluster[i]][1] - x[list_cluster[0]][1];
+ del[i][2] = x[list_cluster[i]][2] - x[list_cluster[0]][2];
+ domain->minimum_image(del[i]);
+ r[i] = 1.0/sqrt(del[i][0]*del[i][0]+del[i][1]*del[i][1]+del[i][2]*del[i][2]);
+ }
+ //special case i=0: need del[0] for compact notation of array_atom later...
+ del[0][0] = del[0][1] = del[0][2] = r[0] = 0.0;
+
+ //calc n1:
+ n1[0] = n1[1] = n1[2] = 0.0;
+
+ int k;
+ for (int i = 0; i < nselect1; i++)
+ {
+ k = select1[i];
+ n1[0] += del[k][0]*r[k];
+ n1[1] += del[k][1]*r[k];
+ n1[2] += del[k][2]*r[k];
+ }
+ norm1 = 1.0/sqrt(n1[0]*n1[0]+n1[1]*n1[1]+n1[2]*n1[2]);
+
+ n1[0] *= norm1;
+ n1[1] *= norm1;
+ n1[2] *= norm1;
+
+ //calc n2:
+ n2[0] = n2[1] = n2[2] = 0.0;
+
+ for (int i = 0; i < nselect2; i++)
+ {
+ k = select2[i];
+ n2[0] += del[k][0]*r[k];
+ n2[1] += del[k][1]*r[k];
+ n2[2] += del[k][2]*r[k];
+ }
+ if (!nselect2) //cluster of size 2, has only one direction
+ n2[0] = n2[1] = n2[2] = 1.0;
+
+ double alpha = n2[0]*n1[0] + n2[1]*n1[1] + n2[2]*n1[2];
+
+ n2[0] -= alpha*n1[0];
+ n2[1] -= alpha*n1[1];
+ n2[2] -= alpha*n1[2];
+
+ norm2 = 1.0/sqrt(n2[0]*n2[0]+n2[1]*n2[1]+n2[2]*n2[2]);
+
+ n2[0] *= norm2;
+ n2[1] *= norm2;
+ n2[2] *= norm2;
+
+ n3[0] = n1[1]*n2[2] - n1[2]*n2[1];
+ n3[1] = n1[2]*n2[0] - n1[0]*n2[2];
+ n3[2] = n1[0]*n2[1] - n1[1]*n2[0];
+
+ norm3 = 1.0/sqrt(n3[0]*n3[0]+n3[1]*n3[1]+n3[2]*n3[2]);
+
+ n3[0] *= norm3;
+ n3[1] *= norm3;
+ n3[2] *= norm3;
+
+ //%x_filter:
+ for (int i = 0; i < N; i++)
+ {
+ k = list_cluster[i];
+ array_atom[k][0] = x[k][0]+q0[3*i]*n1[0]+q0[3*i+1]*n2[0]+q0[3*i+2]*n3[0];
+ array_atom[k][1] = x[k][1]+q0[3*i]*n1[1]+q0[3*i+1]*n2[1]+q0[3*i+2]*n3[1];
+ array_atom[k][2] = x[k][2]+q0[3*i]*n1[2]+q0[3*i+1]*n2[2]+q0[3*i+2]*n3[2];
+ }
+
+ double m_all = 0.0;
+ for (int i = 0; i<N; i++)
+ m_all += m[i];
+
+ //%x+X_center
+
+ for (int i = 0; i<N; i++)
+ {
+ k = list_cluster[i];
+ for (int j = 0; j < N; j++)
+ {
+ array_atom[k][0] += m[j]/m_all*(del[j][0]-del[i][0]);
+ array_atom[k][1] += m[j]/m_all*(del[j][1]-del[i][1]);
+ array_atom[k][2] += m[j]/m_all*(del[j][2]-del[i][2]);
+ }
+ }
+
+ //derivative:
+ //dn1dx:
+ double sum1[3][3*N];
+ for (int i=0; i<3; i++)
+ for (int j=0; j<3*N; j++)
+ sum1[i][j] = 0;
+
+ double I3mn1n1T[3][3]; //(I_3 - n1n1T)
+ for (int i=0; i<3; i++)
+ {
+ for (int j=0; j<3; j++)
+ I3mn1n1T[i][j] = -n1[i]*n1[j];
+ I3mn1n1T[i][i] += 1.0;
+ }
+ // sum1 part of dn1dx:
+ for (int l = 0; l < nselect1; l++)
+ {
+ k = select1[l];
+ for (int i=0; i<3; i++)
+ {
+ for (int j=0; j<3; j++)
+ {
+ double help = del[k][i]*del[k][j]*r[k]*r[k]*r[k];
+ sum1[i][j+3*k] -= help;
+ sum1[i][j] += help;
+ }
+ sum1[i][i+3*k] += r[k];
+ sum1[i][i] -= r[k];
+ }
+ }
+ //dn1dx = norm1 * I3mn1n1T * sum1
+ for (int i=0; i<3; i++)
+ {
+ for (int j=0; j<3*N; j++)
+ {
+ double sum = 0;
+ for (int l = 0; l<3; l++)
+ sum += I3mn1n1T[i][l]*sum1[l][j];
+ dn1dx[i][j] = norm1*sum;
+ }
+ }
+
+ //dn2dx: norm2 * I3mn2n2T * (I3mn1n1T*sum2 - rkn1pn1rk*dn1dx)
+ double sum2[3][3*N];
+ for (int i=0; i<3; i++)
+ for (int j=0; j<3*N; j++)
+ sum2[i][j] = 0;
+
+ double I3mn2n2T[3][3]; //(I_3 - n2n2T)
+ for (int i=0; i<3; i++)
+ {
+ for (int j=0; j<3; j++)
+ I3mn2n2T[i][j] = -n2[i]*n2[j];
+ I3mn2n2T[i][i] += 1.0;
+ }
+
+ // sum2 part of dn1dx:
+ for (int l = 0; l < nselect2; l++)
+ {
+ k = select2[l];
+ for (int i=0; i<3; i++)
+ {
+ for (int j=0; j<3; j++)
+ {
+ double help = del[k][i]*del[k][j]*r[k]*r[k]*r[k];
+ sum2[i][j+3*k] -= help;
+ sum2[i][j] += help;
+ }
+ sum2[i][i+3*k] += r[k];
+ sum2[i][i] -= r[k];
+ }
+ }
+
+ //prefaktor:
+ double rkn1pn1rk[3][3];
+ double rk[3]; rk[0] = rk[1] = rk[2] = 0.0;
+
+ for (int i = 0; i < nselect2; i++)
+ {
+ k = select2[i];
+ rk[0] += del[k][0]*r[k];
+ rk[1] += del[k][1]*r[k];
+ rk[2] += del[k][2]*r[k];
+ }
+ //rkn1pn1rk = rkT*n1*I3 + n1*rkT
+ double scalar = rk[0]*n1[0]+rk[1]*n1[1]+rk[2]*n1[2];
+ for (int i=0; i<3; i++)
+ {
+ for (int j=0; j<3; j++)
+ rkn1pn1rk[i][j] = n1[i]*rk[j];
+ rkn1pn1rk[i][i] += scalar;
+ }
+ //dn2dx: norm2 * I3mn2n2T * (I3mn1n1T*sum2 - rkn1pn1rk*dn1dx)
+ //sum3 = (I3mn1n1T*sum2 - rkn1pn1rk*dn1dx)
+ double sum3[3][3*N];
+ for (int i=0; i<3; i++)
+ {
+ for (int j=0; j<3*N; j++)
+ {
+ double sum = 0;
+ for (int l = 0; l<3; l++)
+ sum += I3mn1n1T[i][l]*sum2[l][j] - rkn1pn1rk[i][l]*dn1dx[l][j];
+ sum3[i][j] = sum;
+ }
+ }
+ //dn2dx = norm2 * I3mn2n2T * sum3
+ for (int i=0; i<3; i++)
+ {
+ for (int j=0; j<3*N; j++)
+ {
+ double sum = 0;
+ for (int l = 0; l<3; l++)
+ sum += I3mn2n2T[i][l]*sum3[l][j];
+ dn2dx[i][j] = norm2*sum;
+ }
+ }
+
+ //dn3dx = norm3 * I3mn3n3T * cross
+ double I3mn3n3T[3][3]; //(I_3 - n3n3T)
+ for (int i=0; i<3; i++)
+ {
+ for (int j=0; j<3; j++)
+ I3mn3n3T[i][j] = -n3[i]*n3[j];
+ I3mn3n3T[i][i] += 1.0;
+ }
+
+ double cross[3][3*N];
+
+ for (int j=0; j<3*N; j++)
+ {
+ cross[0][j] = dn1dx[1][j]*n2[2] -dn1dx[2][j]*n2[1] + n1[1]*dn2dx[2][j]-n1[2]*dn2dx[1][j];
+ cross[1][j] = dn1dx[2][j]*n2[0] -dn1dx[0][j]*n2[2] + n1[2]*dn2dx[0][j]-n1[0]*dn2dx[2][j];
+ cross[2][j] = dn1dx[0][j]*n2[1] -dn1dx[1][j]*n2[0] + n1[0]*dn2dx[1][j]-n1[1]*dn2dx[0][j];
+ }
+
+ for (int i=0; i<3; i++)
+ {
+ for (int j=0; j<3*N; j++)
+ {
+ double sum = 0;
+ for (int l = 0; l<3; l++)
+ sum += I3mn3n3T[i][l]*cross[l][j];
+ dn3dx[i][j] = norm3*sum;
+ }
+ }
+ for (int l=0; l<N; l++)
+ for (int i=0; i<3; i++)
+ for (int j=0; j<3*N; j++)
+ help2[i+3*l][j] = q0[3*l]*dn1dx[i][j] + q0[3*l+1]*dn2dx[i][j] + q0[3*l+2]*dn3dx[i][j];
+
+ for (int j=0; j<N; j++)
+ for (int l=0; l<N; l++)
+ for (int i=0; i<3; i++)
+ help2[i+3*l][i+3*j] += m[j]/m_all;
+
+ //need transposed of help2:
+ for (int ii = 0; ii < 3*N; ii++)
+ for (int jj = 0; jj < 3*N; jj++)
+ clist_derv[index_in_list][ii][jj] = help2[jj][ii];
+
+ //free memory
+ delete [] list_cluster;
+ delete [] m;
+ delete [] r;
+ for (int i = 0; i<N; i++)
+ delete [] del[i];
+ delete [] del;
+}
+
+
+
+int FixFilterCorotate::pack_forward_comm(int n, int *list, double *buf,int pbc_flag, int *pbc)
+{
+ int i,j,m;
+ double**f = atom->f;
+ m = 0;
+ for (i = 0; i < n; i++)
+ {
+ j = list[i];
+
+ buf[m++] = f[j][0];
+ buf[m++] = f[j][1];
+ buf[m++] = f[j][2];
+ }
+ return m;
+}
+
+void FixFilterCorotate::unpack_forward_comm(int n, int first, double *buf)
+{
+ int i,m,last;
+ double **f = atom->f;
+ m = 0;
+ last = first + n;
+
+ for (i = first; i < last; i++)
+ {
+ f[i][0] = buf[m++];
+ f[i][1] = buf[m++];
+ f[i][2] = buf[m++];
+ }
+}
+
+/* ----------------------------------------------------------------------
+ * find a bond between global atom IDs n1 and n2 stored with local atom i
+ * if find it:
+ * if setflag = 0, return bond type
+ * if setflag = -1/1, set bond type to negative/positive and return 0
+ * if do not find it, return 0
+ * ------------------------------------------------------------------------- */
+
+int FixFilterCorotate::bondtype_findset(int i, tagint n1, tagint n2, int setflag)
+{
+ int m,nbonds;
+ int *btype;
+
+
+ tagint *tag = atom->tag;
+ tagint **bond_atom = atom->bond_atom;
+ nbonds = atom->num_bond[i];
+
+ for (m = 0; m < nbonds; m++) {
+ if (n1 == tag[i] && n2 == bond_atom[i][m]) break;
+ if (n1 == bond_atom[i][m] && n2 == tag[i]) break;
+ }
+
+
+
+ if (m < nbonds) {
+ if (setflag == 0)
+ return atom->bond_type[i][m];
+
+ if ((setflag < 0 && atom->bond_type[i][m] > 0) ||
+ (setflag > 0 && atom->bond_type[i][m] < 0))
+ atom->bond_type[i][m] = -atom->bond_type[i][m];
+
+ }
+
+ return 0;
+}
+
+/* ----------------------------------------------------------------------
+ * find an angle with global end atom IDs n1 and n2 stored with local atom i
+ * if find it:
+ * if setflag = 0, return angle type
+ * if setflag = -1/1, set angle type to negative/positive and return 0
+ * if do not find it, return 0
+ * ------------------------------------------------------------------------- */
+
+int FixFilterCorotate::angletype_findset(int i, tagint n1, tagint n2, int setflag)
+{
+ int m,nangles;
+ int *atype;
+
+
+ tagint **angle_atom1 = atom->angle_atom1;
+ tagint **angle_atom3 = atom->angle_atom3;
+ nangles = atom->num_angle[i];
+
+ for (m = 0; m < nangles; m++) {
+ if (n1 == angle_atom1[i][m] && n2 == angle_atom3[i][m]) break;
+ if (n1 == angle_atom3[i][m] && n2 == angle_atom1[i][m]) break;
+ }
+
+
+ if (m < nangles) {
+ if (setflag == 0) {
+ return atom->angle_type[i][m];
+ }
+
+ if ((setflag < 0 && atom->angle_type[i][m] > 0) ||
+ (setflag > 0 && atom->angle_type[i][m] < 0))
+ atom->angle_type[i][m] = -atom->angle_type[i][m];
+
+ }
+
+ return 0;
+}
+
+
+/* ----------------------------------------------------------------------
+ * allocate local atom-based arrays
+ * ------------------------------------------------------------------------- */
+
+void FixFilterCorotate::grow_arrays(int nmax)
+{
+ memory->grow(array_atom,nmax,3,"FilterCorotate:peratomarray");
+ memory->grow(shake_flag,nmax,"FilterCorotate::shake_flag");
+ memory->grow(shake_atom,nmax,5,"FilterCorotate::shake_atom");
+ memory->grow(shake_type,nmax,4,"FilterCorotate::shake_type");
+}
+
+/* ----------------------------------------------------------------------
+ * memory usage of local atom-based arrays
+ * ------------------------------------------------------------------------- */
+
+double FixFilterCorotate::memory_usage()
+{
+ double bytes = 0;
+ //GROW:
+ bytes += 3*sizeof(double) + 5*sizeof(tagint) + 5*sizeof(int);
+ //clist
+ bytes += 13*atom->nlocal*sizeof(int);
+ bytes += 15*16*nlocal*sizeof(double);
+
+ //fixed:
+ int nb = atom->nbondtypes+1;
+ int na = atom->nangletypes+1;
+ int nt = atom->ntypes+1;
+ bytes += (nb+na+nt)*sizeof(int);
+ bytes += (nt-1+nb+na+15*15+18+10*15)*sizeof(double);
+
+ //output:
+ //bytes += (2*nb+2*na)*sizeof(int);
+ //bytes += (6*na+6*nb)*sizeof(double);
+
+ return bytes;
+}
+
+
+/* ----------------------------------------------------------------------
+ * copy values within local atom-based arrays
+ * ------------------------------------------------------------------------- */
+
+void FixFilterCorotate::copy_arrays(int i, int j, int delflag)
+{
+ int flag = shake_flag[j] = shake_flag[i];
+ if (flag == 1) {
+ shake_atom[j][0] = shake_atom[i][0];
+ shake_atom[j][1] = shake_atom[i][1];
+ shake_atom[j][2] = shake_atom[i][2];
+ shake_type[j][0] = shake_type[i][0];
+ shake_type[j][1] = shake_type[i][1];
+ shake_type[j][2] = shake_type[i][2];
+ } else if (flag == 2) {
+ shake_atom[j][0] = shake_atom[i][0];
+ shake_atom[j][1] = shake_atom[i][1];
+ shake_type[j][0] = shake_type[i][0];
+ } else if (flag == 3) {
+ shake_atom[j][0] = shake_atom[i][0];
+ shake_atom[j][1] = shake_atom[i][1];
+ shake_atom[j][2] = shake_atom[i][2];
+ shake_type[j][0] = shake_type[i][0];
+ shake_type[j][1] = shake_type[i][1];
+ shake_type[j][2] = shake_type[i][2];
+ } else if (flag == 4) {
+ shake_atom[j][0] = shake_atom[i][0];
+ shake_atom[j][1] = shake_atom[i][1];
+ shake_atom[j][2] = shake_atom[i][2];
+ shake_atom[j][3] = shake_atom[i][3];
+ shake_type[j][0] = shake_type[i][0];
+ shake_type[j][1] = shake_type[i][1];
+ shake_type[j][2] = shake_type[i][2];
+ } else if (flag == 5) {
+ shake_atom[j][0] = shake_atom[i][0];
+ shake_atom[j][1] = shake_atom[i][1];
+ shake_atom[j][2] = shake_atom[i][2];
+ shake_atom[j][3] = shake_atom[i][3];
+ shake_atom[j][4] = shake_atom[i][4];
+ shake_type[j][0] = shake_type[i][0];
+ shake_type[j][1] = shake_type[i][1];
+ shake_type[j][2] = shake_type[i][2];
+ shake_type[j][3] = shake_type[i][3];
+ }
+}
+
+/* ----------------------------------------------------------------------
+ * initialize one atom's array values, called when atom is created
+ * ------------------------------------------------------------------------- */
+
+void FixFilterCorotate::set_arrays(int i)
+{
+ shake_flag[i] = 0;
+}
+
+/* ----------------------------------------------------------------------
+ * update one atom's array values
+ * called when molecule is created from fix gcmc
+ * ------------------------------------------------------------------------- */
+
+void FixFilterCorotate::update_arrays(int i, int atom_offset)
+{
+ int flag = shake_flag[i];
+
+ if (flag == 1) {
+ shake_atom[i][0] += atom_offset;
+ shake_atom[i][1] += atom_offset;
+ shake_atom[i][2] += atom_offset;
+ } else if (flag == 2) {
+ shake_atom[i][0] += atom_offset;
+ shake_atom[i][1] += atom_offset;
+ } else if (flag == 3) {
+ shake_atom[i][0] += atom_offset;
+ shake_atom[i][1] += atom_offset;
+ shake_atom[i][2] += atom_offset;
+ } else if (flag == 4) {
+ shake_atom[i][0] += atom_offset;
+ shake_atom[i][1] += atom_offset;
+ shake_atom[i][2] += atom_offset;
+ shake_atom[i][3] += atom_offset;
+ } else if (flag == 5) {
+ shake_atom[i][0] += atom_offset;
+ shake_atom[i][1] += atom_offset;
+ shake_atom[i][2] += atom_offset;
+ shake_atom[i][3] += atom_offset;
+ shake_atom[i][4] += atom_offset;
+ }
+}
+
+
+/* ----------------------------------------------------------------------
+ * pack values in local atom-based arrays for exchange with another proc
+ * ------------------------------------------------------------------------- */
+
+int FixFilterCorotate::pack_exchange(int i, double *buf)
+{
+ int m = 0;
+ buf[m++] = shake_flag[i];
+ int flag = shake_flag[i];
+ if (flag == 1) {
+ buf[m++] = shake_atom[i][0];
+ buf[m++] = shake_atom[i][1];
+ buf[m++] = shake_atom[i][2];
+ buf[m++] = shake_type[i][0];
+ buf[m++] = shake_type[i][1];
+ buf[m++] = shake_type[i][2];
+ } else if (flag == 2) {
+ buf[m++] = shake_atom[i][0];
+ buf[m++] = shake_atom[i][1];
+ buf[m++] = shake_type[i][0];
+ } else if (flag == 3) {
+ buf[m++] = shake_atom[i][0];
+ buf[m++] = shake_atom[i][1];
+ buf[m++] = shake_atom[i][2];
+ buf[m++] = shake_type[i][0];
+ buf[m++] = shake_type[i][1];
+ buf[m++] = shake_type[i][2];
+ } else if (flag == 4) {
+ buf[m++] = shake_atom[i][0];
+ buf[m++] = shake_atom[i][1];
+ buf[m++] = shake_atom[i][2];
+ buf[m++] = shake_atom[i][3];
+ buf[m++] = shake_type[i][0];
+ buf[m++] = shake_type[i][1];
+ buf[m++] = shake_type[i][2];
+ } else if (flag == 5) {
+ buf[m++] = shake_atom[i][0];
+ buf[m++] = shake_atom[i][1];
+ buf[m++] = shake_atom[i][2];
+ buf[m++] = shake_atom[i][3];
+ buf[m++] = shake_atom[i][4];
+ buf[m++] = shake_type[i][0];
+ buf[m++] = shake_type[i][1];
+ buf[m++] = shake_type[i][2];
+ buf[m++] = shake_type[i][3];
+ }
+ return m;
+}
+
+/* ----------------------------------------------------------------------
+ * unpack values in local atom-based arrays from exchange with another proc
+ * ------------------------------------------------------------------------- */
+
+int FixFilterCorotate::unpack_exchange(int nlocal, double *buf)
+{
+ int m = 0;
+ int flag = shake_flag[nlocal] = static_cast<int> (buf[m++]);
+ if (flag == 1) {
+ shake_atom[nlocal][0] = static_cast<tagint> (buf[m++]);
+ shake_atom[nlocal][1] = static_cast<tagint> (buf[m++]);
+ shake_atom[nlocal][2] = static_cast<tagint> (buf[m++]);
+ shake_type[nlocal][0] = static_cast<int> (buf[m++]);
+ shake_type[nlocal][1] = static_cast<int> (buf[m++]);
+ shake_type[nlocal][2] = static_cast<int> (buf[m++]);
+ } else if (flag == 2) {
+ shake_atom[nlocal][0] = static_cast<tagint> (buf[m++]);
+ shake_atom[nlocal][1] = static_cast<tagint> (buf[m++]);
+ shake_type[nlocal][0] = static_cast<int> (buf[m++]);
+ } else if (flag == 3) {
+ shake_atom[nlocal][0] = static_cast<tagint> (buf[m++]);
+ shake_atom[nlocal][1] = static_cast<tagint> (buf[m++]);
+ shake_atom[nlocal][2] = static_cast<tagint> (buf[m++]);
+ shake_type[nlocal][0] = static_cast<int> (buf[m++]);
+ shake_type[nlocal][1] = static_cast<int> (buf[m++]);
+ shake_type[nlocal][2] = static_cast<int> (buf[m++]);
+ } else if (flag == 4) {
+ shake_atom[nlocal][0] = static_cast<tagint> (buf[m++]);
+ shake_atom[nlocal][1] = static_cast<tagint> (buf[m++]);
+ shake_atom[nlocal][2] = static_cast<tagint> (buf[m++]);
+ shake_atom[nlocal][3] = static_cast<tagint> (buf[m++]);
+ shake_type[nlocal][0] = static_cast<int> (buf[m++]);
+ shake_type[nlocal][1] = static_cast<int> (buf[m++]);
+ shake_type[nlocal][2] = static_cast<int> (buf[m++]);
+ } else if (flag == 5) {
+ shake_atom[nlocal][0] = static_cast<tagint> (buf[m++]);
+ shake_atom[nlocal][1] = static_cast<tagint> (buf[m++]);
+ shake_atom[nlocal][2] = static_cast<tagint> (buf[m++]);
+ shake_atom[nlocal][3] = static_cast<tagint> (buf[m++]);
+ shake_atom[nlocal][4] = static_cast<tagint> (buf[m++]);
+ shake_type[nlocal][0] = static_cast<int> (buf[m++]);
+ shake_type[nlocal][1] = static_cast<int> (buf[m++]);
+ shake_type[nlocal][2] = static_cast<int> (buf[m++]);
+ shake_type[nlocal][3] = static_cast<int> (buf[m++]);
+ }
+ return m;
+}
diff --git a/src/USER-MISC/fix_filter_corotate.h b/src/USER-MISC/fix_filter_corotate.h
new file mode 100644
index 000000000..fdac4bed7
--- /dev/null
+++ b/src/USER-MISC/fix_filter_corotate.h
@@ -0,0 +1,139 @@
+/* ----------------------------------------------------------------------
+ LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+ http://lammps.sandia.gov, Sandia National Laboratories
+ Steve Plimpton, sjplimp@sandia.gov
+
+ Copyright (2003) Sandia Corporation. Under the terms of Contract
+ DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+ certain rights in this software. This software is distributed under
+ the GNU General Public License.
+
+ See the README file in the top-level LAMMPS directory.
+ ------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+ Contributing author: Lukas Fath (KIT)
+ some subroutines are from fix_shake.cpp
+ ------------------------------------------------------------------------- */
+
+#ifdef FIX_CLASS
+
+FixStyle(filter/corotate,FixFilterCorotate)
+
+#else
+
+#ifndef LMP_FIX_FILTER_COROTATE_H
+#define LMP_FIX_FILTER_COROTATE_H
+
+#include "fix.h"
+
+namespace LAMMPS_NS
+{
+
+ class FixFilterCorotate : public Fix
+ {
+ public:
+
+ FixFilterCorotate(class LAMMPS *, int, char **);
+ ~FixFilterCorotate();
+ void setup(int);
+ void setup_pre_neighbor();
+ void pre_neighbor();
+ void setup_pre_force_respa(int,int);
+// void setup_post_force_respa(int,int);
+ void pre_force_respa(int, int, int);
+ void post_force_respa(int, int, int);
+
+ void init();
+ int setmask();
+
+ double compute_array(int,int);
+
+ int pack_forward_comm(int, int *, double *, int, int *);
+ void unpack_forward_comm(int, int, double *);
+ void grow_arrays(int );
+ double memory_usage();
+
+ void copy_arrays(int, int, int);
+ void set_arrays(int);
+ void update_arrays(int, int);
+
+ int pack_exchange(int, double *);
+ int unpack_exchange(int, double *);
+
+ protected:
+
+ int me,nprocs;
+
+ int flevel; //filtered respa level
+
+ double **help2; //temp derivative
+ double **x_store; //temp for atom->x
+ double *g; //temp for derivative
+
+ double*n1,*n2,*n3, *del1, *del2,*del3;
+
+ double**dn1dx,**dn2dx,**dn3dx;
+
+ int *bond_flag,*angle_flag; // bond/angle types to constrain
+ int *type_flag; // constrain bonds to these types
+ double *mass_list; // constrain bonds to these masses
+ int nmass; // # of masses in mass_list
+
+ int molecular; // copy of atom->molecular
+ double *bond_distance,*angle_distance; // constraint distances
+
+ int nlevels_respa; // copies of needed rRESPA variables
+
+ double **x,**v,**f; // local ptrs to atom class quantities
+ double *mass,*rmass;
+ int *type;
+ int nlocal;
+ // atom-based arrays
+ int *shake_flag; // 0 if atom not in SHAKE cluster
+ // 1 = size 3 angle cluster
+ // 2,3,4 = size of bond-only cluster
+ tagint **shake_atom; // global IDs of atoms in cluster
+ // central atom is 1st
+ // lowest global ID is 1st for size 2
+ int **shake_type; // bondtype of each bond in cluster
+ // for angle cluster, 3rd value
+ // is angletype
+ int *nshake; // count
+
+ int *list; // list of clusters to SHAKE
+ int nlist,maxlist; // size and max-size of list
+ double ***clist_derv; //stores derivative
+ double **clist_q0; //stores reference config
+ int *clist_nselect1, *clist_nselect2; //stores length of each selec. list
+ int **clist_select1, **clist_select2; //stores selection lists
+
+ void find_clusters();
+ int masscheck(double);
+
+ void filter_inner();
+ void filter_outer();
+
+ void general_cluster(int,int);
+
+ void stats();
+ int bondtype_findset(int, tagint, tagint, int);
+ int angletype_findset(int, tagint, tagint, int);
+
+ // static variable for ring communication callback to access class data
+ // callback functions for ring communication
+
+ static FixFilterCorotate *fsptr;
+ static void ring_bonds(int, char *);
+ static void ring_nshake(int, char *);
+ static void ring_shake(int, char *);
+
+ int sgn(double val) {
+ return (0 < val) - (val < 0);
+ };
+ };
+
+}
+
+#endif
+#endif
\ No newline at end of file