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lammps/tools/moltemplate/common/oplsaa/oplsaa.txt
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# This text appears to be taken from the "oplsaa.prm" file here:
# http://dasher.wustl.edu/ffe/distribution/params/oplsaa.prm
##############################
## ##
## Force Field Definition ##
## ##
##############################
#forcefield OPLS-AA
#vdwindex TYPE
#vdwtype LENNARD-JONES
#radiusrule GEOMETRIC
#radiustype SIGMA
#radiussize DIAMETER
#epsilonrule GEOMETRIC
#torsionunit 0.5
#imptorunit 0.5
#vdw-14-scale 2.0
#chg-14-scale 2.0
#electric 332.06
#dielectric 1.0
#############################
## ##
## Literature References ##
## ##
#############################
#The parameters supplied with TINKER are from "OPLS All-Atom Parameters
#for Organic Molecules, Ions, Peptides & Nucleic Acids, July 2008" as
#provided by W. L. Jorgensen, Yale University during June 2009. These
#parameters are taken from those distributed with BOSS Version 4.8.
#Note that "atom type" numbers and not "atom class" numbers are used
#to index van der Waals parameters, see the "vdwindex" keyword above
#The atom types with (UA) in the description are "united atom" values,
#ie, OPLS-UA, where any nonpolar hydrogen atoms are combined onto their
#attached atoms. All other parameters are "all-atom", OPLS-AA, including
#explicit hydrogen atoms.
#############################
## ##
## Atom Type Definitions ##
## ##
#############################
atom 1 1 F "Fluoride -CH2-F (UA)" 9 18.998 1
atom 2 2 C2 "Fluoride -CH2-F (UA)" 6 14.027 2
atom 3 3 C "Acetic Acid -COOH (UA)" 6 12.011 3
atom 4 4 O "Acetic Acid >C=O (UA)" 8 15.999 1
atom 5 5 OH "Acetic Acid -OH (UA)" 8 15.999 2
atom 6 6 C3 "Acetic Acid CH3- (UA)" 6 15.035 1
atom 7 7 HO "Acetic Acid -OH (UA)" 1 1.008 1
atom 8 8 C4 "Methane CH4 (UA)" 6 16.043 0
atom 9 6 C3 "Ethane CH3- (UA)" 6 15.035 1
atom 10 6 C3 "N-Alkane CH3- (UA)" 6 15.035 1
atom 11 6 C3 "Isobutane CH3- (UA)" 6 15.035 1
atom 12 6 C3 "Neopentane CH3- (UA)" 6 15.035 1
atom 13 2 C2 "Alkanes -CH2- (UA)" 6 14.027 2
atom 14 9 C9 "1-Alkene CH2= (UA)" 6 14.027 1
atom 15 10 CH "Isobutane CH (UA)" 6 13.019 3
atom 16 11 C8 "2-Alkene -CH= (UA)" 6 13.019 2
atom 17 12 CD "Aromatic CH (UA)" 6 13.019 2
atom 18 13 CT "Neopentane C (UA)" 6 12.011 4
atom 19 14 C7 "Isobutene >C= (UA)" 6 12.011 3
atom 20 5 OH "Alcohol OH (UA)" 8 15.999 2
atom 21 7 HO "Alcohol OH (UA)" 1 1.008 1
atom 22 6 C3 "Methanol CH3- (UA)" 6 15.035 1
atom 23 2 C2 "Ethanol -CH2OH (UA)" 6 14.027 2
atom 24 15 SH "Hydrogen Sulfide H2S" 16 32.060 2
atom 25 15 SH "Alkyl Sulfide RSH (UA)" 16 32.060 2
atom 26 16 S "Thioether RSR (UA)" 16 32.060 2
atom 27 16 S "Disulfide RSSR (UA)" 16 32.060 2
atom 28 17 HS "Hydrogen Sulfide H2S" 1 1.008 1
atom 29 17 HS "Alkyl Sulfide RSH (UA)" 1 1.008 1
atom 30 6 C3 "Methyl Sulfide CH3 (UA)" 6 15.035 1
atom 31 2 C2 "Alkyl Sulfide CH2 (UA)" 6 14.027 2
atom 32 6 C3 "Thioether CH3 (UA)" 6 15.035 1
atom 33 2 C2 "Thioether CH2 (UA)" 6 14.027 2
atom 34 6 C3 "Disulfide CH3 (UA)" 6 15.035 1
atom 35 2 C2 "Disulfide CH2 (UA)" 6 14.027 2
atom 36 18 NZ "Acetonitrile -CN (UA)" 7 14.007 1
atom 37 19 CZ "Acetonitrile -CN (UA)" 6 12.011 2
atom 38 6 C3 "Acetonitrile CH3 (UA)" 6 15.035 1
atom 39 20 OW "TIP5P Water O" 8 15.999 4
atom 40 21 HW "TIP5P Water H" 1 1.008 1
atom 41 22 LP "TIP5P Water M" 99 0.000 1
atom 42 23 DM "Dummy Atom" 99 0.000 0
atom 43 24 He "Helium Atom" 2 4.003 0
atom 44 25 Ne "Neon Atom" 10 20.179 0
atom 45 26 Ar "Argon Atom" 18 39.948 0
atom 46 27 Kr "Krypton Atom" 36 83.800 0
atom 47 28 Xe "Xenon Atom" 54 131.300 0
atom 48 10 CH "Isopropanol >CHOH (UA)" 6 13.019 3
atom 49 13 CT "t-Butanol COH (UA)" 6 12.011 4
atom 50 29 OS "Ether ROR (UA)" 8 15.999 2
atom 51 6 C3 "Ether CH3-OR (UA)" 6 15.035 1
atom 52 2 C2 "Ether -CH2-OR (UA)" 6 14.027 2
atom 53 20 OW "TIP3P Water O" 8 15.999 2
atom 54 21 HW "TIP3P Water H" 1 1.008 1
atom 55 20 OW "TIP4P Water O" 8 15.999 3
atom 56 21 HW "TIP4P Water H" 1 1.008 1
atom 57 22 LP "TIP4P Water M" 99 0.000 1
atom 58 20 OW "TIP3F Water O" 8 15.999 2
atom 59 21 HW "TIP3F Water H" 1 1.008 1
atom 60 2 C2 "Methylene Chloride (UA)" 6 14.027 2
atom 61 30 Cl "Methylene Chloride (UA)" 17 35.453 1
atom 62 10 CH "Chloroform CHCl3 (UA)" 6 12.011 3
atom 63 30 Cl "Chloroform CHCl3 (UA)" 17 35.453 1
atom 64 13 CT "Carbon Tetrachloride" 6 12.011 4
atom 65 30 Cl "Carbon Tetrachloride" 17 35.453 1
atom 66 31 SZ "DMSO >S=O (UA)" 16 32.060 3
atom 67 32 OY "DMSO >S=O (UA)" 8 15.999 1
atom 68 6 C3 "DMSO CH3- (UA)" 6 15.035 1
atom 69 33 NT "Ammonia NH3" 7 14.007 3
atom 70 34 H "Ammonia NH3" 1 1.008 1
atom 71 4 O "DMF C=O (UA)" 8 15.999 1
atom 72 35 N "DMF CON< (UA)" 7 14.007 3
atom 73 3 C "DMF C=O (UA)" 6 12.011 3
atom 74 6 C3 "DMF CH3- (UA)" 6 15.035 1
atom 75 20 OW "SPC Water O" 8 15.999 2
atom 76 21 HW "SPC Water H" 1 1.008 1
atom 77 13 CT "Alkane CH3-" 6 12.011 4
atom 78 13 CT "Alkane -CH2-" 6 12.011 4
atom 79 13 CT "Alkane >CH-" 6 12.011 4
atom 80 13 CT "Methane CH4" 6 12.011 4
atom 81 13 CT "Alkane >C<" 6 12.011 4
atom 82 36 HC "Alkane H-C" 1 1.008 1
atom 83 37 CM "Alkene R2-C=" 6 12.011 3
atom 84 37 CM "Alkene RH-C=" 6 12.011 3
atom 85 37 CM "Alkene H2-C=" 6 12.011 3
atom 86 36 HC "Alkene H-C=" 1 1.008 1
atom 87 38 CA "Aromatic C" 6 12.011 3
atom 88 39 HA "Aromatic H-C" 1 1.008 1
atom 89 38 CA "Naphthalene Fusion C" 6 12.011 3
atom 90 13 CT "Ethyl Benzene CH3-" 6 12.011 4
atom 91 13 CT "Ethyl Benzene -CH2-" 6 12.011 4
atom 92 40 C= "Diene =CH-CH=" 6 12.011 3
atom 93 5 OH "Alcohol -OH" 8 15.999 2
atom 94 7 HO "Alcohol -OH" 1 1.008 1
atom 95 36 HC "Methanol CH3-" 1 1.008 1
atom 96 13 CT "Alcohol CH3OH & RCH2OH" 6 12.011 4
atom 97 13 CT "Alcohol R2CHOH" 6 12.011 4
atom 98 13 CT "Alcohol R3COH" 6 12.011 4
atom 99 13 CT "Trifluoroethanol -CH2-" 6 12.011 4
atom 100 13 CT "Trifluoroethanol CF3-" 6 12.011 4
atom 101 5 OH "Trifluoroethanol -OH" 8 15.999 2
atom 102 7 HO "Trifluoroethanol -OH" 1 1.008 1
atom 103 1 F "Trifluoroethanol F" 9 18.998 1
atom 104 36 HC "Trifluoroethanol -CH2-" 1 1.008 1
atom 105 38 CA "Phenol C-OH" 6 12.011 3
atom 106 5 OH "Phenol -OH" 8 15.999 2
atom 107 7 HO "Phenol -OH" 1 1.008 1
atom 108 5 OH "Diol -OH" 8 15.999 2
atom 109 7 HO "Diol -OH" 1 1.008 1
atom 110 5 OH "Triol -OH" 8 15.999 2
atom 111 7 HO "Triol -OH" 1 1.008 1
atom 112 13 CT "Diol & Triol -CH2OH" 6 12.011 4
atom 113 13 CT "Diol & Triol -CHROH" 6 12.011 4
atom 114 13 CT "Diol & Triol -CR2OH" 6 12.011 4
atom 115 36 HC "Diol & Triol H-COH" 1 1.008 1
atom 116 29 OS "Diphenyl Ether" 8 15.999 2
atom 117 40 C= "Diene =CR-CR=" 6 12.011 3
atom 118 29 OS "Anisole -OCH3" 8 15.999 1
atom 119 29 OS "Dialkyl Ether -O-" 8 15.999 2
atom 120 13 CT "Methyl Ether CH3OR" 6 12.011 4
atom 121 13 CT "Ethyl Ether -CH2OR" 6 12.011 4
atom 122 13 CT "Isopropyl Ether >CHOR" 6 12.011 4
atom 123 13 CT "t-Butyl Ether COR" 6 12.011 4
atom 124 36 HC "Alkyl Ether H-COR" 1 1.008 1
atom 125 29 OS "Acetal RO-CR2OX" 8 15.999 4
atom 126 5 OH "Hemiacetal -OH" 8 15.999 2
atom 127 7 HO "Hemiacetal -OH" 1 1.008 1
atom 128 41 CO "Acetal RO-CH2-OR" 6 12.011 4
atom 129 36 HC "Acetal RO-CH2-OR" 1 1.008 1
atom 130 41 CO "Hemiacetal RO-CH2-OH" 6 12.011 4
atom 131 36 HC "Hemiacetal RO-CH2-OH" 1 1.008 1
atom 132 41 CO "Acetal RO-CHR-OR" 6 12.011 4
atom 133 36 HC "Acetal RO-CHR-OR" 1 1.008 1
atom 134 41 CO "Hemiacetal RO-CHR-OH" 6 12.011 4
atom 135 36 HC "Hemiacetal RO-CHR-OH" 1 1.008 1
atom 136 41 CO "Acetal RO-CR2-OR" 6 12.011 4
atom 137 41 CO "Hemiacetal RO-CR2-OH" 6 12.011 4
atom 138 38 CA "Anisole C-OCH3" 6 12.011 4
atom 139 15 SH "Thiol -SH" 16 32.060 2
atom 140 15 SH "Hydrogen Sulfide H2S" 16 32.060 2
atom 141 16 S "Sulfide -S-" 16 32.060 2
atom 142 16 S "Disulfide -S-S-" 16 32.060 2
atom 143 17 HS "Thiol -SH" 1 1.008 1
atom 144 17 HS "Hydrogen Sulfide H2S" 1 1.008 1
atom 145 13 CT "Thiol -CH2-SH" 6 12.011 4
atom 146 13 CT "Thiol >CH-SH" 6 12.011 4
atom 147 13 CT "Thiol C-SH" 6 12.011 4
atom 148 13 CT "Methyl Sulfide CH3-SR" 6 12.011 4
atom 149 13 CT "Sulfide RCH2-SR" 6 12.011 4
atom 150 13 CT "Sulfide R2CH-SR" 6 12.011 4
atom 151 13 CT "Sulfide R3C-SR" 6 12.011 4
atom 152 13 CT "Disulfide CH3-S-SR" 6 12.011 4
atom 153 13 CT "Disulfide RCH2-S-SR" 6 12.011 4
atom 154 13 CT "Disulfide R2CH-S-SR" 6 12.011 4
atom 155 13 CT "Disulfide R3C-S-SR" 6 12.011 4
atom 156 13 CT "Methanethiol CH3-SH" 6 12.011 4
atom 157 13 CT "Benzyl Alcohol -CH2OH" 6 12.011 4
atom 158 13 CT "Benzyl Alcohol -CHROH" 6 12.011 4
atom 159 13 CT "Benzyl Alcohol -CR2OH" 6 12.011 4
atom 160 38 CA "Benzyl Alcohol/Nitrile" 6 12.011 3
atom 161 16 S "Thioanisole -SCH3" 16 32.060 2
atom 162 13 CT "RCH2-NH2 & GLY CA" 6 12.011 4
atom 163 13 CT "RCHR-NH2 & ALA CA" 6 12.011 4
atom 164 13 CT "R3C-NH2 & AIB CA" 6 12.011 4
atom 165 30 Cl "Chloroalkene Cl-CH=" 17 35.453 1
atom 166 37 CM "Chloroalkene Cl-CH=" 6 12.011 3
atom 167 38 CA "Thioanisole C-SCH3" 6 12.011 3
atom 168 13 CT "Amide -NH-CHR2" 6 12.011 4
atom 169 13 CT "Amide -NH-CR3" 6 12.011 4
atom 170 3 C "Benzophenone C=O" 6 12.011 3
atom 171 3 C "Benzaldehyde C=O" 6 12.011 3
atom 172 3 C "Acetophenone C=O" 6 12.011 3
atom 173 3 C "Benzamide C=O" 6 12.011 3
atom 174 3 C "Amide C=O" 6 12.011 3
atom 175 4 O "Amide C=O" 8 15.999 1
atom 176 35 N "Amide -CO-NH2" 7 14.007 3
atom 177 35 N "Amide -CO-NHR" 7 14.007 3
atom 178 35 N "Amide -CO-NR2" 7 14.007 3
atom 179 34 H "Amide -CO-NH2" 1 1.008 1
atom 180 34 H "Amide -CO-NHR" 1 1.008 1
atom 181 13 CT "Amide -NH-CH3" 6 12.011 4
atom 182 13 CT "Amide -NR-CH3" 6 12.011 4
atom 183 13 CT "Amide -NH-CH2R" 6 12.011 4
atom 184 13 CT "Amide -NR-CH2R & PRO CD" 6 12.011 4
atom 185 13 CT "Amide -NR-CHR2 & PRO CA" 6 12.011 4
atom 186 3 C "Urea C=O" 6 12.011 3
atom 187 4 O "Urea C=O" 8 15.999 1
atom 188 35 N "Urea -NH2" 7 14.007 3
atom 189 34 H "Urea -NH2" 1 1.008 1
atom 190 35 N "Imide -NH-" 7 14.007 3
atom 191 3 C "Imide C=O" 6 12.011 3
atom 192 4 O "Imide C=O" 8 15.999 1
atom 193 34 H "Imide -NH-" 1 1.008 1
atom 194 36 HC "Formimide H-C=O" 1 1.008 1
atom 195 13 CT "Imide CH3-CONHCO-" 6 12.011 4
atom 196 13 CT "Imide -CH2-CONHCO-" 6 12.011 4
atom 197 13 CT "Imide >CH-CONHCO-" 6 12.011 4
atom 198 13 CT "Imide C-CONHCO-" 6 12.011 4
atom 199 38 CA "Benzonitrile C-CN" 6 12.011 3
atom 200 19 CZ "Benzonitrile -CN" 6 12.011 2
atom 201 18 NZ "Benzonitrile -CN" 7 14.007 1
atom 202 38 CA "Chlorobenzene C-Cl" 6 12.011 3
atom 203 30 Cl "Chlorobenzene C-Cl" 17 35.453 1
atom 204 35 N "N-Phenylacetamide N" 7 14.007 3
atom 205 38 CA "N-Phenylacetamide N-CA" 6 12.011 3
atom 206 3 C "Carboxylic Acid -COOH" 6 12.011 3
atom 207 5 OH "Carboxylic Acid C=O" 8 15.999 1
atom 208 4 O "Carboxylic Acid -OH" 8 15.999 2
atom 209 7 HO "Carboxylic Acid -COOH" 1 1.008 1
atom 210 3 C "Carboxylate COO-" 6 12.011 3
atom 211 42 O2 "Carboxylate COO-" 8 15.999 1
atom 212 13 CT "Carboxylate CH3-COO-" 6 12.011 4
atom 213 13 CT "Carboxylate RCH2-COO-" 6 12.011 4
atom 214 13 CT "Carboxylate R2CH-COO-" 6 12.011 4
atom 215 13 CT "Carboxylate R3C-COO-" 6 12.011 4
atom 216 3 C "Aldehyde/Acyl Halide C=O" 6 12.011 3
atom 217 4 O "Aldyhyde/Acyl Halide C=O" 8 15.999 1
atom 218 36 HC "Aldehyde/Formamide HCO-" 1 1.008 1
atom 219 3 C "Ketone C=O" 6 12.011 3
atom 220 4 O "Ketone C=O" 8 15.999 1
atom 221 36 HC "Acyl H-C-COX" 1 1.008 1
atom 222 13 CT "C-Terminal ALA CA" 6 12.011 4
atom 223 13 CT "C-Terminal GLY CA" 6 12.011 4
atom 224 13 CT "C-Terminal AIB CA" 6 12.011 4
atom 225 13 CT "C-Terminal PRO CA" 6 12.011 4
atom 226 43 N3 "Ammonium NH4+" 7 14.007 4
atom 227 43 N3 "Ammonium RNH3+" 7 14.007 4
atom 228 43 N3 "Ammonium R4N+" 7 14.007 4
atom 229 44 H3 "Ammonium NH4+" 1 1.008 1
atom 230 44 H3 "Ammonium RNH3+" 1 1.008 1
atom 231 13 CT "Ammonium CH3-NH3+" 6 12.011 4
atom 232 13 CT "CH3NH3+/N-Term GLY CA" 6 12.011 4
atom 233 13 CT "RCH2NH3+/N-Term ALA CA" 6 12.011 4
atom 234 13 CT "R3C-NH3+/N-Term AIB CA" 6 12.011 4
atom 235 13 CT "N-Terminal PRO CA" 6 12.011 4
atom 236 13 CT "N-Terminal PRO CD" 6 12.011 4
atom 237 13 CT "Ammonium CH3-NH2R+" 6 12.011 4
atom 238 13 CT "GLY Zwitterion CA" 6 12.011 4
atom 239 13 CT "ALA Zwitterion CA" 6 12.011 4
atom 240 45 N2 "Guanidinium -NH2" 7 14.007 3
atom 241 44 H3 "Guanidinium -NH2" 1 1.008 1
atom 242 38 CA "Guanidinium C+" 6 12.011 3
atom 243 45 N2 "Guanidinium -NHR" 7 14.007 3
atom 244 44 H3 "Guanidinium -NHR" 1 1.008 1
atom 245 13 CT "Me Guanidinium CH3-" 6 12.011 4
atom 246 13 CT "Et Guanidinium CH3-" 6 12.011 4
atom 247 13 CT "Et Guan -CH2- & ARG CD" 6 12.011 4
atom 248 13 CT "Pr Guan -CH2- & ARG CG" 6 12.011 4
atom 249 43 N3 "Ammonium R2NH2+" 7 14.007 4
atom 250 44 H3 "Ammonium R2NH2+" 1 1.008 1
atom 251 46 NC "Diaminopyridine N1" 7 14.007 2
atom 252 38 CA "Diaminopyridine C2" 6 12.011 3
atom 253 45 N2 "Diaminopyridine -NH2" 7 14.007 3
atom 254 34 H "Diaminopyridine -NH2" 1 1.008 3
atom 255 38 CA "Diaminopyridine C3" 6 12.011 3
atom 256 39 HA "Diaminopyridine H3" 1 1.008 1
atom 257 38 CA "Diaminopyridine C4" 6 12.011 3
atom 258 39 HA "Diaminopyridine H4" 1 1.008 1
atom 259 47 NA "Uracil & Thymine N1" 7 14.007 3
atom 260 3 C "Uracil & Thymine C2" 6 12.011 3
atom 261 47 NA "Uracil & Thymine N3" 7 14.007 3
atom 262 3 C "Uracil & Thymine C4" 6 12.011 3
atom 263 37 CM "Uracil & Thymine C5" 6 12.011 3
atom 264 37 CM "Uracil & Thymine C6" 6 12.011 3
atom 265 34 H "Uracil & Thymine HN1" 1 1.008 1
atom 266 4 O "Uracil & Thymine O2" 8 15.999 1
atom 267 34 H "Uracil & Thymine HN3" 1 1.008 1
atom 268 4 O "Uracil & Thymine O4" 8 15.999 1
atom 269 36 HC "Uracil & Thymine HC5" 1 1.008 1
atom 270 36 HC "Uracil & Thymine HC6" 1 1.008 1
atom 271 13 CT "Thymine CH3-" 6 12.011 4
atom 272 36 HC "Thymine CH3-" 1 1.008 1
atom 273 47 NA "Cytosine N1" 7 14.007 3
atom 274 3 C "Cytosine C2" 6 12.011 3
atom 275 46 NC "Cytosine N3" 7 14.007 2
atom 276 38 CA "Cytosine C4" 6 12.011 3
atom 277 37 CM "Cytosine C5" 6 12.011 3
atom 278 37 CM "Cytosine C6" 6 12.011 3
atom 279 34 H "Cytosine HN1" 1 1.008 1
atom 280 4 O "Cytosine O2" 8 15.999 1
atom 281 45 N2 "Cytosine NH2-" 7 14.007 3
atom 282 34 H "Cytosine NH2- (N3)" 1 1.008 1
atom 283 34 H "Cytosine NH2- (C5)" 1 1.008 1
atom 284 36 HC "Cytosine HC5" 1 1.008 1
atom 285 48 H4 "Cytosine HC6" 1 1.008 1
atom 286 46 NC "Adenine N1" 7 14.007 2
atom 287 49 CQ "Adenine C2" 6 12.011 3
atom 288 46 NC "Adenine N3" 7 14.007 2
atom 289 50 CB "Adenine C4" 6 12.011 3
atom 290 50 CB "Adenine C5" 6 12.011 3
atom 291 38 CA "Adenine C6" 6 12.011 3
atom 292 51 NB "Adenine & Guanine N7" 7 14.007 2
atom 293 52 CK "Adenine & Guanine C8" 6 12.011 3
atom 294 47 NA "Adenine & Guanine N9" 7 14.007 2
atom 295 53 H5 "Adenine HC2" 1 1.008 1
atom 296 45 N2 "Adenine NH2-" 7 14.007 3
atom 297 34 H "Adenine NH2- (N1)" 1 1.008 1
atom 298 34 H "Adenine NH2- (C5)" 1 1.008 1
atom 299 53 H5 "Adenine & Guanine HC8" 1 1.008 1
atom 300 34 H "Adenine & Guanine HN9" 1 1.008 1
atom 301 47 NA "Guanine N1" 7 14.007 3
atom 302 38 CA "Guanine C2" 6 12.011 3
atom 303 46 NC "Guanine N3" 7 14.007 2
atom 304 50 CB "Guanine C4" 6 12.011 3
atom 305 50 CB "Guanine C5" 6 12.011 3
atom 306 3 C "Guanine C6" 6 12.011 3
atom 307 34 H "Guanine HN1" 1 1.008 1
atom 308 45 N2 "Guanine NH2-" 7 14.007 3
atom 309 34 H "Guanine NH2-" 1 1.008 1
atom 310 4 O "Guanine O6" 8 15.999 1
atom 311 13 CT "9-Me A & 9-Me-G CH3-" 6 12.011 4
atom 312 36 HC "9-Me-A & 9-Me-G CH3-" 1 1.008 1
atom 313 13 CT "1-Me-U & 1-Me-T CH3-" 6 12.011 4
atom 314 36 HC "1-Me-U & 1-Me-T CH3-" 1 1.008 1
atom 315 13 CT "1-Me-Cytosine CH3-" 6 12.011 4
atom 316 36 HC "1-Me-Cytosine CH3-" 1 1.008 1
atom 317 47 NA "CytosineH+ N1" 7 14.007 3
atom 318 3 C "CytosineH+ C2" 6 12.011 3
atom 319 47 NA "CytosineH+ N3" 7 14.007 3
atom 320 38 CA "CytosineH+ C4" 6 12.011 3
atom 321 37 CM "CytosineH+ C5" 6 12.011 3
atom 322 37 CM "CytosineH+ C6" 6 12.011 3
atom 323 34 H "CytosineH+ HN1" 1 1.008 1
atom 324 4 O "CytosineH+ O2" 8 15.999 1
atom 325 34 H "CytosineH+ HN3" 1 1.008 1
atom 326 45 N2 "CytosineH+ NH2-" 7 14.007 3
atom 327 34 H "CytosineH+ NH2- (N3)" 1 1.008 1
atom 328 34 H "CytosineH+ NH2- (C5)" 1 1.008 1
atom 329 39 HA "CytosineH+ HC5" 1 1.008 1
atom 330 48 H4 "CytosineH+ HC6" 1 1.008 1
atom 331 13 CT "1-Me-CytosineH+ CH3-" 6 12.011 4
atom 332 36 HC "1-Me-CytosineH+ CH3-" 1 1.008 1
atom 333 54 P "DiMePhosphate P (UA)" 15 30.974 4
atom 334 42 O2 "DiMePhosphate O=P-O (UA)" 8 15.999 1
atom 335 29 OS "DiMePhosphate CH3-O (UA)" 8 15.999 2
atom 336 13 CT "DiMePhosphate CH3-O (UA)" 6 15.035 1
atom 337 37 CM "Trifluorothymine CF3-" 6 12.011 4
atom 338 30 Cl "Chloroalkene Cl2-C=" 17 35.453 1
atom 339 37 CM "Chloroalkene Cl2-C=" 6 12.011 3
atom 340 1 F "Fluoride Ion F-" 9 18.998 0
atom 341 30 Cl "Chloride Ion Cl-" 17 35.453 0
atom 342 55 Br "Bromide Ion Br-" 35 79.904 0
atom 343 56 I "Iodide Ion I-" 53 126.905 0
atom 344 57 N4 "Ammonium Ion NH4+ (UA)" 7 18.039 0
atom 345 58 Li "Lithium Ion Li+" 3 6.941 0
atom 346 59 Na "Sodium Ion Na+" 11 22.990 0
atom 347 60 K "Potassium Ion K+" 19 39.098 0
atom 348 61 Rb "Rubidium Ion Rb+" 37 85.468 0
atom 349 62 Cs "Cesium Ion Cs+" 55 132.905 0
atom 350 63 Mg "Magnesium Ion Mg+2" 12 24.305 0
atom 351 64 Ca "Calcium Ion Ca+2" 20 40.080 0
atom 352 65 Sr "Strontium Ion Sr+2" 38 87.620 0
atom 353 66 Ba "Barium Ion Ba+2" 56 137.330 0
atom 354 6 C3 "Methyl Thiolate CH3S-" 6 12.011 4
atom 355 36 HC "Methyl Thiolate CH3S-" 1 1.008 1
atom 356 15 SH "Methyl Thiolate CH3S-" 16 32.060 1
atom 357 6 C3 "Methoxide CH3O-" 6 12.011 4
atom 358 36 HC "Methoxide CH3O-" 1 1.008 1
atom 359 5 OH "Methoxide CH3O-" 8 15.999 1
atom 360 13 CT "Nitrile Anion CNCH2-" 6 12.011 3
atom 361 36 HC "Nitrile Anion CNCH2-" 1 1.008 1
atom 362 19 CZ "Nitrile Anion CNCH2-" 6 12.011 2
atom 363 18 NZ "Nitrile Anion CNCH2-" 7 14.007 1
atom 364 6 C3 "Me Amine Anion CH3NH-" 6 12.011 4
atom 365 36 HC "Me Amine Anion CH3NH-" 1 1.008 1
atom 366 43 N3 "Me Amine Anion CH3NH-" 7 14.007 2
atom 367 34 H "Methyl Amine Anion" 1 1.008 1
atom 368 6 C3 "Ethyl Anion CH3-CH2-" 6 12.011 4
atom 369 36 HC "Ethyl Anion CH3-CH2-" 1 1.008 1
atom 370 13 CT "Ethyl Anion CH3-CH2-" 6 12.011 4
atom 371 36 HC "Ethyl Anion CH3-CH2-" 1 1.008 1
atom 372 22 LP "Ethyl Anion CH3-CH2-" 99 0.000 1
atom 373 5 OH "Hydroxide Ion OH-" 8 15.999 1
atom 374 7 HO "Hydroxide Ion OH-" 1 1.008 1
atom 375 67 U "Uranyl Ion UO2+" 92 238.029 2
atom 376 68 OU "Uranyl Ion UO2+" 8 15.999 1
atom 377 29 OS "GTP O-(POn)2" 8 15.999 2
atom 378 54 P "DiMe Phosphate P" 15 30.974 4
atom 379 42 O2 "DiMe Phosphate O=P-O" 8 15.999 1
atom 380 29 OS "DiMe Phosphate CH3-O" 8 15.999 1
atom 381 13 CT "DiMe Phosphate CH3-O" 6 12.011 4
atom 382 36 HC "DiMe Phosphate CH3-O" 1 1.008 1
atom 383 54 P "Me Phosphate P" 15 30.974 4
atom 384 42 O2 "Me Phosphate O=PO2" 8 15.999 1
atom 385 29 OS "Me Phosphate CH3-O" 8 15.999 1
atom 386 13 CT "Me Phosphate CH3-O" 6 12.011 4
atom 387 36 HC "Me Phosphate CH3-O" 1 1.008 1
atom 388 54 P "Me MePhosphonate P" 15 30.974 4
atom 389 42 O2 "Me MePhosphonate O=P-O" 8 15.999 1
atom 390 29 OS "Me MePhosphonate CH3-O" 8 15.999 1
atom 391 13 CT "Me MePhosphonate CH3-O" 6 12.011 4
atom 392 36 HC "Me MePhosphonate CH3-O" 1 1.008 1
atom 393 13 CT "Me MePhosphonate CH3-P" 6 12.011 4
atom 394 36 HC "Me MePhosphonate CH3-P" 1 1.008 1
atom 395 38 CA "Bz MePhosphonate Cipso" 6 12.011 3
atom 396 13 CT "Bz MePhosphonate CH3-O" 6 12.011 4
atom 397 36 HC "Bz MePhosphonate CH3-O" 1 1.008 1
atom 398 38 CA "Me BzPhosphonate Cipso" 6 12.011 3
atom 399 13 CT "Me BzPhosphonate CH3-P" 6 12.011 4
atom 400 36 HC "Me BzPhosphonate CH3-P" 1 1.008 1
atom 401 38 CA "Ph Phosphate Cipso" 6 12.011 3
atom 402 13 CT "Barbiturate C6(R2)" 6 12.011 4
atom 403 3 C "Ester -COOR" 6 12.011 3
atom 404 4 O "Ester C=O" 8 15.999 1
atom 405 29 OS "Ester CO-O-R" 8 15.999 2
atom 406 13 CT "Methyl Ester -OCH3" 6 12.011 4
atom 407 36 HC "Methyl Ester -OCH3" 1 1.008 1
atom 408 3 C "Benzoic Acid -COOH" 6 12.011 3
atom 409 3 C "Aryl Ester -COOR" 6 12.011 3
atom 410 38 CA "Phenyl Ester Cipso" 6 12.011 3
atom 411 29 OS "Phenyl Ester -OPh" 8 15.999 2
atom 412 69 SY "Sulfonamide -SO2N<" 16 32.060 4
atom 413 32 OY "Sulfonamide -SO2N<" 8 15.999 1
atom 414 13 CT "Sulfonamide CH3-S" 6 12.011 4
atom 415 36 HC "Sulfonamide CH3-S" 1 1.008 1
atom 416 35 N "Sulfonamide -SO2NH2" 7 14.007 3
atom 417 34 H "Sulfonamide -SO2NH2" 1 1.008 1
atom 418 35 N "Sulfonamide -SO2NHR" 7 14.007 3
atom 419 34 H "Sulfonamide -SO2NHR" 1 1.008 1
atom 420 13 CT "N-Me Sulfonamide CH3-" 6 12.011 4
atom 421 36 HC "N-Me Sulfonamide CH3-" 1 1.008 1
atom 422 13 CT "Sulfonamide N-CH2-R" 6 12.011 4
atom 423 36 HC "Sulfonamide N-CH2-R" 1 1.008 1
atom 424 13 CT "N-Et Sulfonamide CH3-" 6 12.011 4
atom 425 36 HC "N-Et Sulfonamide CH3-" 1 1.008 1
atom 426 38 CA "Aryl Sulfonamide C-SO2N" 6 12.011 3
atom 427 38 CA "Aryl Sulfoxide C-S=O" 6 12.011 3
atom 428 13 CT "Et Ester -OCH2R" 6 12.011 4
atom 429 13 CT "i-Pr Ester -OCHR2" 6 12.011 4
atom 430 13 CT "t-Bu Ester -OCR3" 6 12.011 4
atom 431 69 SY "Sulfone R-SO2-R" 16 32.060 4
atom 432 32 OY "Sulfone R-SO2-R" 8 15.999 1
atom 433 31 SZ "Alkyl Aryl Sulfoxide" 16 32.060 3
atom 434 31 SZ "Dialkyl Sulfoxide" 16 32.060 3
atom 435 32 OY "Sulfoxide R-SO-R" 8 15.999 1
atom 436 13 CT "Sulfoxide CH3-SO-R" 6 12.011 4
atom 437 13 CT "Sulfoxide -CH2-SO-R" 6 12.011 4
atom 438 70 C* "TRP CG" 6 12.011 3
atom 439 50 CB "TRP CD" 6 12.011 3
atom 440 71 CN "TRP CE" 6 12.011 3
atom 441 47 NA "TRP NE, HID ND & HIE NE" 7 14.007 3
atom 442 34 H "TRP HNE & HID/HIE HN" 1 1.008 1
atom 443 13 CT "HIS CB" 6 12.011 4
atom 444 72 CR "HID & HIE CE1" 6 12.011 3
atom 445 73 CV "HID CD2 & HIE CG" 6 12.011 3
atom 446 74 CW "HID CG & HIE CD2" 6 12.011 3
atom 447 72 CR "HIP CE1" 6 12.011 3
atom 448 75 CX "HIP CG & CD2" 6 12.011 3
atom 449 51 NB "HID NE & HIE ND" 7 14.007 2
atom 450 47 NA "HIP ND & NE" 7 14.007 3
atom 451 34 H "HIP HND & HNE" 1 1.008 1
atom 452 74 CW "TRP CD1" 6 12.011 3
atom 453 13 CT "i-Pr Benzene -CHMe2" 6 12.011 4
atom 454 13 CT "t-Bu Benzene -CMe3" 6 12.011 4
atom 455 37 CM "Vinyl Ether =CH-OR" 6 12.011 3
atom 456 37 CM "Vinyl Ether =CR-OR" 6 12.011 3
atom 457 76 C! "Biphenyl C1" 6 12.011 3
atom 458 46 NC "Pyridine N" 7 14.007 2
atom 459 38 CA "Pyridine C1" 6 12.011 3
atom 460 38 CA "Pyridine C2" 6 12.011 3
atom 461 38 CA "Pyridine C3" 6 12.011 3
atom 462 39 HA "Pyridine H1" 1 1.008 1
atom 463 39 HA "Pyridine H2" 1 1.008 1
atom 464 39 HA "Pyridine H3" 1 1.008 1
atom 465 46 NC "Pyrazine N" 7 14.007 2
atom 466 38 CA "Pyrazine CH" 6 12.011 3
atom 467 39 HA "Pyrazine CH" 1 1.008 1
atom 468 46 NC "Pyrimidine N" 7 14.007 2
atom 469 49 CQ "Pyrimidine C2" 6 12.011 3
atom 470 38 CA "Pyrimidine C4" 6 12.011 3
atom 471 38 CA "Pyrimidine C5" 6 12.011 3
atom 472 39 HA "Pyrimidine HC2" 1 1.008 1
atom 473 39 HA "Pyrimidine HC4" 1 1.008 1
atom 474 39 HA "Pyrimidine HC5" 1 1.008 1
atom 475 46 NC "Pyridazine N" 7 14.007 2
atom 476 38 CA "Pyridazine C3" 6 12.011 3
atom 477 38 CA "Pyridazine C4" 6 12.011 3
atom 478 39 HA "Pyridazine HC3" 1 1.008 1
atom 479 39 HA "Pyridazine HC4" 1 1.008 1
atom 480 47 NA "Pyrrole N" 7 14.007 3
atom 481 74 CW "Pyrrole C2" 6 12.011 3
atom 482 77 CS "Pyrrole C3" 6 12.011 3
atom 483 34 H "Pyrrole HN" 1 1.008 1
atom 484 39 HA "Pyrrole HC2" 1 1.008 1
atom 485 39 HA "Pyrrole HC3" 1 1.008 1
atom 486 47 NA "Pyrazole N1" 7 14.007 3
atom 487 51 NB "Pyrazole N2" 7 14.007 2
atom 488 78 CU "Pyrazole C3" 6 12.011 3
atom 489 77 CS "Pyrazole C4" 6 12.011 3
atom 490 74 CW "Pyrazole C5" 6 12.011 3
atom 491 34 H "Pyrazole HN1" 1 1.008 1
atom 492 39 HA "Pyrazole HC3" 1 1.008 1
atom 493 39 HA "Pyrazole HC4" 1 1.008 1
atom 494 39 HA "Pyrazole HC5" 1 1.008 1
atom 495 47 NA "Imidazole N1" 7 14.007 3
atom 496 72 CR "Imidazole C2" 6 12.011 3
atom 497 51 NB "Imidazole N3" 7 14.007 2
atom 498 73 CV "Imidazole C4" 6 12.011 3
atom 499 74 CW "Imidazole C5" 6 12.011 3
atom 500 34 H "Imidazole HN1" 1 1.008 1
atom 501 39 HA "Imidazole HC2" 1 1.008 1
atom 502 39 HA "Imidazole HC4" 1 1.008 1
atom 503 39 HA "Imidazole HC5" 1 1.008 1
atom 504 29 OS "Furan O" 8 15.999 2
atom 505 74 CW "Furan C2" 6 12.011 3
atom 506 77 CS "Furan C3" 6 12.011 3
atom 507 39 HA "Furan HC2" 1 1.008 1
atom 508 39 HA "Furan HC3" 1 1.008 1
atom 509 29 OS "Oxazole O" 8 15.999 2
atom 510 72 CR "Oxazole C2" 6 12.011 3
atom 511 51 NB "Oxazole N" 7 14.007 2
atom 512 73 CV "Oxazole C4" 6 12.011 3
atom 513 74 CW "Oxazole C5" 6 12.011 3
atom 514 39 HA "Oxazole HC2" 1 1.008 1
atom 515 39 HA "Oxazole HC4" 1 1.008 1
atom 516 39 HA "Oxazole HC5" 1 1.008 1
atom 517 29 OS "Isoxazole O" 8 15.999 2
atom 518 51 NB "Isoxazole N" 7 14.007 2
atom 519 78 CU "Isoxazole C3" 6 12.011 3
atom 520 77 CS "Isoxazole C4" 6 12.011 3
atom 521 74 CW "Isoxazole C5" 6 12.011 3
atom 522 39 HA "Isoxazole HC3" 1 1.008 1
atom 523 39 HA "Isoxazole HC4" 1 1.008 1
atom 524 39 HA "Isoxazole HC5" 1 1.008 1
atom 525 47 NA "Indole N1" 7 14.007 3
atom 526 74 CW "Indole C2" 6 12.011 3
atom 527 77 CS "Indole C3" 6 12.011 3
atom 528 38 CA "Indole C4" 6 12.011 3
atom 529 38 CA "Indole C5" 6 12.011 3
atom 530 38 CA "Indole C6" 6 12.011 3
atom 531 38 CA "Indole C7" 6 12.011 3
atom 532 71 CN "Indole C8" 6 12.011 3
atom 533 50 CB "Indole C9" 6 12.011 3
atom 534 34 H "Indole HN1" 1 1.008 1
atom 535 39 HA "Indole HC2" 1 1.008 1
atom 536 39 HA "Indole HC3" 1 1.008 1
atom 537 39 HA "Indole HC4" 1 1.008 1
atom 538 39 HA "Indole HC5" 1 1.008 1
atom 539 39 HA "Indole HC6" 1 1.008 1
atom 540 39 HA "Indole HC7" 1 1.008 1
atom 541 46 NC "Quinoline N1" 7 14.007 2
atom 542 38 CA "Quinoline C2" 6 12.011 3
atom 543 38 CA "Quinoline C3" 6 12.011 3
atom 544 38 CA "Quinoline C4" 6 12.011 3
atom 545 38 CA "Quinoline C5" 6 12.011 3
atom 546 38 CA "Quinoline C6" 6 12.011 3
atom 547 38 CA "Quinoline C7" 6 12.011 3
atom 548 38 CA "Quinoline C8" 6 12.011 3
atom 549 38 CA "Quinoline C9" 6 12.011 3
atom 550 38 CA "Quinoline C10" 6 12.011 3
atom 551 39 HA "Quinoline HC2" 1 1.008 1
atom 552 39 HA "Quinoline HC3" 1 1.008 1
atom 553 39 HA "Quinoline HC4" 1 1.008 1
atom 554 39 HA "Quinoline HC5" 1 1.008 1
atom 555 39 HA "Quinoline HC6" 1 1.008 1
atom 556 39 HA "Quinoline HC7" 1 1.008 1
atom 557 39 HA "Quinoline HC8" 1 1.008 1
atom 558 46 NC "Purine N1" 7 14.007 2
atom 559 49 CQ "Purine C2" 6 12.011 3
atom 560 46 NC "Purine N3" 7 14.007 2
atom 561 50 CB "Purine C4" 6 12.011 3
atom 562 50 CB "Purine C5" 6 12.011 3
atom 563 38 CA "Purine C6" 6 12.011 3
atom 564 51 NB "Purine N7" 7 14.007 2
atom 565 52 CK "Purine C8" 6 12.011 3
atom 566 47 NA "Purine N9" 7 14.007 3
atom 567 39 HA "Purine HC2" 1 1.008 1
atom 568 39 HA "Purine HC6" 1 1.008 1
atom 569 39 HA "Purine HC8" 1 1.008 1
atom 570 34 H "Purine HN9" 1 1.008 1
atom 571 16 S "Thiazole S" 16 32.060 2
atom 572 72 CR "Thiazole C2" 6 12.011 3
atom 573 51 NB "Thiazole N" 7 14.007 2
atom 574 73 CV "Thiazole C4" 6 12.011 3
atom 575 74 CW "Thiazole C5" 6 12.011 3
atom 576 39 HA "Thiazole HC2" 1 1.008 1
atom 577 39 HA "Thiazole HC4" 1 1.008 1
atom 578 39 HA "Thiazole HC5" 1 1.008 1
atom 579 46 NC "1,3,5-Triazine N" 7 14.007 2
atom 580 49 CQ "1,3,5-Triazine CH" 6 12.011 3
atom 581 39 HA "1,3,5-Triazine CH" 1 1.008 1
atom 582 38 CA "Serotonin C5-OH" 6 12.011 3
atom 583 13 CT "Serotonin CH2 on C3" 6 12.011 4
atom 584 46 NC "1,10-Phenanthroline N" 7 14.007 2
atom 585 38 CA "1,10-Phenanthroline C2" 6 12.011 3
atom 586 38 CA "1,10-Phenanthroline C3" 6 12.011 3
atom 587 38 CA "1,10-Phenanthroline C4" 6 12.011 3
atom 588 38 CA "1,10-Phenanthroline C12" 6 12.011 3
atom 589 38 CA "1,10-Phenanthroline C11" 6 12.011 3
atom 590 38 CA "1,10-Phenanthroline C5" 6 12.011 3
atom 591 39 HA "1,10-Phenanthroline HC2" 1 1.008 1
atom 592 39 HA "1,10-Phenanthroline HC3" 1 1.008 1
atom 593 39 HA "1,10-Phenanthroline HC4" 1 1.008 1
atom 594 39 HA "1,10-Phenanthroline HC5" 1 1.008 1
atom 595 47 NA "1-Methylimidazole N1" 7 14.007 3
atom 596 72 CR "1-Methylimidazole C2" 6 12.011 3
atom 597 51 NB "1-Methylimidazole N3" 7 14.007 2
atom 598 73 CV "1-Methylimidazole C4" 6 12.011 3
atom 599 74 CW "1-Methylimidazole C5" 6 12.011 3
atom 600 13 CT "1-Methylimidazole CH3-" 6 12.011 4
atom 601 39 HA "1-Methylimidazole HC2" 1 1.008 1
atom 602 39 HA "1-Methylimidazole HC4" 1 1.008 1
atom 603 39 HA "1-Methylimidazole HC5" 1 1.008 1
atom 604 36 HC "1-Methylimidazole CH3-" 1 1.008 1
atom 605 13 CT "1-Et Imidazole RCH2-" 6 12.011 4
atom 606 13 CT "1-iPr Imidazole R2CH-" 6 12.011 4
atom 607 13 CT "1-MeO-Me-Imidazole CH2" 6 12.011 4
atom 608 13 CT "2-Me Pyridine CH3" 6 12.011 4
atom 609 13 CT "2-Et Pyridine CH2" 6 12.011 4
atom 610 13 CT "3-Me Pyridazine CH3" 6 12.011 4
atom 611 13 CT "3-Et Pyridazine CH2" 6 12.011 4
atom 612 13 CT "4-Me Pyrimidine CH3" 6 12.011 4
atom 613 13 CT "4-Et Pyrimidine CH2" 6 12.011 4
atom 614 13 CT "2-Me Pyrazine CH3" 6 12.011 4
atom 615 13 CT "2-Et Pyrazine CH2" 6 12.011 4
atom 616 13 CT "2-Me Pyrrole CH3" 6 12.011 4
atom 617 13 CT "2-Et Pyrrole CH2" 6 12.011 4
atom 618 13 CT "2-Me Furan CH3" 6 12.011 4
atom 619 13 CT "2-Et Furan CH2" 6 12.011 4
atom 620 15 SH "6-Mercaptopurine SH" 16 32.060 2
atom 621 17 HS "6-Mercaptopurine SH" 1 1.008 1
atom 622 38 CA "6-Mercaptopurine C6" 6 12.011 3
atom 623 79 C$ "Beta-Lactam N-C=O" 6 12.011 3
atom 624 80 N$ "Beta-Lactam N-C=O" 7 14.007 4
atom 625 81 CY "Penicillin CH-N" 6 12.011 4
atom 626 81 CY "Penicillin CH-CO" 6 12.011 4
atom 627 13 CT "3-Me Indole CH3" 6 12.011 4
atom 628 76 C! "2-Phenyl Pyridine C2" 6 12.011 3
atom 629 76 C! "2-Phenyl Pyridine C2'" 6 12.011 3
atom 630 76 C! "2-Phenyl Pyridine C3" 6 12.011 3
atom 631 76 C! "2-Phenyl Pyridine C3'" 6 12.011 3
atom 632 76 C! "2-Phenyl Pyridine C4" 6 12.011 3
atom 633 76 C! "2-Phenyl Pyridine C4'" 6 12.011 3
atom 634 16 S "Diphenyl Thioether S" 16 32.060 2
atom 635 82 Ac "Actinium Ion Ac+3" 89 227.000 0
atom 636 83 Th "Thorium Ion Th+4" 90 232.038 0
atom 637 84 Am "Americium Ion Am+3" 95 243.000 0
atom 638 85 C+ "t-Butyl Cation C+" 6 12.011 3
atom 639 13 CT "t-Butyl Cation CH3-" 6 12.011 4
atom 640 36 HC "t-Butyl Cation CH3-" 1 1.008 1
atom 641 86 La "Lanthanum Ion La+3" 57 138.906 0
atom 642 87 Nd "Neodymium Ion Nd+3" 60 144.240 0
atom 643 88 Eu "Europium Ion Eu+3" 63 151.960 0
atom 644 89 Gd "Gadolinium Ion Gd+3" 64 157.250 0
atom 645 90 Yb "Ytterbium Ion Yb+3" 70 173.040 0
atom 646 37 CM "Cl..CH3..Cl- Sn2 TS" 6 12.011 5
atom 647 30 Cl "Cl..CH3..Cl- Sn2 TS" 17 35.453 1
atom 648 36 HC "Cl..CH3..Cl- Sn2 TS" 1 1.008 1
atom 649 81 CY "Cyclopropane -CH2-" 6 12.011 4
atom 650 81 CY "Cyclopropane -CHR-" 6 12.011 4
atom 651 81 CY "Cyclopropane -CR2-" 6 12.011 4
atom 652 38 CA "Cyclopentadienyl Anion" 6 12.011 3
atom 653 39 HA "Cyclopentadienyl Anion" 1 1.008 1
atom 654 38 CA "Cyclopentadienyl Radical" 6 12.011 3
atom 655 39 HA "Cyclopentadienyl Radical" 1 1.008 1
atom 656 38 CA "Fluorobenzene CF" 6 12.011 3
atom 657 1 F "Fluorobenzene CF" 9 18.998 1
atom 658 38 CA "Hexafluorobenzene CF" 6 12.011 3
atom 659 1 F "Hexafluorobenzene CF" 9 18.998 1
atom 660 55 Br "Bromide -CH2-Br (UA)" 35 79.904 1
atom 661 2 C2 "Bromide -CH2-Br (UA)" 6 14.027 0
atom 662 38 CA "TrifluoroMeBenzene C-CF3" 6 12.011 3
atom 663 13 CT "TrifluoroMeBenzene CF3-" 6 12.011 4
atom 664 1 F "TrifluoroMeBenzene CF3-" 9 18.998 1
atom 665 38 CA "Difluorobenzene CF" 6 12.011 3
atom 666 1 F "Difluorobenzene CF" 9 18.998 1
atom 667 38 CA "Bromobenzene CBr" 6 12.011 3
atom 668 55 Br "Bromobenzene CBr" 35 79.904 1
atom 669 38 CA "Iodobenzene CI" 6 12.011 3
atom 670 56 I "Iodobenzene CI" 53 126.905 1
atom 671 81 CY "cProp/cBut Benzene C-Ar" 6 12.011 4
atom 672 15 SH "Thiophenol SH" 16 32.060 2
atom 673 38 CA "Thiophenol C-SH" 6 12.011 3
atom 674 38 CA "Benzamidine CG" 6 12.011 3
atom 675 38 CA "Benzamidine CD" 6 12.011 3
atom 676 38 CA "Benzamidine CE" 6 12.011 3
atom 677 38 CA "Benzamidine CZ" 6 12.011 3
atom 678 39 HA "Benzamidine HCD" 1 1.008 1
atom 679 39 HA "Benzamidine HCE" 1 1.008 1
atom 680 38 CA "Benzamidine C+" 6 12.011 3
atom 681 45 N2 "Benzamidine -NH2" 7 14.007 3
atom 682 34 H "Benzamidine H1-N" 1 1.008 1
atom 683 34 H "Benzamidine H2-N" 1 1.008 1
atom 684 39 HA "Benzamidine HCG" 1 1.008 1
atom 685 13 CT "Neutral MeGdn CH3-" 6 12.011 4
atom 686 13 CT "Neutral ARG CD" 6 12.011 4
atom 687 91 NY "Neutral ARG NE" 7 14.007 3
atom 688 46 NC "Neutral ARG N1 (HN=C)" 7 14.007 2
atom 689 91 NY "Neutral ARG N2 (H2N-C)" 7 14.007 3
atom 690 38 CA "Neutral ARG CZ (>C=)" 6 12.011 3
atom 691 18 NZ "Alkyl Nitrile -CN" 7 14.007 1
atom 692 19 CZ "Alkyl Nitrile -CN" 6 12.011 2
atom 693 13 CT "Acetonitrile CH3-CN" 6 12.011 4
atom 694 13 CT "Alkyl Nitrile RCH2-CN" 6 12.011 4
atom 695 13 CT "Alkyl Nitrile R2CH-CN" 6 12.011 4
atom 696 13 CT "Alkyl Nitrile R3C-CN" 6 12.011 4
atom 697 36 HC "Alkyl Nitrile H-C-CN" 1 1.008 1
atom 698 92 NO "Nitroalkane -NO2" 7 14.007 3
atom 699 93 ON "Nitroalkane -NO2" 8 15.999 1
atom 700 13 CT "Nitromethane CH3-NO2" 6 12.011 4
atom 701 36 HC "Nitroalkane H-C-NO2" 1 1.008 1
atom 702 13 CT "Nitroalkane RCH2-NO2" 6 12.011 4
atom 703 13 CT "Nitroalkane R2CH-NO2" 6 12.011 4
atom 704 13 CT "Nitroalkane R3C-NO2" 6 12.011 4
atom 705 92 NO "Nitrobenzene -NO2" 7 14.007 3
atom 706 38 CA "Nitrobenzene C-NO2" 6 12.011 3
atom 707 13 CT "Benzonitrile -CH2-" 6 12.011 0
atom 708 46 NC "Neutral Benzamidine N" 7 14.007 2
atom 709 4 O "Propylene Carbonate C=O" 8 15.999 1
atom 710 3 C "Propylene Carbonate C=O" 6 12.011 3
atom 711 29 OS "Propylene Carbonate C-O" 8 15.999 2
atom 712 13 CT "Propylene Carbonate CH2" 6 12.011 4
atom 713 13 CT "Propylene Carbonate CH" 6 12.011 4
atom 714 13 CT "Propylene Carbonate CH3" 6 12.011 4
atom 715 36 HC "Propylene Carbonate CH2" 1 1.008 1
atom 716 36 HC "Propylene Carbonate CH" 1 1.008 1
atom 717 36 HC "Propylene Carbonate CH3" 1 1.008 1
atom 718 29 OS "GTP O-(POn)2" 8 15.999 2
atom 719 94 P+ "Phosphonium R4P+" 15 30.974 4
atom 720 13 CT "Phosphonium CH3-PR3+" 6 12.011 4
atom 721 13 CT "Phosphonium RCH2-PR3+" 6 12.011 4
atom 722 36 HC "Phosphonium CH3-PR3+" 1 1.008 1
atom 723 54 P "Hexafluorophosphate Ion" 15 30.974 6
atom 724 1 F "Hexafluorophosphate Ion" 9 18.998 1
atom 725 35 N "Nitrate Ion NO3-" 7 14.007 3
atom 726 4 O "Nitrate Ion NO3-" 8 15.999 1
atom 727 20 OW "TIP4F Water O" 8 15.999 3
atom 728 21 HW "TIP4F Water H" 1 1.008 1
atom 729 22 LP "TIP4F Water M" 99 0.000 1
atom 730 33 NT "Amine RNH2" 7 14.007 3
atom 731 33 NT "Amine R2NH" 7 14.007 3
atom 732 33 NT "Amine R3N" 7 14.007 3
atom 733 13 CT "Amine CH3-NH2" 6 12.011 4
atom 734 13 CT "Amine CH3-NHR" 6 12.011 4
atom 735 13 CT "Amine CH3-NR2" 6 12.011 4
atom 736 13 CT "Amine RCH2-NH2" 6 12.011 4
atom 737 13 CT "Amine RCH2-NHR" 6 12.011 4
atom 738 13 CT "Amine RCH2-NR2" 6 12.011 4
atom 739 34 H "Amine RNH2" 1 1.008 1
atom 740 34 H "Amine R2NH" 1 1.008 1
atom 741 36 HC "Amine H-C-N" 1 1.008 1
atom 742 13 CT "Amine R2CH-NH2" 6 12.011 4
atom 743 13 CT "Amine R3C-NH2" 6 12.011 4
atom 744 13 CT "Amine R2CH-NHR" 6 12.011 4
atom 745 13 CT "Amine R2CH-NR2" 6 12.011 4
atom 746 38 CA "Aniline C-NH2" 6 12.011 3
atom 747 38 CA "N-Me Aniline C-NHR" 6 12.011 3
atom 748 38 CA "N-DiMe Aniline C-NR2" 6 12.011 3
atom 749 13 CT "Benzyl Amine -CH2NH2" 6 12.011 4
atom 750 13 CT "Benzyl Amine -CHRNH2" 6 12.011 4
atom 751 13 CT "Benzyl Amine -CR2NH2" 6 12.011 4
atom 752 13 CT "Benzyl Ether -CH2OR" 6 12.011 4
atom 753 13 CT "Benzyl Sulfide -CH2SH" 6 12.011 4
atom 754 13 CT "Benzyl Amine -CH2NHR" 6 12.011 4
atom 755 19 CZ "Alkyne HCC-" 6 12.011 2
atom 756 36 HC "Alkyne HCC-" 1 1.008 1
atom 757 19 CZ "Alkyne RCCH R w/ 2/3 H" 6 12.011 2
atom 758 19 CZ "Alkyne RCCH R w/ 1 H" 6 12.011 2
atom 759 19 CZ "Alkyne RCCH R w/ O H/Ph" 6 12.011 2
atom 760 36 HC "Alkyne H-C-CC-" 1 1.008 1
atom 761 41 CO "A & G Sugar C1'" 6 12.011 4
atom 762 41 CO "C Sugar C1'" 6 12.011 4
atom 763 41 CO "U & T Sugar C1'" 6 12.011 4
atom 764 5 OH "Sugar O5'" 8 15.999 5
atom 765 7 HO "Sugar H3' (-OH)" 1 1.008 1
atom 766 95 N* "A & G Nucleoside N9" 7 14.007 3
atom 767 95 N* "C Nucleoside N1" 7 14.007 3
atom 768 95 N* "U & T Nucleoside N1" 7 14.007 3
atom 769 19 CZ "Alkyne RCCR" 6 12.011 2
atom 770 43 N3 "Ammonium R3NH+" 7 14.007 4
atom 771 44 H3 "Ammonium R3NH+" 1 1.008 1
atom 772 13 CT "Ammonium CH3-NHR2+" 6 12.011 4
atom 773 13 CT "Ammonium RCH2-NHR2+" 6 12.011 4
atom 774 13 CT "Ammonium R2CH-NHR2+" 6 12.011 4
atom 775 13 CT "Ammonium R3C-NHR2+" 6 12.011 4
atom 776 74 CW "2-Phenyl Furan C2" 6 12.011 3
atom 777 77 CS "2-Phenyl Furan C3" 6 12.011 3
atom 778 76 C! "2-Phenyl Furan C2'" 6 12.011 3
atom 779 76 C! "2-Phenyl Furan C3'" 6 12.011 3
atom 780 36 HC "GLY Zwitterion HA" 1 1.008 1
atom 781 13 CT "GLY Zwitterion CA" 6 12.011 4
atom 782 3 C "GLY Zwitterion C" 6 12.011 3
atom 783 43 N3 "GLY Zwitterion N" 7 14.007 4
atom 784 42 O2 "GLY Zwitterion O" 8 15.999 1
atom 785 44 H3 "GLY Zwitterion HN" 1 1.008 1
atom 786 1 F "Alkyl Fluoride C-F" 9 18.998 1
atom 787 13 CT "Alkyl Fluoride RCH2-F" 6 12.011 4
atom 788 36 HC "Alkyl Fluoride H-C-F" 1 1.008 1
atom 789 13 CT "Alkyl Fluoride R2CH-F" 6 12.011 4
atom 790 13 CT "Alkyl Fluoride R3C-F" 6 12.011 4
atom 791 13 CT "Perfluoroalkane CF3-" 6 12.011 4
atom 792 13 CT "Perfluoroalkane -CF2-" 6 12.011 4
atom 793 13 CT "Perfluoroalkane >CF-" 6 12.011 4
atom 794 13 CT "Tetrafluoromethane CF4" 6 12.011 4
atom 795 1 F "Perfluoroalkane C-F" 9 18.998 1
atom 796 13 CT "DifluoroMeBenzene -CHF2" 6 12.011 4
atom 797 36 HC "DifluoroMeBenzene -CHF2" 1 1.008 1
atom 798 13 CT "Fluoroacetate FCH2-COO-" 6 12.011 4
atom 799 13 CT "Chloroacetate ClCH2-COO-" 6 12.011 4
atom 800 30 Cl "Alkyl Chloride C-Cl" 17 35.453 1
atom 801 13 CT "Alkyl Chloride RCH2-Cl" 6 12.011 4
atom 802 36 HC "Alkyl Chloride H-C-Cl" 1 1.008 1
atom 803 13 CT "Alkyl Chloride R2CH-Cl" 6 12.011 4
atom 804 13 CT "Alkyl Chloride R3C-Cl" 6 12.011 4
atom 805 55 Br "Alkyl Bromide C-Br" 35 79.904 1
atom 806 13 CT "Alkyl Bromide RCH2-Br" 6 12.011 4
atom 807 36 HC "Alkyl Bromide H-C-Br" 1 1.008 1
atom 808 13 CT "Alkyl Bromide R2CH-Br" 6 12.011 4
atom 809 13 CT "Alkyl Bromide R3C-Br" 6 12.011 4
atom 810 1 F "Acyl Fluoride F-C=O" 9 18.998 1
atom 811 30 Cl "Acyl Chloride Cl-C=O" 17 35.453 1
atom 812 55 Br "Acyl Bromide Br-C=O" 35 79.904 1
atom 813 38 CA "Trifluoroanisole C-OCF3" 6 12.011 3
atom 814 29 OS "Trifluoroanisole -OCF3" 8 15.999 2
atom 815 13 CT "Trifluoroanisole -OCF3" 6 12.011 4
atom 816 1 F "Trifluoroanisole -OCF3" 9 18.998 1
atom 817 35 N "N-Me,N-PhAcetamide N" 7 14.007 3
atom 818 38 CA "N-Me,N-PhAcetamide Cipso" 6 12.011 3
atom 819 13 CT "Benzyl Amine -CH2NR2" 6 12.011 4
atom 820 3 C "Alkyl Hydroxamic Acid C" 6 12.011 3
atom 821 3 C "Aryl Hydroxamic Acid C" 6 12.011 3
atom 822 4 O "Hydroxamic Acid C=O" 8 15.999 1
atom 823 35 N "Hydroxamic Acid N" 7 14.007 3
atom 824 34 H "Hydroxamic Acid HN" 1 1.008 1
atom 825 5 OH "Hydroxamic Acid OH" 8 15.999 2
atom 826 7 HO "Hydroxamic Acid OH" 1 1.008 1
atom 827 13 CT "Benzyl Ether -CHROR" 6 12.011 4
atom 828 13 CT "Benzyl Ether -CR2OR" 6 12.011 4
atom 829 76 C! "3-Phenyl Pyrrole C3" 6 12.011 3
atom 830 76 C! "3-Phenyl Pyrrole C3'" 6 12.011 3
atom 831 76 C! "4-Phenyl Imidazole C4" 6 12.011 3
atom 832 76 C! "4-Phenyl Imidazole C4'" 6 12.011 3
atom 833 38 CA "Diphenylmethane Cipso" 6 12.011 3
atom 834 96 Zn "Zinc Ion Zn+2" 30 0.000 0
atom 835 13 CT "Alkyl Iodide RCH2-I" 6 12.011 4
atom 836 13 CT "Alkyl Iodide R2CH-I" 6 12.011 4
atom 837 13 CT "Alkyl Iodide R3C-I" 6 12.011 4
atom 838 56 I "Alkyl Iodide C-I" 53 126.905 1
atom 839 36 HC "Alkyl Iodide H-C-I" 1 1.008 1
atom 840 35 N "N-Ph Sulfonamide -NHPh" 7 14.007 3
atom 841 38 CA "N-Ph Sulfonamide Cipso" 6 12.011 3
atom 842 38 CA "Benzoate C-COO-" 6 12.011 3
atom 843 35 N "N-Phenyl Urea N" 7 14.007 3
atom 844 38 CA "N-Phenyl Urea Cipso" 6 12.011 3
atom 845 3 C "Tertiary Amide -CO-NR2" 6 12.011 3
atom 846 4 O "Tertiary Amide -CO-NR2" 8 15.999 1
atom 847 97 NM "Tertiary Amide -CO-NR2" 7 14.007 3
atom 848 13 CT "Tertiary Amide -NRCH3" 6 12.011 4
atom 849 13 CT "Tertiary Amide -NRCH2R" 6 12.011 4
atom 850 13 CT "Tertiary Amide -NRCHR2" 6 12.011 4
atom 851 13 CT "Tertiary Amide -NRCR3" 6 12.011 4
atom 852 36 HC "Tertiary Amide H-C-N" 1 1.008 2
atom 853 3 C "Tertiary Formamide C=O" 6 12.011 3
atom 854 4 O "Tertiary Formamide C=O" 8 15.999 1
atom 855 36 HC "Tertiary Formamide H-C=O" 1 1.008 1
atom 856 13 CT "B2-Peptide CA" 6 12.011 4
atom 857 13 CT "B3-Peptide CA Main/N-Ter" 6 12.011 4
atom 858 13 CT "B3-Pep CB GLY Main/C-Ter" 6 12.011 4
atom 859 13 CT "B3-Pep CB ALA Main/C-Ter" 6 12.011 4
atom 860 13 CT "B3-Pep CB PRO Main/C-Ter" 6 12.011 4
atom 861 13 CT "B3-Peptide CA C-Ter" 6 12.011 4
atom 862 13 CT "B3-Peptide CB ALA N-Ter" 6 12.011 4
atom 863 13 CT "B3-Peptide CB GLY N-Ter" 6 12.011 4
atom 864 13 CT "B3-Peptide CB PRO N-Ter" 6 12.011 4
atom 865 13 CT "B3-Peptide CE PRO N-Ter" 6 12.011 4
atom 866 98 Si "Alkyl Silane R4Si" 14 28.086 4
atom 867 98 Si "Alkyl Silane R3SiH" 14 28.086 4
atom 868 98 Si "Alkyl Silane R2SiH2" 14 28.086 4
atom 869 98 Si "Alkyl Silane RSiH3" 14 28.086 4
atom 870 34 H "Alkyl Silane H-C-Si" 1 1.008 1
atom 871 13 CT "Methyl Silane CH3-Si" 6 12.011 4
atom 872 13 CT "Alkyl Silane RCH2-Si" 6 12.011 4
atom 873 13 CT "Alkyl Silane R2CH-Si" 6 12.011 4
atom 874 13 CT "Alkyl Silane R3C-Si" 6 12.011 4
atom 875 1 F "Fluoride Ion (GBSA)" 9 18.998 0
atom 876 30 Cl "Chloride Ion (GBSA)" 17 35.453 0
atom 877 55 Br "Bromide Ion (GBSA)" 35 79.904 0
atom 878 56 I "Iodide Ion (GBSA)" 53 126.905 0
atom 879 58 Li "Lithium Ion (GBSA)" 3 6.941 0
atom 880 59 Na "Sodium Ion (GBSA)" 11 22.990 0
atom 881 60 K "Potassium Ion (GBSA)" 19 39.098 0
atom 882 61 Rb "Rubidium Ion (GBSA)" 37 85.468 0
atom 883 62 Cs "Cesium Ion (GBSA)" 55 132.905 0
atom 884 63 Mg "Magnesium Ion (GBSA)" 12 24.305 0
atom 885 64 Ca "Calcium Ion (GBSA)" 20 40.080 0
atom 886 65 Sr "Strontium Ion (GBSA)" 38 87.620 0
atom 887 66 Ba "Barium Ion (GBSA)" 56 137.330 0
atom 888 13 CT "Ammonium CH3-NR3+" 6 12.011 4
atom 889 13 CT "Ammonium RCH2-NR3+" 6 12.011 4
atom 890 13 CT "Ammonium R2CH-NR3+" 6 12.011 4
atom 891 13 CT "Ammonium R3C-NR3+" 6 12.011 4
atom 892 36 HC "Ammonium CH3-NR3+" 1 1.008 1
atom 893 43 N3 "Anilinium Ar-NR3+" 7 14.007 4
atom 894 38 CA "Anilinium C-NR3+" 6 12.011 3
atom 895 43 N3 "Anilinium Ar-NHR2+" 7 14.007 4
atom 896 38 CA "Anilinium C-NHR2+" 6 12.011 3
atom 897 99 Ctr "Triene R2-C= (mid C=C)" 6 12.011 3
atom 898 99 Ctr "Triene RH-C= (mid C=C)" 6 12.011 3
atom 899 36 HC "Allene/Ketene H-C=C=X" 1 1.008 1
atom 900 37 CM "Allene/Ketene H2C=C=X" 6 12.011 3
atom 901 37 CM "Allene/Ketene HRC=C=X" 6 12.011 3
atom 902 37 CM "Allene/Ketene R2C=C=X" 6 12.011 3
atom 903 100 C: "Allene =C=" 6 12.011 2
atom 904 100 C: "Ketene =C=" 6 12.011 2
atom 905 4 O "Ketene C=O" 8 15.999 1
atom 906 13 CT "N-Me-HIS CB" 6 12.011 4
################################
## ##
## Van der Waals Parameters ##
## ##
################################
vdw 1 2.9400 0.0610
vdw 2 3.9050 0.1180
vdw 3 3.7500 0.1050
vdw 4 2.9600 0.2100
vdw 5 3.0000 0.1700
vdw 6 3.9100 0.1600
vdw 7 0.0000 0.0000
vdw 8 3.7300 0.2940
vdw 9 3.7750 0.2070
vdw 10 3.9050 0.1750
vdw 11 3.9100 0.1600
vdw 12 3.9600 0.1450
vdw 13 3.9050 0.1180
vdw 14 3.8500 0.1400
vdw 15 3.8500 0.0800
vdw 16 3.8000 0.1150
vdw 17 3.7500 0.1100
vdw 18 3.8000 0.0500
vdw 19 3.7500 0.1050
vdw 20 3.0700 0.1700
vdw 21 0.0000 0.0000
vdw 22 3.7750 0.2070
vdw 23 3.9050 0.1180
vdw 24 3.7000 0.2500
vdw 25 3.5500 0.2500
vdw 26 3.5500 0.2500
vdw 27 3.5500 0.2500
vdw 28 0.0000 0.0000
vdw 29 0.0000 0.0000
vdw 30 3.7750 0.2070
vdw 31 3.9050 0.1180
vdw 32 3.8000 0.1700
vdw 33 3.8000 0.1180
vdw 34 3.8000 0.1700
vdw 35 3.8000 0.1180
vdw 36 3.2000 0.1700
vdw 37 3.6500 0.1500
vdw 38 3.7750 0.2070
vdw 39 3.1200 0.1600
vdw 40 0.0000 0.0000
vdw 41 0.0000 0.0000
vdw 42 0.0000 0.0000
vdw 43 2.5560 0.0200
vdw 44 2.7800 0.0690
vdw 45 3.4010 0.2339
vdw 46 3.6240 0.3170
vdw 47 3.9350 0.4330
vdw 48 3.8500 0.0800
vdw 49 3.8000 0.0500
vdw 50 3.0000 0.1700
vdw 51 3.8000 0.1700
vdw 52 3.8000 0.1180
vdw 53 3.15061 0.1521
vdw 54 0.0000 0.0000
vdw 55 3.15365 0.1550
vdw 56 0.0000 0.0000
vdw 57 0.0000 0.0000
vdw 58 3.1760 0.1500
vdw 59 0.0000 0.0000
vdw 60 3.8000 0.1180
vdw 61 3.4000 0.3000
vdw 62 3.8000 0.0800
vdw 63 3.4700 0.3000
vdw 64 3.8000 0.0500
vdw 65 3.4700 0.2660
vdw 66 3.5600 0.3950
vdw 67 2.9300 0.2800
vdw 68 3.8100 0.1600
vdw 69 3.4200 0.1700
vdw 70 0.0000 0.0000
vdw 71 2.9600 0.2100
vdw 72 3.2500 0.1700
vdw 73 3.8000 0.1150
vdw 74 3.8000 0.1700
vdw 75 3.16557 0.1554
vdw 76 0.0000 0.0000
vdw 77 3.5000 0.0660
vdw 78 3.5000 0.0660
vdw 79 3.5000 0.0660
vdw 80 3.5000 0.0660
vdw 81 3.5000 0.0660
vdw 82 2.5000 0.0300
vdw 83 3.5500 0.0760
vdw 84 3.5500 0.0760
vdw 85 3.5500 0.0760
vdw 86 2.4200 0.0300
vdw 87 3.5500 0.0700
vdw 88 2.4200 0.0300
vdw 89 3.5500 0.0700
vdw 90 3.5000 0.0660
vdw 91 3.5000 0.0660
vdw 92 3.5500 0.0760
vdw 93 3.1200 0.1700
vdw 94 0.0000 0.0000
vdw 95 2.5000 0.0300
vdw 96 3.5000 0.0660
vdw 97 3.5000 0.0660
vdw 98 3.5000 0.0660
vdw 99 3.5000 0.0660
vdw 100 3.2500 0.0620
vdw 101 3.0700 0.1700
vdw 102 0.0000 0.0000
vdw 103 2.9400 0.0610
vdw 104 2.5000 0.0300
vdw 105 3.5500 0.0700
vdw 106 3.0700 0.1700
vdw 107 0.0000 0.0000
vdw 108 3.0700 0.1700
vdw 109 0.0000 0.0000
vdw 110 3.0700 0.1700
vdw 111 0.0000 0.0000
vdw 112 3.5000 0.0660
vdw 113 3.5000 0.0660
vdw 114 3.5000 0.0660
vdw 115 2.5000 0.0300
vdw 116 2.9000 0.1400
vdw 117 3.5500 0.0760
vdw 118 2.9000 0.1400
vdw 119 2.9000 0.1400
vdw 120 3.5000 0.0660
vdw 121 3.5000 0.0660
vdw 122 3.5000 0.0660
vdw 123 3.5000 0.0660
vdw 124 2.5000 0.0300
vdw 125 2.9000 0.1400
vdw 126 3.0700 0.1700
vdw 127 0.0000 0.0000
vdw 128 3.5000 0.0660
vdw 129 2.5000 0.0300
vdw 130 3.5000 0.0660
vdw 131 2.5000 0.0300
vdw 132 3.5000 0.0660
vdw 133 2.5000 0.0300
vdw 134 3.5000 0.0660
vdw 135 2.5000 0.0300
vdw 136 3.5000 0.0660
vdw 137 3.5000 0.0660
vdw 138 3.5500 0.0700
vdw 139 3.5500 0.2500
vdw 140 3.7000 0.2500
vdw 141 3.5500 0.2500
vdw 142 3.5500 0.2500
vdw 143 0.0000 0.0000
vdw 144 0.0000 0.0000
vdw 145 3.5000 0.0660
vdw 146 3.5000 0.0660
vdw 147 3.5000 0.0660
vdw 148 3.5000 0.0660
vdw 149 3.5000 0.0660
vdw 150 3.5000 0.0660
vdw 151 3.5000 0.0660
vdw 152 3.5000 0.0660
vdw 153 3.5000 0.0660
vdw 154 3.5000 0.0660
vdw 155 3.5000 0.0660
vdw 156 3.5000 0.0660
vdw 157 3.5000 0.0660
vdw 158 3.5000 0.0660
vdw 159 3.5000 0.0660
vdw 160 3.5500 0.0700
vdw 161 3.5500 0.2500
vdw 162 3.5000 0.0660
vdw 163 3.5000 0.0660
vdw 164 3.5000 0.0660
vdw 165 3.4000 0.3000
vdw 166 3.5500 0.0760
vdw 167 3.5500 0.0700
vdw 168 3.5000 0.0660
vdw 169 3.5000 0.0660
vdw 170 3.7500 0.1050
vdw 171 3.7500 0.1050
vdw 172 3.7500 0.1050
vdw 173 3.7500 0.1050
vdw 174 3.7500 0.1050
vdw 175 2.9600 0.2100
vdw 176 3.2500 0.1700
vdw 177 3.2500 0.1700
vdw 178 3.2500 0.1700
vdw 179 0.0000 0.0000
vdw 180 0.0000 0.0000
vdw 181 3.5000 0.0660
vdw 182 3.5000 0.0660
vdw 183 3.5000 0.0660
vdw 184 3.5000 0.0660
vdw 185 3.5000 0.0660
vdw 186 3.7500 0.1050
vdw 187 2.9600 0.2100
vdw 188 3.2500 0.1700
vdw 189 0.0000 0.0000
vdw 190 3.2500 0.1700
vdw 191 3.7500 0.1050
vdw 192 2.9600 0.2100
vdw 193 0.0000 0.0000
vdw 194 2.5000 0.0200
vdw 195 3.5000 0.0660
vdw 196 3.5000 0.0660
vdw 197 3.5000 0.0660
vdw 198 3.5000 0.0660
vdw 199 3.5500 0.0700
vdw 200 3.6500 0.1500
vdw 201 3.2000 0.1700
vdw 202 3.5500 0.0700
vdw 203 3.4000 0.3000
vdw 204 3.2500 0.1700
vdw 205 3.5500 0.0700
vdw 206 3.7500 0.1050
vdw 207 3.0000 0.1700
vdw 208 2.9600 0.2100
vdw 209 0.0000 0.0000
vdw 210 3.7500 0.1050
vdw 211 2.9600 0.2100
vdw 212 3.5000 0.0660
vdw 213 3.5000 0.0660
vdw 214 3.5000 0.0660
vdw 215 3.5000 0.0660
vdw 216 3.7500 0.1050
vdw 217 2.9600 0.2100
vdw 218 2.4200 0.0150
vdw 219 3.7500 0.1050
vdw 220 2.9600 0.2100
vdw 221 2.4200 0.0150
vdw 222 3.5000 0.0660
vdw 223 3.5000 0.0660
vdw 224 3.5000 0.0660
vdw 225 3.5000 0.0660
vdw 226 3.2500 0.1700
vdw 227 3.2500 0.1700
vdw 228 3.2500 0.1700
vdw 229 0.0000 0.0000
vdw 230 0.0000 0.0000
vdw 231 3.5000 0.0660
vdw 232 3.5000 0.0660
vdw 233 3.5000 0.0660
vdw 234 3.5000 0.0660
vdw 235 3.5000 0.0660
vdw 236 3.5000 0.0660
vdw 237 3.5000 0.0660
vdw 238 3.5000 0.0660
vdw 239 3.5000 0.0660
vdw 240 3.2500 0.1700
vdw 241 0.0000 0.0000
vdw 242 3.5500 0.0500
vdw 243 3.2500 0.1700
vdw 244 0.0000 0.0000
vdw 245 3.5000 0.0660
vdw 246 3.5000 0.0660
vdw 247 3.5000 0.0660
vdw 248 3.5000 0.0660
vdw 249 3.2500 0.1700
vdw 250 0.0000 0.0000
vdw 251 3.2500 0.1700
vdw 252 3.5000 0.0800
vdw 253 3.2500 0.1700
vdw 254 0.0000 0.0000
vdw 255 3.5000 0.0800
vdw 256 2.5000 0.0500
vdw 257 3.5000 0.0800
vdw 258 2.5000 0.0500
vdw 259 3.2500 0.1700
vdw 260 3.7500 0.1050
vdw 261 3.2500 0.1700
vdw 262 3.7500 0.1050
vdw 263 3.5000 0.0800
vdw 264 3.5000 0.0800
vdw 265 0.0000 0.0000
vdw 266 2.9600 0.2100
vdw 267 0.0000 0.0000
vdw 268 2.9600 0.2100
vdw 269 2.5000 0.0500
vdw 270 2.5000 0.0500
vdw 271 3.5000 0.0800
vdw 272 2.5000 0.0500
vdw 273 3.2500 0.1700
vdw 274 3.7500 0.1050
vdw 275 3.2500 0.1700
vdw 276 3.5000 0.0800
vdw 277 3.5000 0.0800
vdw 278 3.5000 0.0800
vdw 279 0.0000 0.0000
vdw 280 2.9600 0.2100
vdw 281 3.2500 0.1700
vdw 282 0.0000 0.0000
vdw 283 0.0000 0.0000
vdw 284 2.5000 0.0500
vdw 285 2.5000 0.0500
vdw 286 3.2500 0.1700
vdw 287 3.5000 0.0800
vdw 288 3.2500 0.1700
vdw 289 3.5000 0.0800
vdw 290 3.5000 0.0800
vdw 291 3.5000 0.0800
vdw 292 3.2500 0.1700
vdw 293 3.5000 0.0800
vdw 294 3.2500 0.1700
vdw 295 2.5000 0.0500
vdw 296 3.2500 0.1700
vdw 297 0.0000 0.0000
vdw 298 0.0000 0.0000
vdw 299 2.5000 0.0500
vdw 300 0.0000 0.0000
vdw 301 3.2500 0.1700
vdw 302 3.5000 0.0800
vdw 303 3.2500 0.1700
vdw 304 3.5000 0.0800
vdw 305 3.5000 0.0800
vdw 306 3.7500 0.1050
vdw 307 0.0000 0.0000
vdw 308 3.2500 0.1700
vdw 309 0.0000 0.0000
vdw 310 2.9600 0.2100
vdw 311 3.5000 0.0800
vdw 312 2.5000 0.0500
vdw 313 3.5000 0.0800
vdw 314 2.5000 0.0500
vdw 315 3.5000 0.0800
vdw 316 2.5000 0.0500
vdw 317 3.2500 0.1700
vdw 318 3.7500 0.1050
vdw 319 3.2500 0.1700
vdw 320 3.5000 0.0800
vdw 321 3.5000 0.0800
vdw 322 3.5000 0.0800
vdw 323 0.0000 0.0000
vdw 324 2.9600 0.2100
vdw 325 0.0000 0.0000
vdw 326 3.2500 0.1700
vdw 327 0.0000 0.0000
vdw 328 0.0000 0.0000
vdw 329 2.5000 0.0500
vdw 330 2.5000 0.0500
vdw 331 3.5000 0.0800
vdw 332 2.5000 0.0500
vdw 333 3.7400 0.2000
vdw 334 2.9600 0.2100
vdw 335 3.0000 0.1700
vdw 336 3.5500 0.0660
vdw 337 3.5000 0.0800
vdw 338 3.4000 0.3000
vdw 339 3.5500 0.0760
vdw 340 3.0500 0.7100
vdw 341 4.0200 0.7100
vdw 342 4.2800 0.7100
vdw 343 4.8100 0.7100
vdw 344 5.3400 0.0005
vdw 345 2.8700 0.0005
vdw 346 4.0700 0.0005
vdw 347 5.1700 0.0005
vdw 348 5.6000 0.0005
vdw 349 6.2000 0.0005
vdw 350 1.644471 0.875044
vdw 351 2.412031 0.449657
vdw 352 3.102688 0.118226
vdw 353 3.816610 0.047096
vdw 354 4.2000 0.3000
vdw 355 2.5000 0.0500
vdw 356 4.2500 0.5000
vdw 357 4.2000 0.3000
vdw 358 2.5000 0.0500
vdw 359 3.1500 0.2500
vdw 360 4.2000 0.3000
vdw 361 2.5000 0.0500
vdw 362 3.6500 0.1500
vdw 363 3.4000 0.2500
vdw 364 4.2000 0.3000
vdw 365 2.5000 0.0500
vdw 366 3.4000 0.2500
vdw 367 2.5000 0.0500
vdw 368 4.2000 0.3000
vdw 369 2.5000 0.0500
vdw 370 4.2000 0.3000
vdw 371 2.5000 0.0500
vdw 372 0.0000 0.0000
vdw 373 3.2000 0.2500
vdw 374 0.0000 0.0000
vdw 375 2.81524 0.4000
vdw 376 3.11815 0.2000
vdw 377 2.9000 0.1400
vdw 378 3.7400 0.2000
vdw 379 3.1500 0.2000
vdw 380 2.9000 0.1400
vdw 381 3.5000 0.0660
vdw 382 2.5000 0.0300
vdw 383 3.7400 0.2000
vdw 384 3.1500 0.2000
vdw 385 2.9000 0.1400
vdw 386 3.5000 0.0660
vdw 387 2.5000 0.0300
vdw 388 3.7400 0.2000
vdw 389 3.1500 0.2000
vdw 390 2.9000 0.1400
vdw 391 3.5000 0.0660
vdw 392 2.5000 0.0300
vdw 393 3.5000 0.0660
vdw 394 2.5000 0.0300
vdw 395 3.5500 0.0700
vdw 396 3.5000 0.0660
vdw 397 2.5000 0.0300
vdw 398 3.5500 0.0700
vdw 399 3.5000 0.0660
vdw 400 2.5000 0.0300
vdw 401 3.5500 0.0700
vdw 402 3.5000 0.0660
vdw 403 3.7500 0.1050
vdw 404 2.9600 0.2100
vdw 405 3.0000 0.1700
vdw 406 3.5000 0.0660
vdw 407 2.4200 0.0150
vdw 408 3.7500 0.1050
vdw 409 3.7500 0.1050
vdw 410 3.5500 0.0700
vdw 411 3.0000 0.1700
vdw 412 3.5500 0.2500
vdw 413 2.9600 0.1700
vdw 414 3.5000 0.0660
vdw 415 2.5000 0.0300
vdw 416 3.2500 0.1700
vdw 417 0.0000 0.0000
vdw 418 3.2500 0.1700
vdw 419 0.0000 0.0000
vdw 420 3.5000 0.0660
vdw 421 2.5000 0.0300
vdw 422 3.5000 0.0660
vdw 423 2.5000 0.0300
vdw 424 3.5000 0.0660
vdw 425 2.5000 0.0300
vdw 426 3.5500 0.0700
vdw 427 3.5500 0.0700
vdw 428 3.5000 0.0660
vdw 429 3.5000 0.0660
vdw 430 3.5000 0.0660
vdw 431 3.5500 0.2500
vdw 432 2.9600 0.1700
vdw 433 3.5600 0.3950
vdw 434 3.5600 0.3950
vdw 435 2.9300 0.2800
vdw 436 3.5000 0.0660
vdw 437 3.5000 0.0660
vdw 438 3.5500 0.0700
vdw 439 3.5500 0.0700
vdw 440 3.5500 0.0700
vdw 441 3.2500 0.1700
vdw 442 0.0000 0.0000
vdw 443 3.5000 0.0660
vdw 444 3.5500 0.0700
vdw 445 3.5500 0.0700
vdw 446 3.5500 0.0700
vdw 447 3.5500 0.0700
vdw 448 3.5500 0.0700
vdw 449 3.2500 0.1700
vdw 450 3.2500 0.1700
vdw 451 0.0000 0.0000
vdw 452 3.5500 0.0700
vdw 453 3.5000 0.0660
vdw 454 3.5000 0.0660
vdw 455 3.5500 0.0760
vdw 456 3.5500 0.0760
vdw 457 3.5500 0.0700
vdw 458 3.2500 0.1700
vdw 459 3.5500 0.0700
vdw 460 3.5500 0.0700
vdw 461 3.5500 0.0700
vdw 462 2.4200 0.0300
vdw 463 2.4200 0.0300
vdw 464 2.4200 0.0300
vdw 465 3.2500 0.1700
vdw 466 3.5500 0.0700
vdw 467 2.4200 0.0300
vdw 468 3.2500 0.1700
vdw 469 3.5500 0.0700
vdw 470 3.5500 0.0700
vdw 471 3.5500 0.0700
vdw 472 2.4200 0.0300
vdw 473 2.4200 0.0300
vdw 474 2.4200 0.0300
vdw 475 3.2500 0.1700
vdw 476 3.5500 0.0700
vdw 477 3.5500 0.0700
vdw 478 2.4200 0.0300
vdw 479 2.4200 0.0300
vdw 480 3.2500 0.1700
vdw 481 3.5500 0.0700
vdw 482 3.5500 0.0700
vdw 483 0.0000 0.0000
vdw 484 2.4200 0.0300
vdw 485 2.4200 0.0300
vdw 486 3.2500 0.1700
vdw 487 3.2500 0.1700
vdw 488 3.5500 0.0700
vdw 489 3.5500 0.0700
vdw 490 3.5500 0.0700
vdw 491 0.0000 0.0000
vdw 492 2.4200 0.0300
vdw 493 2.4200 0.0300
vdw 494 2.4200 0.0300
vdw 495 3.2500 0.1700
vdw 496 3.5500 0.0700
vdw 497 3.2500 0.1700
vdw 498 3.5500 0.0700
vdw 499 3.5500 0.0700
vdw 500 0.0000 0.0000
vdw 501 2.4200 0.0300
vdw 502 2.4200 0.0300
vdw 503 2.4200 0.0300
vdw 504 2.9000 0.1400
vdw 505 3.5500 0.0700
vdw 506 3.5500 0.0760
vdw 507 2.4200 0.0300
vdw 508 2.4200 0.0300
vdw 509 2.9000 0.1400
vdw 510 3.5500 0.0700
vdw 511 3.2500 0.1700
vdw 512 3.5500 0.0700
vdw 513 3.5500 0.0700
vdw 514 2.4200 0.0300
vdw 515 2.4200 0.0300
vdw 516 2.4200 0.0300
vdw 517 2.9000 0.1400
vdw 518 3.2500 0.1700
vdw 519 3.5500 0.0700
vdw 520 3.5500 0.0700
vdw 521 3.5500 0.0700
vdw 522 2.4200 0.0300
vdw 523 2.4200 0.0300
vdw 524 2.4200 0.0300
vdw 525 3.2500 0.1700
vdw 526 3.5500 0.0700
vdw 527 3.5500 0.0700
vdw 528 3.5500 0.0700
vdw 529 3.5500 0.0700
vdw 530 3.5500 0.0700
vdw 531 3.5500 0.0700
vdw 532 3.5500 0.0700
vdw 533 3.5500 0.0700
vdw 534 0.0000 0.0000
vdw 535 2.4200 0.0300
vdw 536 2.4200 0.0300
vdw 537 2.4200 0.0300
vdw 538 2.4200 0.0300
vdw 539 2.4200 0.0300
vdw 540 2.4200 0.0300
vdw 541 3.2500 0.1700
vdw 542 3.5500 0.0700
vdw 543 3.5500 0.0700
vdw 544 3.5500 0.0700
vdw 545 3.5500 0.0700
vdw 546 3.5500 0.0700
vdw 547 3.5500 0.0700
vdw 548 3.5500 0.0700
vdw 549 3.5500 0.0700
vdw 550 3.5500 0.0700
vdw 551 2.4200 0.0300
vdw 552 2.4200 0.0300
vdw 553 2.4200 0.0300
vdw 554 2.4200 0.0300
vdw 555 2.4200 0.0300
vdw 556 2.4200 0.0300
vdw 557 2.4200 0.0300
vdw 558 3.2500 0.1700
vdw 559 3.5500 0.0700
vdw 560 3.2500 0.1700
vdw 561 3.5500 0.0700
vdw 562 3.5500 0.0700
vdw 563 3.5500 0.0700
vdw 564 3.2500 0.1700
vdw 565 3.5500 0.0700
vdw 566 3.2500 0.1700
vdw 567 2.4200 0.0300
vdw 568 2.4200 0.0300
vdw 569 2.4200 0.0300
vdw 570 0.0000 0.0000
vdw 571 3.5500 0.2500
vdw 572 3.5500 0.0700
vdw 573 3.2500 0.1700
vdw 574 3.5500 0.0700
vdw 575 3.5500 0.0700
vdw 576 2.4200 0.0300
vdw 577 2.4200 0.0300
vdw 578 2.4200 0.0300
vdw 579 3.2500 0.1700
vdw 580 3.5500 0.0700
vdw 581 2.4200 0.0300
vdw 582 3.5500 0.0700
vdw 583 3.5000 0.0660
vdw 584 3.2500 0.1700
vdw 585 3.5500 0.0700
vdw 586 3.5500 0.0700
vdw 587 3.5500 0.0700
vdw 588 3.5500 0.0700
vdw 589 3.5500 0.0700
vdw 590 3.5500 0.0700
vdw 591 2.4200 0.0300
vdw 592 2.4200 0.0300
vdw 593 2.4200 0.0300
vdw 594 2.4200 0.0300
vdw 595 3.2500 0.1700
vdw 596 3.5500 0.0700
vdw 597 3.2500 0.1700
vdw 598 3.5500 0.0700
vdw 599 3.5500 0.0700
vdw 600 3.5000 0.0660
vdw 601 2.4200 0.0300
vdw 602 2.4200 0.0300
vdw 603 2.4200 0.0300
vdw 604 2.5000 0.0300
vdw 605 3.5000 0.0660
vdw 606 3.5000 0.0660
vdw 607 3.5000 0.0660
vdw 608 3.5000 0.0660
vdw 609 3.5000 0.0660
vdw 610 3.5000 0.0660
vdw 611 3.5000 0.0660
vdw 612 3.5000 0.0660
vdw 613 3.5000 0.0660
vdw 614 3.5000 0.0660
vdw 615 3.5000 0.0660
vdw 616 3.5000 0.0660
vdw 617 3.5000 0.0660
vdw 618 3.5000 0.0660
vdw 619 3.5000 0.0660
vdw 620 3.5500 0.2500
vdw 621 0.0000 0.0000
vdw 622 3.5500 0.0700
vdw 623 3.7500 0.1050
vdw 624 3.2500 0.1700
vdw 625 3.5000 0.0660
vdw 626 3.5000 0.0660
vdw 627 3.5000 0.0660
vdw 628 3.5500 0.0700
vdw 629 3.5500 0.0700
vdw 630 3.5500 0.0700
vdw 631 3.5500 0.0700
vdw 632 3.5500 0.0700
vdw 633 3.5500 0.0700
vdw 634 3.5500 0.2500
vdw 635 3.4730 0.0540
vdw 636 3.3000 0.0500
vdw 637 3.3000 0.0500
vdw 638 3.5500 0.0760
vdw 639 3.5000 0.0660
vdw 640 2.5000 0.0300
vdw 641 3.7500 0.0600
vdw 642 3.4730 0.0540
vdw 643 3.3000 0.0500
vdw 644 3.3000 0.0500
vdw 645 2.9500 0.0400
vdw 646 3.5500 0.0760
vdw 647 3.4000 0.3000
vdw 648 2.4200 0.0300
vdw 649 3.5000 0.0660
vdw 650 3.5000 0.0660
vdw 651 3.5000 0.0660
vdw 652 3.5500 0.0700
vdw 653 2.4200 0.0300
vdw 654 3.5500 0.0700
vdw 655 2.4200 0.0300
vdw 656 3.5500 0.0700
vdw 657 2.8500 0.0610
vdw 658 3.5500 0.0700
vdw 659 2.8500 0.0610
vdw 660 3.4700 0.4700
vdw 661 3.9050 0.1180
vdw 662 3.5500 0.0700
vdw 663 3.2500 0.0620
vdw 664 2.9400 0.0610
vdw 665 3.5500 0.0700
vdw 666 2.8500 0.0610
vdw 667 3.5500 0.0700
vdw 668 3.4700 0.4700
vdw 669 3.5500 0.0700
vdw 670 3.7500 0.6000
vdw 671 3.5000 0.0660
vdw 672 3.5500 0.2500
vdw 673 3.5500 0.0700
vdw 674 3.5500 0.0700
vdw 675 3.5500 0.0700
vdw 676 3.5500 0.0700
vdw 677 3.5500 0.0700
vdw 678 2.4200 0.0300
vdw 679 2.4200 0.0300
vdw 680 3.5500 0.0500
vdw 681 3.2500 0.1700
vdw 682 0.0000 0.0000
vdw 683 0.0000 0.0000
vdw 684 2.4200 0.0300
vdw 685 3.5000 0.0660
vdw 686 3.5000 0.0660
vdw 687 3.2500 0.1700
vdw 688 3.2500 0.1700
vdw 689 3.2500 0.1700
vdw 690 3.5500 0.0500
vdw 691 3.2000 0.1700
vdw 692 3.3000 0.0660
vdw 693 3.3000 0.0660
vdw 694 3.3000 0.0660
vdw 695 3.3000 0.0660
vdw 696 3.3000 0.0660
vdw 697 2.5000 0.0150
vdw 698 3.2500 0.1200
vdw 699 2.9600 0.1700
vdw 700 3.5000 0.0660
vdw 701 2.5000 0.0150
vdw 702 3.5000 0.0660
vdw 703 3.5000 0.0660
vdw 704 3.5000 0.0660
vdw 705 3.2500 0.1200
vdw 706 3.5500 0.0700
vdw 707 3.3000 0.0660
vdw 708 3.2500 0.1700
vdw 709 2.9600 0.2100
vdw 710 3.7500 0.1050
vdw 711 3.0000 0.1700
vdw 712 3.5000 0.0660
vdw 713 3.5000 0.0660
vdw 714 3.5000 0.0660
vdw 715 2.4200 0.0150
vdw 716 2.4200 0.0150
vdw 717 2.4200 0.0150
vdw 718 2.9000 0.1400
vdw 719 3.7400 0.2000
vdw 720 3.5000 0.0660
vdw 721 3.5000 0.0660
vdw 722 2.5000 0.0300
vdw 723 3.7400 0.2000
vdw 724 3.1181 0.0610
vdw 725 3.1500 0.1700
vdw 726 2.8600 0.2100
vdw 727 3.2700 0.1000
vdw 728 0.0000 0.0000
vdw 729 0.0000 0.0000
vdw 730 3.3000 0.1700
vdw 731 3.3000 0.1700
vdw 732 3.3000 0.1700
vdw 733 3.5000 0.0660
vdw 734 3.5000 0.0660
vdw 735 3.5000 0.0660
vdw 736 3.5000 0.0660
vdw 737 3.5000 0.0660
vdw 738 3.5000 0.0660
vdw 739 0.0000 0.0000
vdw 740 0.0000 0.0000
vdw 741 2.5000 0.0150
vdw 742 3.5000 0.0660
vdw 743 3.5000 0.0660
vdw 744 3.5000 0.0660
vdw 745 3.5000 0.0660
vdw 746 3.5500 0.0700
vdw 747 3.5500 0.0700
vdw 748 3.5500 0.0700
vdw 749 3.5000 0.0660
vdw 750 3.5000 0.0660
vdw 751 3.5000 0.0660
vdw 752 3.5000 0.0660
vdw 753 3.5000 0.0660
vdw 754 3.5000 0.0660
vdw 755 3.3000 0.0860
vdw 756 2.4200 0.0150
vdw 757 3.3000 0.2100
vdw 758 3.3000 0.1350
vdw 759 3.3000 0.1000
vdw 760 2.5000 0.0150
vdw 761 3.5000 0.0660
vdw 762 3.5000 0.0660
vdw 763 3.5000 0.0660
vdw 764 3.1200 0.1700
vdw 765 0.0000 0.0000
vdw 766 3.2500 0.1700
vdw 767 3.2500 0.1700
vdw 768 3.2500 0.1700
vdw 769 3.3000 0.2100
vdw 770 3.2500 0.1700
vdw 771 0.0000 0.0000
vdw 772 3.5000 0.0660
vdw 773 3.5000 0.0660
vdw 774 3.5000 0.0660
vdw 775 3.5000 0.0660
vdw 776 3.5500 0.0700
vdw 777 3.5500 0.0760
vdw 778 3.5500 0.0700
vdw 779 3.5500 0.0700
vdw 780 2.5000 0.0300
vdw 781 3.5000 0.0660
vdw 782 3.7500 0.1050
vdw 783 3.2500 0.1700
vdw 784 2.9600 0.2100
vdw 785 0.0000 0.0000
vdw 786 2.9400 0.0610
vdw 787 3.5000 0.0660
vdw 788 2.5000 0.0300
vdw 789 3.5000 0.0660
vdw 790 3.5000 0.0660
vdw 791 3.5000 0.0660
vdw 792 3.5000 0.0660
vdw 793 3.5000 0.0660
vdw 794 3.5000 0.0970
vdw 795 2.9500 0.0530
vdw 796 3.2500 0.0620
vdw 797 2.5000 0.0300
vdw 798 3.5000 0.0660
vdw 799 3.5000 0.0660
vdw 800 3.4000 0.3000
vdw 801 3.5000 0.0660
vdw 802 2.5000 0.0300
vdw 803 3.5000 0.0660
vdw 804 3.5000 0.0660
vdw 805 3.4700 0.4700
vdw 806 3.5000 0.0660
vdw 807 2.5000 0.0300
vdw 808 3.5000 0.0660
vdw 809 3.5000 0.0660
vdw 810 2.9400 0.0610
vdw 811 3.4000 0.3000
vdw 812 3.4700 0.4700
vdw 813 3.5500 0.0700
vdw 814 2.9000 0.1400
vdw 815 3.5000 0.0660
vdw 816 2.9000 0.0600
vdw 817 3.2500 0.1700
vdw 818 3.5500 0.0700
vdw 819 3.5000 0.0660
vdw 820 3.7500 0.1050
vdw 821 3.7500 0.1050
vdw 822 2.9600 0.2100
vdw 823 3.2500 0.1700
vdw 824 0.0000 0.0000
vdw 825 3.1200 0.1700
vdw 826 0.0000 0.0000
vdw 827 3.5000 0.0660
vdw 828 3.5000 0.0660
vdw 829 3.5500 0.0700
vdw 830 3.5500 0.0700
vdw 831 3.5500 0.0700
vdw 832 3.5500 0.0700
vdw 833 3.5500 0.0700
vdw 834 1.9600 0.0125
vdw 835 3.5000 0.0660
vdw 836 3.5000 0.0660
vdw 837 3.5000 0.0660
vdw 838 3.7500 0.6000
vdw 839 2.5000 0.0300
vdw 840 3.2500 0.1700
vdw 841 3.5500 0.0700
vdw 842 3.5500 0.0700
vdw 843 3.2500 0.1700
vdw 844 3.5500 0.0700
vdw 845 3.7500 0.1050
vdw 846 2.9600 0.2100
vdw 847 3.2500 0.1700
vdw 848 3.5000 0.0660
vdw 849 3.5000 0.0660
vdw 850 3.5000 0.0660
vdw 851 3.5000 0.0660
vdw 852 2.4200 0.0150
vdw 853 3.7500 0.1050
vdw 854 2.9600 0.2100
vdw 855 2.4200 0.0150
vdw 856 3.5000 0.0660
vdw 857 3.5000 0.0660
vdw 858 3.5000 0.0660
vdw 859 3.5000 0.0660
vdw 860 3.5000 0.0660
vdw 861 3.5000 0.0660
vdw 862 3.5000 0.0660
vdw 863 3.5000 0.0660
vdw 864 3.5000 0.0660
vdw 865 3.5000 0.0660
vdw 866 4.0000 0.1000
vdw 867 4.0000 0.1000
vdw 868 4.0000 0.1000
vdw 869 4.0000 0.1000
vdw 870 2.5000 0.0300
vdw 871 3.5000 0.0660
vdw 872 3.5000 0.0660
vdw 873 3.5000 0.0660
vdw 874 3.5000 0.0660
vdw 875 3.0800 0.7200
vdw 876 4.1800 0.11779
vdw 877 4.5100 0.0900
vdw 878 5.1500 0.0700
vdw 879 2.7000 0.018279
vdw 880 3.3500 0.002772
vdw 881 4.0600 0.000328
vdw 882 4.3200 0.000171
vdw 883 4.8200 0.000081
vdw 884 2.9100 0.875044
vdw 885 3.4700 0.449657
vdw 886 3.8200 0.118226
vdw 887 4.1800 0.047096
vdw 888 3.5000 0.0660
vdw 889 3.5000 0.0660
vdw 890 3.5000 0.0660
vdw 891 3.5000 0.0660
vdw 892 2.5000 0.0300
vdw 893 3.2500 0.1700
vdw 894 3.5500 0.0700
vdw 895 3.2500 0.1700
vdw 896 3.5500 0.0700
vdw 897 3.5500 0.0760
vdw 898 3.5500 0.0760
vdw 899 2.4200 0.0300
vdw 900 3.3000 0.0860
vdw 901 3.3000 0.0860
vdw 902 3.3000 0.0860
vdw 903 3.3000 0.0860
vdw 904 3.3000 0.0860
vdw 905 2.9600 0.2100
vdw 906 3.5000 0.0660
##################################
## ##
## Bond Stretching Parameters ##
## ##
##################################
bond 1 2 367.00 1.3800
bond 1 3 420.00 1.3570
bond 1 13 367.00 1.3600
bond 1 19 450.00 1.2790
bond 1 23 300.00 0.3000
bond 1 37 420.00 1.3400
bond 1 38 420.00 1.3540
bond 1 72 420.00 1.3540
bond 1 73 420.00 1.3540
bond 1 74 420.00 1.3540
bond 1 77 420.00 1.3540
bond 1 78 420.00 1.3540
bond 1 98 461.00 1.5700
bond 2 2 260.00 1.5260
bond 2 3 317.00 1.5220
bond 2 5 386.00 1.4250
bond 2 6 260.00 1.5260
bond 2 10 260.00 1.5260
bond 2 11 317.00 1.5000
bond 2 12 317.00 1.5100
bond 2 13 260.00 1.5260
bond 2 14 317.00 1.5000
bond 2 15 222.00 1.8100
bond 2 16 222.00 1.8100
bond 2 29 320.00 1.4250
bond 2 33 382.00 1.4480
bond 2 35 337.00 1.4490
bond 2 38 317.00 1.5100
bond 2 41 260.00 1.5260
bond 2 43 367.00 1.4710
bond 2 45 337.00 1.4630
bond 2 70 317.00 1.4950
bond 3 3 350.00 1.5100
bond 3 4 570.00 1.2290
bond 3 5 450.00 1.3640
bond 3 6 317.00 1.5220
bond 3 10 317.00 1.5220
bond 3 12 469.00 1.4000
bond 3 13 317.00 1.5220
bond 3 19 400.00 1.4440
bond 3 29 214.00 1.3270
bond 3 30 300.00 1.7900
bond 3 33 317.00 1.5220
bond 3 35 490.00 1.3350
bond 3 36 340.00 1.0900
bond 3 37 410.00 1.4440
bond 3 38 400.00 1.4900
bond 3 40 385.00 1.4600
bond 3 42 656.00 1.2500
bond 3 46 457.00 1.3580
bond 3 47 418.00 1.3880
bond 3 50 447.00 1.4190
bond 3 55 300.00 1.9800
bond 3 74 400.00 1.4900
bond 3 76 385.00 1.4600
bond 3 95 424.00 1.3830
bond 3 97 490.00 1.3350
bond 4 23 553.00 0.3000
bond 4 54 525.00 1.4800
bond 4 79 570.00 1.2290
bond 4 100 700.00 1.1710
bond 5 6 386.00 1.4250
bond 5 7 553.00 0.9450
bond 5 10 386.00 1.4250
bond 5 13 320.00 1.4100
bond 5 23 340.00 0.3000
bond 5 29 250.00 1.4700
bond 5 33 320.00 1.4500
bond 5 35 400.00 1.3800
bond 5 37 450.00 1.3700
bond 5 38 450.00 1.3640
bond 5 41 320.00 1.3800
bond 5 54 230.00 1.6100
bond 5 69 450.00 1.6700
bond 5 96 94.00 1.8000
bond 5 98 374.00 1.6400
bond 6 6 260.00 1.5260
bond 6 10 260.00 1.5260
bond 6 11 317.00 1.5000
bond 6 13 260.00 1.5260
bond 6 14 317.00 1.5000
bond 6 15 222.00 1.8100
bond 6 16 222.00 1.8100
bond 6 29 320.00 1.4250
bond 6 33 382.00 1.4480
bond 6 35 337.00 1.4490
bond 6 37 317.00 1.5100
bond 6 41 260.00 1.5260
bond 6 43 367.00 1.4710
bond 6 45 337.00 1.4630
bond 6 69 222.00 1.8100
bond 6 95 337.00 1.4750
bond 7 23 340.00 0.1000
bond 7 29 553.00 0.9450
bond 9 9 530.00 1.3400
bond 9 11 530.00 1.3400
bond 9 14 530.00 1.3400
bond 10 10 260.00 1.5260
bond 10 11 317.00 1.5000
bond 10 14 317.00 1.5000
bond 10 29 320.00 1.4250
bond 10 33 382.00 1.4480
bond 10 35 337.00 1.4490
bond 10 95 337.00 1.4750
bond 11 11 530.00 1.3400
bond 11 13 317.00 1.5000
bond 11 14 530.00 1.3400
bond 11 69 222.00 1.7600
bond 12 12 469.00 1.4000
bond 12 38 469.00 1.4000
bond 12 50 469.00 1.4000
bond 12 71 469.00 1.4000
bond 13 13 268.00 1.5290
bond 13 14 317.00 1.5000
bond 13 15 222.00 1.8100
bond 13 16 222.00 1.8100
bond 13 18 390.00 1.4300
bond 13 19 390.00 1.4700
bond 13 23 340.00 0.3000
bond 13 29 320.00 1.4100
bond 13 30 245.00 1.7810
bond 13 31 340.00 1.7900
bond 13 33 382.00 1.4480
bond 13 35 337.00 1.4490
bond 13 36 340.00 1.0900
bond 13 37 317.00 1.5100
bond 13 38 317.00 1.5100
bond 13 40 317.00 1.5100
bond 13 41 268.00 1.5290
bond 13 43 367.00 1.4710
bond 13 45 337.00 1.4630
bond 13 46 337.00 1.4490
bond 13 47 337.00 1.4750
bond 13 50 317.00 1.5100
bond 13 54 212.00 1.8430
bond 13 55 245.00 1.9450
bond 13 56 200.00 2.1900
bond 13 69 340.00 1.7700
bond 13 70 317.00 1.4950
bond 13 73 317.00 1.5040
bond 13 74 317.00 1.5040
bond 13 75 317.00 1.5040
bond 13 77 317.00 1.4950
bond 13 80 337.00 1.4490
bond 13 81 280.00 1.5100
bond 13 85 532.80 1.4600
bond 13 91 382.00 1.4480
bond 13 92 375.00 1.4900
bond 13 94 212.00 1.8200
bond 13 95 337.00 1.4750
bond 13 97 337.00 1.4490
bond 13 98 187.00 1.8600
bond 13 99 317.00 1.5100
bond 14 14 530.00 1.3400
bond 15 17 274.00 1.3360
bond 15 38 250.00 1.7400
bond 16 16 166.00 2.0380
bond 16 19 300.00 1.6850
bond 16 23 340.00 0.5000
bond 16 35 250.00 1.7300
bond 16 37 250.00 1.7600
bond 16 38 250.00 1.7600
bond 16 51 250.00 1.7300
bond 16 72 250.00 1.7600
bond 16 74 250.00 1.7400
bond 16 81 222.00 1.8100
bond 16 98 144.00 2.1500
bond 17 23 340.00 0.1000
bond 18 18 550.00 1.1200
bond 18 19 650.00 1.1570
bond 18 38 400.00 1.4100
bond 18 46 550.00 1.2400
bond 19 19 1150.00 1.2100
bond 19 30 330.00 1.6370
bond 19 36 420.00 1.0800
bond 19 37 400.00 1.4260
bond 19 38 400.00 1.4510
bond 19 40 400.00 1.4260
bond 19 55 330.00 1.7840
bond 19 78 400.00 1.4510
bond 19 81 400.00 1.4510
bond 20 21 600.00 0.9572
bond 20 22 900.00 0.1750
bond 20 96 40.00 2.0500
bond 23 23 340.00 0.3000
bond 23 29 340.00 0.3000
bond 23 30 300.00 0.3000
bond 23 31 340.00 0.5000
bond 23 32 340.00 0.3000
bond 23 33 340.00 0.3000
bond 23 34 340.00 0.1000
bond 23 35 367.00 0.3000
bond 23 36 340.00 0.3000
bond 23 37 340.00 0.3000
bond 23 38 367.00 0.3000
bond 23 39 340.00 0.3000
bond 23 43 340.00 0.3000
bond 23 46 367.00 0.3000
bond 23 51 367.00 0.3000
bond 23 55 300.00 0.3000
bond 23 93 340.00 0.1000
bond 29 29 250.00 1.4700
bond 29 30 200.00 1.6900
bond 29 33 320.00 1.4500
bond 29 35 320.00 1.4500
bond 29 37 450.00 1.3700
bond 29 38 450.00 1.3640
bond 29 41 320.00 1.3800
bond 29 50 340.00 1.3600
bond 29 51 462.00 1.3990
bond 29 54 230.00 1.6100
bond 29 72 462.00 1.3570
bond 29 74 340.00 1.3600
bond 29 98 374.00 1.6400
bond 30 37 300.00 1.7250
bond 30 38 300.00 1.7250
bond 30 72 300.00 1.7250
bond 30 73 300.00 1.7250
bond 30 74 300.00 1.7250
bond 30 77 300.00 1.7250
bond 30 78 300.00 1.7250
bond 30 98 223.00 2.0200
bond 31 32 700.00 1.5300
bond 32 69 700.00 1.4400
bond 33 33 350.00 1.4450
bond 33 34 434.00 1.0100
bond 33 38 481.00 1.3400
bond 33 69 340.00 1.7700
bond 33 81 382.00 1.4480
bond 33 98 266.00 1.7400
bond 34 35 434.00 1.0100
bond 34 43 434.00 1.0100
bond 34 45 434.00 1.0100
bond 34 46 434.00 1.0100
bond 34 47 434.00 1.0100
bond 34 91 434.00 1.0100
bond 34 95 434.00 1.0100
bond 34 98 166.00 1.4800
bond 35 38 427.00 1.3810
bond 35 49 427.00 1.3810
bond 35 69 434.00 1.6700
bond 35 74 427.00 1.3810
bond 35 78 427.00 1.3810
bond 35 81 337.00 1.4490
bond 35 93 500.00 1.2700
bond 35 96 40.00 2.0500
bond 36 37 340.00 1.0800
bond 36 40 340.00 1.0800
bond 36 41 340.00 1.0900
bond 36 70 340.00 1.0800
bond 36 81 340.00 1.0880
bond 36 85 532.80 1.0840
bond 36 98 166.00 1.4800
bond 36 99 340.00 1.0800
bond 37 37 549.00 1.3400
bond 37 38 427.00 1.4330
bond 37 40 549.00 1.3400
bond 37 47 448.00 1.3650
bond 37 48 367.00 1.0800
bond 37 55 300.00 1.9000
bond 37 56 250.00 2.0800
bond 37 76 385.00 1.4600
bond 37 81 317.00 1.5100
bond 37 95 448.00 1.3650
bond 37 100 700.00 1.3050
bond 38 38 469.00 1.4000
bond 38 39 367.00 1.0800
bond 38 40 427.00 1.4330
bond 38 43 400.00 1.4500
bond 38 45 481.00 1.3400
bond 38 46 483.00 1.3390
bond 38 47 427.00 1.3810
bond 38 50 469.00 1.4040
bond 38 51 414.00 1.3910
bond 38 54 220.00 1.7800
bond 38 55 300.00 1.8700
bond 38 56 250.00 2.0800
bond 38 69 340.00 1.7700
bond 38 71 469.00 1.4000
bond 38 74 546.00 1.3670
bond 38 76 469.00 1.4000
bond 38 78 469.00 1.4210
bond 38 81 317.00 1.4900
bond 38 91 382.00 1.3850
bond 38 92 400.00 1.4600
bond 38 99 427.00 1.4330
bond 39 49 367.00 1.0800
bond 39 52 340.00 1.0800
bond 39 72 367.00 1.0800
bond 39 73 367.00 1.0800
bond 39 74 367.00 1.0800
bond 39 75 367.00 1.0800
bond 39 77 367.00 1.0800
bond 39 78 367.00 1.0800
bond 40 40 385.00 1.4600
bond 40 46 457.00 1.2900
bond 40 74 549.00 1.3650
bond 40 99 385.00 1.4600
bond 41 95 337.00 1.4750
bond 42 54 525.00 1.4800
bond 43 44 434.00 1.0100
bond 44 45 434.00 1.0100
bond 45 49 481.00 1.3400
bond 45 72 481.00 1.3400
bond 46 46 500.00 1.3200
bond 46 49 502.00 1.3240
bond 46 50 461.00 1.3540
bond 46 72 461.00 1.3540
bond 46 76 483.00 1.3390
bond 46 93 550.00 1.2100
bond 46 99 457.00 1.2900
bond 47 50 436.00 1.3740
bond 47 51 400.00 1.3490
bond 47 52 440.00 1.3710
bond 47 71 428.00 1.3800
bond 47 72 477.00 1.3430
bond 47 74 427.00 1.3810
bond 47 75 427.00 1.3810
bond 47 76 385.00 1.4400
bond 48 73 367.00 1.0800
bond 48 74 367.00 1.0800
bond 49 53 367.00 1.0800
bond 50 50 520.00 1.3700
bond 50 51 414.00 1.3910
bond 50 70 388.00 1.4590
bond 50 71 447.00 1.4190
bond 50 77 469.00 1.4240
bond 50 95 436.00 1.3740
bond 51 51 400.00 1.2800
bond 51 52 529.00 1.3040
bond 51 72 488.00 1.3350
bond 51 73 410.00 1.3940
bond 51 74 410.00 1.3940
bond 51 78 410.00 1.3200
bond 52 53 367.00 1.0800
bond 52 95 440.00 1.3710
bond 53 72 367.00 1.0800
bond 54 98 108.00 2.2500
bond 55 72 300.00 1.8700
bond 55 73 300.00 1.8700
bond 55 74 300.00 1.8700
bond 55 77 300.00 1.8700
bond 55 78 300.00 1.8700
bond 55 98 151.00 2.1900
bond 56 72 250.00 2.0800
bond 56 73 250.00 2.0800
bond 56 74 250.00 2.0800
bond 56 77 250.00 2.0800
bond 56 78 250.00 2.0800
bond 56 98 108.00 2.4400
bond 67 68 500.00 1.8000
bond 70 74 546.00 1.3520
bond 72 76 385.00 1.4600
bond 72 77 520.00 1.3700
bond 73 74 520.00 1.3700
bond 73 76 385.00 1.4600
bond 74 74 512.00 1.3750
bond 74 76 385.00 1.4600
bond 74 77 546.00 1.3670
bond 74 78 520.00 1.3700
bond 75 75 520.00 1.3700
bond 76 76 385.00 1.4600
bond 76 77 385.00 1.4600
bond 76 78 385.00 1.4600
bond 77 77 469.00 1.4240
bond 77 78 469.00 1.4240
bond 79 80 490.00 1.3350
bond 79 81 317.00 1.5220
bond 80 81 337.00 1.4490
bond 81 81 260.00 1.5200
bond 92 93 550.00 1.2250
bond 98 98 94.00 2.3200
bond 99 99 549.00 1.3450
################################
## ##
## Angle Bending Parameters ##
## ##
################################
angle 23 1 23 33.00 109.47
angle 1 2 2 50.00 109.50
angle 2 2 2 63.00 112.40
angle 2 2 3 63.00 112.40
angle 2 2 5 80.00 109.50
angle 2 2 6 63.00 112.40
angle 2 2 10 63.00 112.40
angle 2 2 16 50.00 114.70
angle 2 2 29 80.00 109.50
angle 2 2 33 56.20 109.47
angle 2 2 35 80.00 111.20
angle 2 2 38 63.00 112.40
angle 2 2 41 63.00 112.40
angle 2 2 43 80.00 111.20
angle 2 2 45 80.00 111.20
angle 3 2 10 63.00 112.40
angle 3 2 33 80.00 111.20
angle 3 2 35 80.00 110.30
angle 5 2 6 80.00 109.50
angle 5 2 10 80.00 109.50
angle 6 2 6 63.00 112.40
angle 6 2 10 63.00 112.40
angle 6 2 13 63.00 112.40
angle 6 2 29 80.00 109.50
angle 6 2 33 56.20 109.47
angle 6 2 41 63.00 112.40
angle 10 2 10 63.00 112.40
angle 10 2 12 63.00 114.00
angle 10 2 15 50.00 108.60
angle 10 2 16 50.00 114.70
angle 10 2 29 80.00 109.50
angle 10 2 33 56.20 109.47
angle 10 2 38 63.00 114.00
angle 10 2 70 63.00 115.60
angle 13 2 33 56.20 109.47
angle 1 3 4 80.00 121.00
angle 1 3 13 80.00 111.00
angle 2 3 4 80.00 120.40
angle 2 3 35 70.00 116.60
angle 2 3 42 70.00 117.00
angle 3 3 4 80.00 121.40
angle 3 3 13 80.00 117.20
angle 3 3 35 70.00 116.60
angle 4 3 4 80.00 126.00
angle 4 3 5 80.00 121.00
angle 4 3 6 80.00 120.40
angle 4 3 10 80.00 120.40
angle 4 3 13 80.00 120.40
angle 4 3 29 83.00 123.40
angle 4 3 30 75.00 119.00
angle 4 3 33 80.00 120.40
angle 4 3 35 80.00 122.90
angle 4 3 36 35.00 123.00
angle 4 3 37 80.00 125.30
angle 4 3 38 80.00 120.40
angle 4 3 40 80.00 124.00
angle 4 3 42 80.00 126.00
angle 4 3 46 80.00 122.50
angle 4 3 47 80.00 120.60
angle 4 3 50 80.00 128.80
angle 4 3 55 75.00 119.00
angle 4 3 74 80.00 120.40
angle 4 3 77 80.00 128.20
angle 4 3 95 80.00 120.90
angle 4 3 97 80.00 122.90
angle 5 3 10 70.00 115.00
angle 5 3 12 70.00 120.00
angle 5 3 13 70.00 108.00
angle 5 3 36 40.00 115.00
angle 5 3 38 70.00 120.00
angle 6 3 35 70.00 116.60
angle 6 3 42 70.00 117.00
angle 10 3 29 81.00 111.40
angle 10 3 35 70.00 116.60
angle 10 3 42 65.00 117.00
angle 12 3 12 85.00 120.00
angle 13 3 13 70.00 116.00
angle 13 3 29 81.00 111.40
angle 13 3 30 75.00 109.00
angle 13 3 33 70.00 116.00
angle 13 3 35 70.00 116.60
angle 13 3 36 35.00 115.00
angle 13 3 38 70.00 116.00
angle 13 3 40 70.00 116.00
angle 13 3 42 70.00 117.00
angle 13 3 55 75.00 109.00
angle 13 3 97 70.00 116.60
angle 29 3 35 81.00 111.40
angle 29 3 36 40.00 115.00
angle 29 3 38 81.00 111.40
angle 33 3 74 70.00 116.00
angle 35 3 35 70.00 114.20
angle 35 3 36 40.00 114.00
angle 35 3 37 70.00 115.50
angle 35 3 38 70.00 115.50
angle 35 3 50 70.00 111.30
angle 36 3 36 35.00 115.00
angle 36 3 38 35.00 115.00
angle 36 3 40 80.00 116.00
angle 36 3 46 35.00 116.00
angle 36 3 46 35.00 122.00
angle 37 3 47 70.00 114.10
angle 38 3 38 85.00 120.00
angle 38 3 42 70.00 117.00
angle 42 3 42 80.00 126.00
angle 46 3 47 70.00 118.60
angle 46 3 95 70.00 118.60
angle 47 3 47 70.00 118.60
angle 47 3 50 70.00 111.30
angle 47 3 95 70.00 115.40
angle 3 4 23 35.00 113.00
angle 23 4 23 10.00 117.00
angle 2 5 7 55.00 108.50
angle 3 5 7 35.00 113.00
angle 6 5 7 55.00 108.50
angle 7 5 10 55.00 108.50
angle 7 5 13 55.00 108.50
angle 7 5 23 10.00 109.47
angle 7 5 35 49.00 105.40
angle 7 5 37 35.00 109.00
angle 7 5 38 35.00 113.00
angle 7 5 41 55.00 108.50
angle 7 5 54 55.00 108.50
angle 7 5 69 74.00 110.00
angle 7 5 96 100.00 126.00
angle 13 5 23 10.00 109.47
angle 13 5 54 100.00 120.50
angle 23 5 23 5.00 109.47
angle 23 5 38 10.00 109.47
angle 5 7 23 10.00 109.47
angle 23 7 23 33.00 109.47
angle 2 10 2 63.00 112.40
angle 2 10 3 63.00 111.10
angle 2 10 5 80.00 109.50
angle 2 10 6 63.00 112.40
angle 2 10 10 63.00 111.50
angle 2 10 29 80.00 109.50
angle 2 10 33 56.20 109.47
angle 2 10 35 80.00 109.70
angle 2 10 38 63.00 112.40
angle 2 10 95 80.00 109.50
angle 3 10 6 63.00 111.10
angle 3 10 10 63.00 111.10
angle 3 10 33 80.00 109.70
angle 3 10 35 63.00 110.10
angle 5 10 6 80.00 109.50
angle 5 10 10 80.00 109.50
angle 6 10 6 63.00 111.50
angle 6 10 10 63.00 111.50
angle 6 10 29 80.00 109.50
angle 6 10 33 56.20 109.47
angle 6 10 35 80.00 109.50
angle 10 10 10 63.00 111.50
angle 10 10 29 80.00 109.50
angle 10 10 33 56.20 109.47
angle 10 10 35 80.00 109.70
angle 10 10 95 80.00 109.50
angle 13 10 33 56.20 109.47
angle 29 10 38 80.00 109.50
angle 29 10 95 80.00 109.50
angle 2 11 2 70.00 124.00
angle 2 11 6 70.00 124.00
angle 2 11 9 70.00 118.00
angle 2 11 10 70.00 124.00
angle 2 11 11 70.00 118.00
angle 2 11 13 70.00 124.00
angle 6 11 6 70.00 124.00
angle 6 11 9 70.00 118.00
angle 6 11 10 70.00 124.00
angle 6 11 11 70.00 118.00
angle 6 11 13 70.00 124.00
angle 9 11 10 70.00 118.00
angle 9 11 11 70.00 118.00
angle 9 11 13 70.00 118.00
angle 9 11 14 70.00 118.00
angle 9 11 69 70.00 118.00
angle 10 11 10 70.00 124.00
angle 10 11 11 70.00 118.00
angle 10 11 13 70.00 124.00
angle 11 11 11 70.00 118.00
angle 11 11 13 70.00 118.00
angle 11 11 14 70.00 118.00
angle 13 11 13 70.00 124.00
angle 2 12 12 70.00 120.00
angle 3 12 12 85.00 120.00
angle 12 12 12 85.00 120.00
angle 12 12 38 85.00 120.00
angle 12 12 50 85.00 120.00
angle 12 12 71 85.00 120.00
angle 1 13 1 77.00 109.10
angle 1 13 3 50.00 109.50
angle 1 13 13 50.00 109.50
angle 1 13 36 40.00 107.00
angle 1 13 37 50.00 109.50
angle 1 13 38 50.00 109.50
angle 1 13 69 50.00 109.50
angle 2 13 2 40.00 109.50
angle 2 13 3 63.00 111.10
angle 2 13 6 40.00 109.50
angle 2 13 33 56.20 109.47
angle 2 13 35 80.00 109.70
angle 2 13 36 35.00 109.50
angle 2 13 38 63.00 114.00
angle 3 13 3 63.00 111.10
angle 3 13 6 63.00 109.50
angle 3 13 13 63.00 111.10
angle 3 13 29 50.00 109.50
angle 3 13 30 69.00 109.80
angle 3 13 33 80.00 111.20
angle 3 13 35 63.00 110.10
angle 3 13 36 35.00 109.50
angle 3 13 38 63.00 112.00
angle 3 13 43 80.00 111.20
angle 3 13 46 63.00 110.10
angle 3 13 55 69.00 109.80
angle 3 13 80 80.00 113.00
angle 5 13 13 50.00 109.50
angle 5 13 36 35.00 109.50
angle 5 13 38 50.00 109.50
angle 5 13 41 50.00 109.50
angle 6 13 6 40.00 109.50
angle 6 13 33 56.20 109.47
angle 10 13 33 56.20 109.47
angle 13 13 13 58.35 112.70
angle 13 13 15 50.00 108.60
angle 13 13 16 50.00 114.70
angle 13 13 19 58.35 112.70
angle 13 13 29 50.00 109.50
angle 13 13 30 69.00 109.80
angle 13 13 31 50.00 108.60
angle 13 13 33 56.20 109.47
angle 13 13 35 80.00 109.70
angle 13 13 36 37.50 110.70
angle 13 13 37 63.00 111.10
angle 13 13 38 63.00 114.00
angle 13 13 41 58.35 112.70
angle 13 13 43 80.00 111.20
angle 13 13 45 80.00 111.20
angle 13 13 46 65.00 109.00
angle 13 13 50 63.00 114.00
angle 13 13 54 43.00 109.50
angle 13 13 55 69.00 110.00
angle 13 13 56 75.00 112.00
angle 13 13 69 50.00 108.60
angle 13 13 70 63.00 115.60
angle 13 13 73 63.00 114.00
angle 13 13 74 63.00 114.00
angle 13 13 75 63.00 114.00
angle 13 13 77 63.00 115.60
angle 13 13 80 80.00 110.00
angle 13 13 85 63.00 105.00
angle 13 13 91 80.00 111.20
angle 13 13 92 63.00 111.10
angle 13 13 94 43.00 109.50
angle 13 13 95 50.00 109.50
angle 13 13 97 80.00 109.70
angle 13 13 98 60.00 112.00
angle 15 13 36 35.00 109.50
angle 16 13 33 50.00 114.70
angle 16 13 36 35.00 109.50
angle 16 13 38 50.00 114.70
angle 16 13 74 50.00 114.70
angle 18 13 36 35.00 108.50
angle 19 13 36 35.00 108.50
angle 29 13 35 50.00 109.50
angle 29 13 36 35.00 109.50
angle 29 13 38 50.00 109.50
angle 29 13 95 50.00 109.50
angle 30 13 30 78.00 111.70
angle 30 13 36 51.00 107.60
angle 31 13 36 35.00 109.50
angle 33 13 36 35.00 109.50
angle 33 13 38 80.00 111.20
angle 35 13 36 35.00 109.50
angle 36 13 36 33.00 107.80
angle 36 13 37 35.00 109.50
angle 36 13 38 35.00 109.50
angle 36 13 40 35.00 109.50
angle 36 13 41 37.50 110.70
angle 36 13 43 35.00 109.50
angle 36 13 45 35.00 109.50
angle 36 13 46 35.00 109.50
angle 36 13 47 35.00 109.50
angle 36 13 50 35.00 109.50
angle 36 13 54 41.00 109.50
angle 36 13 55 51.00 107.60
angle 36 13 56 75.00 111.00
angle 36 13 69 35.00 109.50
angle 36 13 70 35.00 109.50
angle 36 13 73 35.00 109.50
angle 36 13 74 35.00 109.50
angle 36 13 75 35.00 109.50
angle 36 13 77 35.00 109.50
angle 36 13 80 35.00 109.50
angle 36 13 81 37.50 110.70
angle 36 13 85 35.00 105.00
angle 36 13 91 35.00 109.50
angle 36 13 92 35.00 105.00
angle 36 13 94 41.00 109.50
angle 36 13 95 35.00 109.50
angle 36 13 97 35.00 109.50
angle 36 13 98 35.00 109.50
angle 37 13 37 63.00 112.40
angle 37 13 38 40.00 109.50
angle 38 13 38 40.00 109.50
angle 38 13 47 80.00 111.20
angle 38 13 54 43.00 109.50
angle 38 13 55 69.00 110.00
angle 55 13 55 78.00 111.70
angle 2 14 2 70.00 124.00
angle 2 14 6 70.00 124.00
angle 2 14 9 70.00 118.00
angle 2 14 10 70.00 124.00
angle 2 14 11 70.00 118.00
angle 2 14 13 70.00 124.00
angle 2 14 14 70.00 118.00
angle 6 14 6 70.00 124.00
angle 6 14 9 70.00 118.00
angle 6 14 10 70.00 124.00
angle 6 14 11 70.00 118.00
angle 6 14 13 70.00 124.00
angle 6 14 14 70.00 118.00
angle 9 14 10 70.00 118.00
angle 9 14 11 70.00 118.00
angle 9 14 13 70.00 118.00
angle 9 14 14 70.00 118.00
angle 10 14 10 70.00 124.00
angle 10 14 11 70.00 118.00
angle 10 14 13 70.00 124.00
angle 10 14 14 70.00 118.00
angle 11 14 11 70.00 118.00
angle 11 14 13 70.00 118.00
angle 11 14 14 70.00 118.00
angle 13 14 13 70.00 124.00
angle 13 14 14 70.00 118.00
angle 14 14 14 70.00 118.00
angle 2 15 17 44.00 96.00
angle 2 15 22 150.00 96.70
angle 6 15 17 44.00 96.00
angle 6 15 22 150.00 96.70
angle 13 15 17 44.00 96.00
angle 13 15 22 150.00 96.70
angle 13 15 23 10.00 109.47
angle 17 15 17 35.00 92.07
angle 17 15 22 150.00 96.70
angle 17 15 38 50.00 96.00
angle 22 15 22 10.00 160.00
angle 23 15 23 5.00 109.47
angle 2 16 6 62.00 98.90
angle 2 16 16 68.00 103.70
angle 2 16 22 150.00 96.70
angle 6 16 16 68.00 103.70
angle 6 16 22 150.00 96.70
angle 13 16 13 62.00 98.90
angle 13 16 16 68.00 103.70
angle 13 16 19 65.00 100.00
angle 13 16 22 150.00 96.70
angle 13 16 23 10.00 109.47
angle 13 16 38 62.00 104.20
angle 13 16 81 62.00 94.00
angle 16 16 22 150.00 96.70
angle 22 16 22 10.00 160.00
angle 23 16 23 5.00 109.47
angle 23 16 51 10.00 130.00
angle 23 16 72 10.00 130.00
angle 23 16 74 10.00 130.00
angle 35 16 50 74.00 92.40
angle 37 16 38 62.00 104.20
angle 50 16 72 74.00 97.00
angle 50 16 74 74.00 97.00
angle 72 16 74 74.00 90.00
angle 74 16 74 74.00 97.00
angle 15 17 23 10.00 109.47
angle 23 17 23 33.00 109.47
angle 13 18 19 150.00 180.00
angle 18 18 46 100.00 180.00
angle 19 18 38 170.00 180.00
angle 13 19 18 150.00 180.00
angle 13 19 19 150.00 180.00
angle 16 19 19 140.00 180.00
angle 18 19 23 10.00 90.00
angle 18 19 37 150.00 180.00
angle 18 19 38 150.00 180.00
angle 18 19 45 150.00 180.00
angle 18 19 78 150.00 180.00
angle 19 19 36 112.00 180.00
angle 19 19 37 160.00 180.00
angle 19 19 38 160.00 180.00
angle 19 19 40 160.00 180.00
angle 21 20 21 75.00 109.50
angle 21 20 22 50.00 54.75
angle 23 23 23 33.00 109.47
angle 2 29 2 100.00 111.80
angle 2 29 3 83.00 116.90
angle 2 29 6 100.00 111.80
angle 2 29 7 55.00 108.50
angle 2 29 38 100.00 111.80
angle 2 29 41 100.00 113.00
angle 2 29 54 100.00 120.50
angle 3 29 6 83.00 116.90
angle 3 29 10 83.00 116.90
angle 3 29 13 83.00 116.90
angle 3 29 38 83.00 116.90
angle 6 29 41 100.00 113.00
angle 6 29 54 100.00 120.50
angle 7 29 10 55.00 108.50
angle 10 29 10 100.00 111.80
angle 10 29 41 100.00 113.00
angle 10 29 54 100.00 120.50
angle 13 29 13 60.00 109.50
angle 13 29 23 10.00 109.47
angle 13 29 37 75.00 111.00
angle 13 29 38 75.00 111.00
angle 13 29 41 60.00 109.50
angle 13 29 54 100.00 120.50
angle 13 29 98 40.00 130.00
angle 23 29 23 5.00 109.47
angle 23 29 38 10.00 109.47
angle 23 29 51 10.00 125.00
angle 23 29 72 10.00 125.00
angle 23 29 74 10.00 125.00
angle 35 29 50 70.00 104.50
angle 37 29 38 75.00 111.00
angle 38 29 38 75.00 111.00
angle 38 29 54 100.00 120.50
angle 50 29 72 70.00 106.50
angle 50 29 74 70.00 106.50
angle 51 29 74 70.00 108.90
angle 54 29 54 100.00 120.50
angle 72 29 72 70.00 107.00
angle 72 29 74 70.00 104.00
angle 74 29 74 70.00 106.50
angle 98 29 98 20.00 145.00
angle 23 30 23 33.00 109.47
angle 13 31 13 62.00 96.00
angle 13 31 32 74.00 107.00
angle 23 31 32 10.00 90.00
angle 2 33 2 51.80 107.20
angle 2 33 6 51.80 107.20
angle 2 33 10 51.80 107.20
angle 2 33 13 51.80 107.20
angle 2 33 34 43.20 108.10
angle 3 33 13 63.00 111.10
angle 3 33 38 63.00 112.00
angle 6 33 6 51.80 107.20
angle 6 33 10 51.80 107.20
angle 6 33 13 51.80 107.20
angle 6 33 34 43.20 108.10
angle 10 33 10 51.80 107.20
angle 10 33 13 51.80 107.20
angle 10 33 34 43.20 108.10
angle 13 33 13 51.80 107.20
angle 13 33 34 35.00 109.50
angle 13 33 38 50.00 116.00
angle 13 33 69 50.00 108.60
angle 23 33 34 10.00 100.00
angle 23 33 38 10.00 109.50
angle 34 33 34 43.60 106.40
angle 34 33 38 35.00 116.00
angle 34 33 69 35.00 115.00
angle 38 33 38 50.00 116.00
angle 38 33 69 50.00 108.60
angle 38 33 81 50.00 109.50
angle 23 34 23 33.00 109.47
angle 23 34 33 10.00 109.50
angle 2 35 3 50.00 121.90
angle 2 35 6 50.00 121.90
angle 2 35 10 50.00 118.00
angle 2 35 34 38.00 118.40
angle 3 35 3 70.00 126.40
angle 3 35 5 46.00 115.70
angle 3 35 6 50.00 121.90
angle 3 35 10 50.00 121.90
angle 3 35 13 50.00 121.90
angle 3 35 16 70.00 112.00
angle 3 35 23 10.00 109.50
angle 3 35 29 70.00 108.60
angle 3 35 34 35.00 119.80
angle 3 35 38 50.00 121.90
angle 3 35 49 70.00 125.20
angle 3 35 81 55.00 128.00
angle 3 35 96 20.00 126.00
angle 5 35 34 35.00 110.20
angle 6 35 34 38.00 118.40
angle 10 35 34 38.00 118.40
angle 13 35 13 50.00 118.00
angle 13 35 34 38.00 118.40
angle 13 35 38 50.00 118.00
angle 13 35 69 50.00 120.00
angle 16 35 76 70.00 117.00
angle 23 35 34 10.00 100.00
angle 34 35 34 35.00 120.00
angle 34 35 38 35.00 119.80
angle 34 35 49 35.00 118.00
angle 34 35 69 100.00 111.00
angle 34 35 74 35.00 119.80
angle 34 35 77 35.00 119.80
angle 34 35 78 35.00 119.80
angle 34 35 81 40.00 113.00
angle 38 35 38 70.00 118.00
angle 38 35 74 70.00 118.00
angle 38 35 77 70.00 118.00
angle 38 35 78 70.00 118.00
angle 38 35 93 70.00 121.00
angle 44 35 44 35.00 120.00
angle 13 36 23 37.50 109.47
angle 23 36 23 33.00 109.47
angle 1 37 1 80.00 108.00
angle 1 37 3 80.00 121.50
angle 1 37 36 50.00 112.00
angle 1 37 37 80.00 121.50
angle 1 37 100 80.00 125.00
angle 3 37 6 85.00 119.70
angle 3 37 13 70.00 119.70
angle 3 37 36 35.00 119.70
angle 3 37 37 85.00 120.70
angle 3 37 81 70.00 119.70
angle 5 37 37 70.00 123.00
angle 5 37 40 70.00 123.00
angle 13 37 13 70.00 130.00
angle 13 37 36 35.00 117.00
angle 13 37 37 70.00 124.00
angle 13 37 38 85.00 119.70
angle 13 37 40 70.00 124.00
angle 13 37 47 70.00 120.00
angle 13 37 95 70.00 120.00
angle 13 37 100 80.00 122.00
angle 16 37 37 85.00 119.40
angle 16 37 47 85.00 119.40
angle 16 37 95 85.00 119.40
angle 19 37 36 35.00 120.00
angle 19 37 37 70.00 124.00
angle 23 37 36 10.00 90.00
angle 23 37 37 2.00 90.00
angle 23 37 40 2.00 90.00
angle 29 37 36 35.00 114.50
angle 29 37 37 70.00 123.00
angle 29 37 40 70.00 123.00
angle 29 37 47 70.00 120.00
angle 29 37 95 70.00 120.00
angle 30 37 36 60.00 114.00
angle 30 37 37 75.00 121.50
angle 36 37 36 35.00 117.00
angle 36 37 37 35.00 120.00
angle 36 37 38 35.00 123.30
angle 36 37 40 35.00 120.00
angle 36 37 47 35.00 119.10
angle 36 37 55 60.00 114.00
angle 36 37 81 35.00 135.00
angle 36 37 95 35.00 119.10
angle 36 37 100 40.00 121.00
angle 37 37 38 85.00 117.00
angle 37 37 47 70.00 121.20
angle 37 37 48 35.00 119.70
angle 37 37 55 75.00 120.00
angle 37 37 81 70.00 124.00
angle 37 37 95 70.00 121.20
angle 38 37 100 80.00 122.00
angle 47 37 48 35.00 119.10
angle 48 37 95 35.00 119.10
angle 1 38 38 80.00 120.00
angle 2 38 12 70.00 120.00
angle 2 38 38 70.00 120.00
angle 2 38 50 70.00 128.60
angle 3 38 13 70.00 119.70
angle 3 38 38 85.00 120.00
angle 3 38 39 35.00 120.00
angle 5 38 38 70.00 120.00
angle 5 38 46 70.00 120.00
angle 10 38 38 70.00 120.00
angle 12 38 12 85.00 120.00
angle 13 38 38 70.00 120.00
angle 13 38 46 70.00 116.00
angle 13 38 47 70.00 120.00
angle 13 38 50 70.00 128.60
angle 15 38 38 70.00 120.00
angle 16 38 38 85.00 119.40
angle 18 38 38 80.00 120.00
angle 19 38 38 70.00 120.00
angle 23 38 38 10.00 90.00
angle 23 38 39 2.00 90.00
angle 29 38 38 70.00 120.00
angle 30 38 38 75.00 120.00
angle 30 38 46 75.00 120.00
angle 33 38 38 70.00 120.00
angle 33 38 46 70.00 116.00
angle 35 38 38 70.00 120.00
angle 35 38 39 35.00 119.10
angle 37 38 38 70.00 124.00
angle 37 38 45 70.00 120.10
angle 37 38 46 70.00 121.50
angle 37 38 47 70.00 121.50
angle 38 38 38 63.00 120.00
angle 38 38 39 35.00 120.00
angle 38 38 40 70.00 124.00
angle 38 38 43 70.00 120.00
angle 38 38 45 70.00 120.10
angle 38 38 46 70.00 124.00
angle 38 38 47 70.00 108.70
angle 38 38 50 63.00 120.00
angle 38 38 51 70.00 108.70
angle 38 38 54 85.00 119.40
angle 38 38 55 75.00 120.00
angle 38 38 56 75.00 120.00
angle 38 38 69 85.00 119.40
angle 38 38 71 85.00 120.00
angle 38 38 74 70.00 107.40
angle 38 38 76 63.00 120.00
angle 38 38 92 85.00 120.00
angle 38 38 99 70.00 124.00
angle 39 38 46 35.00 116.00
angle 39 38 47 35.00 120.00
angle 39 38 50 35.00 120.00
angle 39 38 51 35.00 119.10
angle 39 38 71 35.00 120.00
angle 39 38 74 35.00 126.90
angle 39 38 76 35.00 120.00
angle 39 38 78 35.00 128.20
angle 40 38 46 70.00 121.50
angle 45 38 45 70.00 120.00
angle 45 38 46 70.00 119.30
angle 45 38 47 70.00 116.00
angle 45 38 50 70.00 123.50
angle 46 38 47 70.00 123.30
angle 46 38 50 70.00 117.30
angle 46 38 76 70.00 124.00
angle 46 38 91 70.00 124.10
angle 47 38 50 70.00 108.70
angle 47 38 51 70.00 123.30
angle 50 38 74 63.00 106.40
angle 91 38 91 70.00 111.80
angle 3 40 37 70.00 118.70
angle 13 40 37 70.00 124.00
angle 13 40 40 70.00 124.00
angle 13 40 99 70.00 124.00
angle 19 40 36 35.00 120.00
angle 23 40 36 10.00 90.00
angle 23 40 37 2.00 90.00
angle 23 40 40 2.00 90.00
angle 36 40 37 35.00 120.00
angle 36 40 38 35.00 123.30
angle 36 40 40 35.00 120.00
angle 36 40 74 35.00 122.00
angle 36 40 99 35.00 120.00
angle 37 40 38 85.00 117.00
angle 37 40 40 70.00 124.00
angle 37 40 99 70.00 124.00
angle 40 40 74 35.00 106.00
angle 2 41 29 80.00 109.50
angle 5 41 13 50.00 109.50
angle 5 41 29 92.60 111.55
angle 5 41 36 35.00 109.50
angle 6 41 6 40.00 109.50
angle 6 41 29 80.00 109.50
angle 13 41 29 50.00 109.50
angle 13 41 36 37.50 110.70
angle 13 41 95 50.00 109.50
angle 29 41 29 92.60 111.55
angle 29 41 36 35.00 109.50
angle 29 41 95 50.00 109.50
angle 36 41 36 33.00 109.50
angle 36 41 95 35.00 109.50
angle 2 43 44 35.00 109.50
angle 6 43 44 35.00 109.50
angle 13 43 13 50.00 113.00
angle 13 43 23 10.00 100.00
angle 13 43 38 55.00 114.00
angle 13 43 44 35.00 109.50
angle 23 43 38 10.00 100.00
angle 23 43 72 10.00 100.00
angle 34 43 34 43.60 109.50
angle 38 43 44 35.00 109.50
angle 44 43 44 35.00 109.50
angle 2 45 38 50.00 123.20
angle 2 45 44 35.00 118.40
angle 6 45 38 50.00 123.20
angle 13 45 13 50.00 118.00
angle 13 45 34 35.00 118.40
angle 13 45 38 50.00 123.20
angle 13 45 44 35.00 118.40
angle 34 45 34 35.00 113.00
angle 34 45 38 35.00 120.00
angle 34 45 49 35.00 120.00
angle 38 45 44 35.00 120.00
angle 44 45 44 35.00 120.00
angle 3 46 13 70.00 120.50
angle 3 46 38 70.00 120.50
angle 13 46 18 70.00 120.00
angle 13 46 38 50.00 118.00
angle 13 46 46 70.00 117.00
angle 13 46 93 70.00 114.00
angle 23 46 38 5.00 120.00
angle 23 46 49 5.00 119.80
angle 34 46 38 35.00 113.00
angle 38 46 38 70.00 117.00
angle 38 46 46 70.00 117.00
angle 38 46 49 70.00 118.60
angle 38 46 50 70.00 112.20
angle 38 46 76 70.00 117.00
angle 49 46 49 70.00 118.60
angle 49 46 50 70.00 111.00
angle 49 46 72 70.00 111.00
angle 3 47 3 70.00 126.40
angle 3 47 34 35.00 116.80
angle 3 47 37 70.00 121.60
angle 3 47 38 70.00 125.20
angle 13 47 50 70.00 125.80
angle 13 47 51 70.00 118.40
angle 13 47 52 70.00 128.80
angle 34 47 37 35.00 119.20
angle 34 47 38 35.00 118.00
angle 34 47 50 30.00 125.80
angle 34 47 51 56.00 118.40
angle 34 47 52 30.00 128.80
angle 34 47 71 35.00 123.10
angle 34 47 72 35.00 120.00
angle 34 47 74 35.00 120.00
angle 34 47 75 35.00 120.00
angle 38 47 38 70.00 125.20
angle 38 47 51 70.00 118.40
angle 38 47 52 70.00 109.80
angle 50 47 51 56.00 113.10
angle 50 47 52 70.00 105.40
angle 50 47 72 70.00 109.80
angle 50 47 74 70.00 109.80
angle 51 47 72 56.00 113.10
angle 51 47 74 56.00 113.10
angle 71 47 74 70.00 111.60
angle 72 47 74 70.00 109.80
angle 72 47 75 70.00 109.80
angle 74 47 74 70.00 109.80
angle 13 49 46 70.00 115.50
angle 35 49 45 70.00 116.00
angle 35 49 46 70.00 123.30
angle 39 49 46 35.00 115.45
angle 45 49 46 70.00 119.30
angle 46 49 46 70.00 129.10
angle 46 49 53 35.00 115.45
angle 3 50 50 85.00 119.20
angle 3 50 51 70.00 130.00
angle 3 50 74 70.00 130.00
angle 12 50 70 85.00 134.90
angle 12 50 71 85.00 116.20
angle 12 50 77 85.00 134.90
angle 13 50 38 70.00 120.00
angle 13 50 50 70.00 120.00
angle 16 50 50 70.00 111.00
angle 29 50 50 70.00 110.60
angle 35 50 50 70.00 127.70
angle 35 50 51 70.00 126.20
angle 38 50 38 85.00 134.90
angle 38 50 50 85.00 117.30
angle 38 50 51 70.00 132.40
angle 38 50 70 85.00 134.90
angle 38 50 71 85.00 116.20
angle 38 50 77 85.00 134.90
angle 46 50 47 70.00 126.20
angle 46 50 50 70.00 127.70
angle 46 50 95 70.00 126.20
angle 47 50 50 70.00 106.20
angle 47 50 77 70.00 107.70
angle 50 50 51 70.00 111.00
angle 50 50 77 70.00 107.30
angle 50 50 95 70.00 106.20
angle 70 50 71 85.00 108.80
angle 71 50 77 85.00 108.80
angle 23 51 47 10.00 125.00
angle 23 51 51 10.00 125.00
angle 23 51 72 10.00 125.00
angle 29 51 78 70.00 105.30
angle 38 51 38 70.00 125.20
angle 47 51 74 70.00 104.10
angle 47 51 78 70.00 104.10
angle 50 51 52 70.00 103.80
angle 50 51 72 70.00 110.00
angle 51 51 72 70.00 109.00
angle 72 51 73 70.00 110.00
angle 72 51 74 70.00 110.00
angle 39 52 47 35.00 120.00
angle 39 52 51 35.00 120.00
angle 39 52 95 35.00 120.00
angle 47 52 51 70.00 113.90
angle 47 52 53 35.00 123.05
angle 51 52 53 35.00 123.05
angle 51 52 95 70.00 113.90
angle 53 52 95 35.00 123.05
angle 4 54 5 100.00 108.23
angle 4 54 13 45.00 109.50
angle 4 54 29 100.00 108.23
angle 4 54 38 45.00 109.50
angle 5 54 5 45.00 102.60
angle 5 54 29 45.00 102.60
angle 5 54 38 45.00 109.50
angle 5 54 42 45.00 108.23
angle 13 54 29 45.00 109.50
angle 13 54 42 45.00 109.50
angle 29 54 29 45.00 102.60
angle 29 54 38 45.00 109.50
angle 29 54 42 100.00 108.23
angle 42 54 42 140.00 119.90
angle 23 55 23 33.00 109.47
angle 23 56 23 33.00 109.47
angle 68 67 68 150.00 180.00
angle 5 69 13 75.00 96.40
angle 5 69 32 74.00 108.70
angle 5 69 38 75.00 96.40
angle 6 69 11 62.00 98.90
angle 13 69 13 62.00 102.00
angle 13 69 32 74.00 108.90
angle 13 69 33 62.00 102.00
angle 13 69 35 100.00 103.00
angle 13 69 38 62.00 102.00
angle 13 69 72 62.00 102.00
angle 32 69 32 104.00 119.00
angle 32 69 33 74.00 108.90
angle 32 69 35 120.00 107.00
angle 32 69 38 74.00 107.20
angle 35 69 38 100.00 103.00
angle 2 70 50 70.00 128.60
angle 2 70 74 70.00 125.00
angle 13 70 50 70.00 128.60
angle 13 70 74 70.00 125.00
angle 36 70 50 35.00 126.80
angle 36 70 74 35.00 126.80
angle 50 70 74 85.00 106.40
angle 12 71 47 70.00 132.80
angle 12 71 50 85.00 122.70
angle 38 71 47 70.00 132.80
angle 38 71 50 85.00 122.70
angle 47 71 50 70.00 104.40
angle 13 72 16 70.00 125.00
angle 13 72 47 70.00 125.00
angle 13 72 51 70.00 125.00
angle 16 72 33 70.00 120.20
angle 16 72 35 70.00 125.00
angle 16 72 39 35.00 125.00
angle 16 72 51 70.00 113.60
angle 16 72 51 70.00 115.00
angle 29 72 39 35.00 117.00
angle 29 72 51 70.00 115.00
angle 29 72 76 70.00 122.00
angle 33 72 51 70.00 126.10
angle 35 72 51 70.00 126.20
angle 38 72 47 70.00 125.00
angle 39 72 47 35.00 120.00
angle 39 72 51 35.00 120.00
angle 46 72 47 70.00 126.20
angle 46 72 77 70.00 127.70
angle 47 72 47 70.00 120.00
angle 47 72 51 70.00 120.00
angle 47 72 69 70.00 120.00
angle 47 72 77 70.00 106.20
angle 51 72 69 70.00 120.00
angle 51 72 76 70.00 130.00
angle 13 73 51 70.00 124.50
angle 13 73 74 70.00 130.70
angle 38 73 51 70.00 111.00
angle 39 73 51 35.00 120.00
angle 39 73 74 35.00 128.20
angle 51 73 74 70.00 111.00
angle 3 74 47 85.00 120.00
angle 3 74 77 85.00 120.00
angle 13 74 16 70.00 125.00
angle 13 74 29 70.00 121.60
angle 13 74 47 70.00 121.60
angle 13 74 51 70.00 118.90
angle 13 74 73 70.00 130.70
angle 13 74 74 70.00 120.00
angle 13 74 77 70.00 132.10
angle 16 74 35 70.00 125.00
angle 16 74 39 35.00 125.00
angle 16 74 73 70.00 111.00
angle 16 74 77 70.00 111.00
angle 29 74 39 35.00 113.40
angle 29 74 40 70.00 110.00
angle 29 74 73 70.00 108.00
angle 29 74 76 70.00 121.60
angle 29 74 77 70.00 110.60
angle 38 74 39 35.00 130.70
angle 38 74 47 70.00 121.60
angle 38 74 77 70.00 132.10
angle 39 74 40 35.00 130.70
angle 39 74 47 35.00 121.60
angle 39 74 70 35.00 120.00
angle 39 74 73 35.00 130.70
angle 39 74 77 35.00 132.10
angle 47 74 48 35.00 120.00
angle 47 74 70 70.00 108.70
angle 47 74 73 70.00 106.30
angle 47 74 74 70.00 120.00
angle 47 74 76 70.00 121.60
angle 47 74 77 70.00 107.70
angle 51 74 74 70.00 120.00
angle 51 74 77 70.00 111.90
angle 76 74 77 70.00 132.10
angle 13 75 47 70.00 121.60
angle 13 75 75 70.00 130.70
angle 39 75 47 35.00 120.00
angle 39 75 75 35.00 130.70
angle 47 75 75 70.00 106.30
angle 38 76 38 63.00 120.00
angle 38 76 46 70.00 124.00
angle 38 76 72 63.00 120.00
angle 38 76 73 63.00 120.00
angle 38 76 74 63.00 120.00
angle 38 76 76 63.00 120.00
angle 38 76 77 63.00 120.00
angle 38 76 78 63.00 120.00
angle 46 76 76 70.00 124.00
angle 2 77 74 70.00 125.00
angle 3 77 74 70.00 130.00
angle 13 77 50 70.00 128.60
angle 13 77 74 70.00 125.00
angle 36 77 50 35.00 126.80
angle 36 77 74 35.00 126.80
angle 39 77 50 35.00 120.00
angle 39 77 74 35.00 125.70
angle 39 77 77 35.00 127.50
angle 50 77 74 85.00 106.40
angle 50 77 77 70.00 107.30
angle 72 77 74 70.00 110.40
angle 74 77 74 70.00 103.80
angle 74 77 76 70.00 125.70
angle 74 77 77 70.00 107.30
angle 74 77 78 70.00 103.80
angle 76 77 77 70.00 127.50
angle 13 78 51 70.00 118.90
angle 19 78 51 70.00 118.90
angle 38 78 39 35.00 128.60
angle 39 78 51 35.00 118.90
angle 51 78 77 70.00 111.90
angle 4 79 80 80.00 134.00
angle 4 79 81 80.00 134.00
angle 80 79 81 70.00 91.00
angle 13 80 79 55.00 127.00
angle 13 80 81 50.00 126.00
angle 79 80 81 50.00 94.00
angle 13 81 36 35.00 114.30
angle 13 81 81 37.50 117.20
angle 16 81 36 37.50 108.00
angle 16 81 80 55.00 109.00
angle 16 81 81 55.00 128.00
angle 33 81 36 35.00 114.30
angle 33 81 81 37.50 117.20
angle 35 81 36 35.00 108.00
angle 35 81 79 70.00 117.00
angle 35 81 81 37.50 126.00
angle 36 81 36 35.00 114.30
angle 36 81 37 35.00 109.50
angle 36 81 79 37.50 110.00
angle 36 81 80 35.00 111.00
angle 36 81 81 37.50 117.20
angle 37 81 81 63.00 114.00
angle 79 81 81 63.00 85.00
angle 80 81 81 80.00 89.00
angle 81 81 81 30.00 79.20
angle 13 85 13 172.80 120.00
angle 13 85 36 144.00 120.00
angle 13 91 34 35.00 109.50
angle 13 91 38 50.00 120.50
angle 34 91 34 43.60 106.40
angle 34 91 38 50.00 112.50
angle 13 92 93 80.00 117.50
angle 38 92 93 80.00 117.50
angle 93 92 93 80.00 125.00
angle 23 93 23 10.00 109.50
angle 23 93 92 10.00 109.50
angle 13 94 13 45.00 109.50
angle 3 95 10 70.00 117.60
angle 3 95 13 70.00 117.60
angle 3 95 34 35.00 119.20
angle 3 95 37 70.00 121.60
angle 3 95 41 70.00 117.60
angle 6 95 50 70.00 125.80
angle 6 95 52 70.00 128.80
angle 10 95 50 70.00 125.80
angle 10 95 52 70.00 128.80
angle 13 95 37 70.00 121.20
angle 13 95 50 70.00 125.80
angle 13 95 52 70.00 128.80
angle 34 95 37 35.00 119.20
angle 34 95 50 30.00 125.80
angle 34 95 52 30.00 128.80
angle 37 95 41 70.00 121.20
angle 41 95 50 70.00 125.80
angle 41 95 52 70.00 128.80
angle 50 95 52 70.00 105.40
angle 4 96 35 20.00 109.50
angle 35 96 35 20.00 109.50
angle 3 97 13 50.00 121.90
angle 13 97 13 50.00 118.00
angle 1 98 13 35.00 110.50
angle 13 98 13 60.00 110.00
angle 13 98 29 60.00 100.00
angle 13 98 30 35.00 110.50
angle 13 98 34 35.00 110.50
angle 13 98 36 35.00 110.50
angle 13 98 55 35.00 110.50
angle 13 98 56 35.00 110.50
angle 13 98 98 50.00 112.00
angle 29 98 29 60.00 110.00
angle 34 98 34 35.00 109.50
angle 36 98 36 35.00 109.50
angle 13 99 40 70.00 124.00
angle 13 99 99 70.00 124.00
angle 36 99 38 35.00 123.30
angle 36 99 40 35.00 120.00
angle 36 99 99 35.00 120.00
angle 38 99 99 85.00 117.00
angle 40 99 99 70.00 124.00
angle 4 100 37 160.00 180.00
angle 37 100 37 160.00 180.00
#####################################
## ##
## Improper Torsional Parameters ##
## ##
#####################################
imptors 0 0 3 4 21.000 180.0 2
imptors 0 0 3 42 21.000 180.0 2
imptors 0 0 35 0 5.000 180.0 2
imptors 0 0 37 0 30.000 180.0 2
imptors 0 0 38 0 5.000 180.0 2
############################
## ##
## Torsional Parameters ##
## ##
############################
###################################################################
## ##
## Alternative Torsional Parameter Values for Use with OPLS-AA ##
## ##
## For some torsions, OPLS-AA has multiple possible parameter ##
## values; the list below shows functional groups for which ##
## these alternate (commented) values should be preferred; the ##
## values are in the same order as in the full parameter list ##
## ##
## 4 3 3 36 generic (default) ##
## 4 3 3 36 dicarbonyls ##
## 36 3 3 36 hydrocarbon (default) ##
## 36 3 3 36 dicarbonyls ##
## 13 3 5 7 carboxylic acid (default) ##
## 13 3 5 7 1,2-diacid monoanion ##
## 4 3 13 13 peptide (default) ##
## 4 3 13 13 propanamide ##
## 4 3 13 13 carboxylic acid ##
## 4 3 13 13 dicarboxylic acid ##
## 4 3 13 13 aldyhyde, ketone, acyl halide ##
## 4 3 13 13 1,2-diacid monoanion ##
## 5 3 13 13 carboxylic acid (default) ##
## 5 3 13 13 dicarboxylic acid ##
## 35 3 13 13 peptide psi' (default) ##
## 35 3 13 13 propanamide ##
## 35 3 13 13 beta-3-peptide, last psi ##
## 4 3 29 13 esters (default) ##
## 4 3 29 13 benzoic esters ##
## 7 5 13 13 alcohols (default) ##
## 7 5 13 13 trifluoroethanol ##
## 7 5 13 13 hexopyranoses ##
## 7 5 13 36 alcohols (default) ##
## 7 5 13 36 axial cyclohexanol ##
## 7 5 13 36 trifluoroethanol ##
## 0 13 13 13 alcohols, ethers (default) ##
## 0 13 13 13 hexopyranoses ##
## 3 13 13 3 dicarboxylic acid (default) ##
## 3 13 13 3 1,2-diacid monoanion ##
## 3 13 13 13 butanamide (default) ##
## 3 13 13 13 carboxylate ion ##
## 3 13 13 13 aldyhyde, ketone, acyl halide ##
## 3 13 13 36 all carbonyls (default) ##
## 3 13 13 36 dicarboxylic acid ##
## 3 13 13 36 aldehyde, ketone, acyl halide ##
## 5 13 13 5 diols only (default) ##
## 5 13 13 5 triols only ##
## 5 13 13 5 hexopyranoses ##
## 13 13 13 13 hydrocarbon (default) ##
## 13 13 13 13 perfluoroalkane ##
## 13 13 13 35 peptide chi-1 (default) ##
## 13 13 13 35 N-propylformamide ##
## 36 13 13 69 generic (default) ##
## 36 13 13 69 sulfone ##
## 13 13 33 13 amine (default) ##
## 13 13 33 13 exocyclic amine ##
## 13 13 33 13 exocyclic 1,4-diamine ##
## 13 13 33 34 amine (default) ##
## 13 13 33 34 azetidine, 4-ring ##
## 13 13 33 34 pyrrolidine, 5-ring ##
## 13 13 33 34 cyclic amine ##
## 13 13 33 34 cyclic 1,4-diamine ##
## 13 13 35 3 peptide phi' (default) ##
## 13 13 35 3 N-ethylformamide ##
## 13 13 35 3 beta-3-peptide, first theta tors ##
## 13 13 35 13 proline, CD-N-CA-CB (default) ##
## 13 13 35 13 proline, CG-CD-N-CA ##
## 36 13 35 3 peptide phi'' (default) ##
## 36 13 35 3 N-methylformamide ##
## 13 13 47 0 imidazole, indole, purine (default) ##
## 13 13 47 0 nucleoside chi ##
## 13 13 47 52 nucleoside (default) ##
## 13 13 47 52 imidazole, indole, purine ##
## 29 13 47 0 imidazole, indole, purine (default) ##
## 29 13 47 0 nucleoside chi ##
## 29 13 95 52 nucleoside (default) ##
## 29 13 95 52 imidazole, indole, purine ##
## 13 13 97 13 generic (default) ##
## 13 13 97 13 generic ##
## 17 15 38 0 aromatic thiol (default) ##
## 17 15 38 0 aromatic thiol, N-C-S-H ##
## 13 29 54 42 phosphonates (default) ##
## 13 29 54 42 dimethyl phosphate ##
## 34 35 72 16 diaryl amine (default) ##
## 34 35 72 16 aniline-like ##
## 34 35 72 29 diaryl amine (default) ##
## 34 35 72 29 aniline-like ##
## 13 40 40 37 diene (default) ##
## 13 40 40 37 2-methyl-1,3-butadiene ##
## 0 46 72 0 generic (default) ##
## 0 46 72 0 generic ##
## 0 47 72 0 generic (default) ##
## 0 47 72 0 generic ##
## 0 47 74 0 generic (default) ##
## 0 47 74 0 generic ##
## 0 47 74 0 generic ##
## 0 51 72 0 generic (default) ##
## 0 51 72 0 HA-CR-NB-?? or N?-CR-NB-?? ##
## 0 72 77 0 generic (default) ##
## 0 72 77 0 biphenyl-like, N-C-C-C ##
## ##
###################################################################
torsion 0 2 2 2 -2.500 0.0 1 1.250 180.0 2 3.100 0.0 3
torsion 0 2 2 6 -2.500 0.0 1 1.250 180.0 2 3.100 0.0 3
torsion 1 2 2 2 -2.000 0.0 1 0.700 180.0 2 3.000 0.0 3
torsion 1 2 2 6 -2.000 0.0 1 0.700 180.0 2 3.000 0.0 3
torsion 2 2 2 2 -3.400 0.0 1 1.250 180.0 2 3.100 0.0 3
torsion 2 2 2 6 -3.400 0.0 1 1.250 180.0 2 3.100 0.0 3
torsion 2 2 2 10 -3.400 0.0 1 1.250 180.0 2 3.100 0.0 3
torsion 2 2 2 13 -3.400 0.0 1 1.250 180.0 2 3.100 0.0 3
torsion 2 2 2 55 -2.000 0.0 1 0.500 180.0 2 3.250 0.0 3
torsion 6 2 2 6 -3.400 0.0 1 1.250 180.0 2 3.100 0.0 3
torsion 6 2 2 55 -2.000 0.0 1 0.500 180.0 2 3.250 0.0 3
torsion 10 2 2 10 -3.400 0.0 1 1.250 180.0 2 3.100 0.0 3
torsion 2 2 5 7 0.300 0.0 1 0.000 180.0 2 1.300 0.0 3
torsion 6 2 5 7 0.300 0.0 1 0.000 180.0 2 1.300 0.0 3
torsion 10 2 5 7 0.300 0.0 1 0.000 180.0 2 1.300 0.0 3
torsion 0 2 10 2 -2.500 0.0 1 1.250 180.0 2 3.100 0.0 3
torsion 2 2 10 2 -3.400 0.0 1 1.250 180.0 2 3.100 0.0 3
torsion 2 2 13 2 -3.400 0.0 1 1.250 180.0 2 3.100 0.0 3
torsion 6 2 29 2 -7.400 0.0 1 3.000 180.0 2 1.800 0.0 3
torsion 6 2 29 6 -8.400 0.0 1 3.000 180.0 2 1.800 0.0 3
torsion 4 3 3 4 1.600 0.0 1 3.200 180.0 2 0.000 0.0 3
torsion 4 3 3 13 0.000 0.0 1 0.500 180.0 2 0.000 0.0 3
torsion 4 3 3 35 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 4 3 3 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
#torsion 4 3 3 36 0.000 0.0 1 0.200 180.0 2 0.000 0.0 3
torsion 13 3 3 13 0.700 0.0 1 -1.500 180.0 2 0.000 0.0 3
torsion 13 3 3 35 -0.500 0.0 1 0.200 180.0 2 0.000 0.0 3
torsion 13 3 3 36 0.800 0.0 1 -0.760 180.0 2 0.000 0.0 3
torsion 35 3 3 36 -0.900 0.0 1 0.300 180.0 2 0.000 0.0 3
torsion 36 3 3 36 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
#torsion 36 3 3 36 0.800 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 3 3 5 7 3.000 0.0 1 5.500 180.0 2 0.000 0.0 3
torsion 4 3 5 7 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3
torsion 13 3 5 7 1.500 0.0 1 5.500 180.0 2 0.000 0.0 3
#torsion 13 3 5 7 3.200 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 35 3 5 7 -2.000 0.0 1 5.000 180.0 2 0.000 0.0 3
torsion 36 3 5 7 1.500 0.0 1 5.500 180.0 2 0.000 0.0 3
torsion 38 3 5 7 4.000 0.0 1 5.000 180.0 2 0.000 0.0 3
torsion 1 3 13 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 1 3 13 36 0.000 0.0 1 0.000 180.0 2 0.360 0.0 3
torsion 3 3 13 36 0.000 0.0 1 0.000 180.0 2 0.085 0.0 3
torsion 4 3 13 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 4 3 13 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
#torsion 4 3 13 13 0.000 0.0 1 1.166 180.0 2 0.000 0.0 3
#torsion 4 3 13 13 0.000 0.0 1 0.546 180.0 2 0.000 0.0 3
#torsion 4 3 13 13 -0.750 0.0 1 -0.550 180.0 2 -0.250 0.0 3
#torsion 4 3 13 13 -0.277 0.0 1 1.228 180.0 2 -0.694 0.0 3
#torsion 4 3 13 13 -1.000 0.0 1 -1.900 180.0 2 -0.900 0.0 3
torsion 4 3 13 30 -0.650 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 4 3 13 33 0.000 0.0 1 0.820 180.0 2 0.000 0.0 3
torsion 4 3 13 35 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 4 3 13 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 4 3 13 38 0.000 0.0 1 0.546 180.0 2 0.000 0.0 3
torsion 5 3 13 13 0.000 0.0 1 1.412 180.0 2 0.000 0.0 3
#torsion 5 3 13 13 1.000 0.0 1 0.546 180.0 2 0.450 0.0 3
torsion 5 3 13 33 5.260 0.0 1 0.820 180.0 2 0.000 0.0 3
torsion 5 3 13 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 3 13 13 1.454 0.0 1 -0.144 180.0 2 -0.775 0.0 3
torsion 13 3 13 36 0.000 0.0 1 0.000 180.0 2 0.275 0.0 3
torsion 29 3 13 13 0.000 0.0 1 0.000 180.0 2 -0.553 0.0 3
torsion 29 3 13 36 0.000 0.0 1 0.000 180.0 2 0.132 0.0 3
torsion 30 3 13 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 30 3 13 36 0.000 0.0 1 0.000 180.0 2 0.360 0.0 3
torsion 35 3 13 13 1.173 0.0 1 0.189 180.0 2 -1.200 0.0 3
#torsion 35 3 13 13 3.250 0.0 1 -0.402 180.0 2 -0.136 0.0 3
#torsion 35 3 13 13 3.260 0.0 1 0.440 180.0 2 0.600 0.0 3
torsion 35 3 13 30 0.650 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 35 3 13 35 1.816 0.0 1 1.222 180.0 2 1.581 0.0 3
torsion 35 3 13 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 3 13 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 3 13 36 0.000 0.0 1 0.000 180.0 2 0.360 0.0 3
torsion 38 3 13 36 0.000 0.0 1 0.000 180.0 2 0.275 0.0 3
torsion 42 3 13 13 0.000 0.0 1 0.820 180.0 2 0.000 0.0 3
torsion 42 3 13 33 0.000 0.0 1 0.820 180.0 2 0.000 0.0 3
torsion 42 3 13 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 55 3 13 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 55 3 13 36 0.000 0.0 1 0.000 180.0 2 0.360 0.0 3
torsion 97 3 13 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 4 3 29 13 0.000 0.0 1 5.124 180.0 2 0.000 0.0 3
#torsion 4 3 29 13 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3
torsion 4 3 29 38 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3
torsion 13 3 29 13 4.669 0.0 1 5.124 180.0 2 0.000 0.0 3
torsion 13 3 29 38 1.500 0.0 1 5.000 180.0 2 0.000 0.0 3
torsion 35 3 29 13 -2.000 0.0 1 5.000 180.0 2 0.000 0.0 3
torsion 36 3 29 13 4.669 0.0 1 5.124 180.0 2 0.000 0.0 3
torsion 38 3 29 13 4.000 0.0 1 5.000 180.0 2 0.000 0.0 3
torsion 3 3 35 13 0.400 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 3 3 35 34 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 4 3 35 5 0.000 0.0 1 6.603 180.0 2 0.000 0.0 3
torsion 4 3 35 13 0.000 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 4 3 35 34 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 4 3 35 37 0.000 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 4 3 35 38 0.000 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 4 3 35 81 0.000 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 5 3 35 13 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 5 3 35 34 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 13 3 35 5 4.542 0.0 1 6.603 180.0 2 1.045 0.0 3
torsion 13 3 35 13 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 13 3 35 34 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 13 3 35 38 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 29 3 35 13 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 29 3 35 34 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 35 3 35 3 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 35 3 35 13 4.600 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 35 3 35 34 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 36 3 35 13 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 36 3 35 34 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 37 3 35 34 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 38 3 35 34 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 38 3 35 38 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 38 3 35 74 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 38 3 35 77 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 74 3 35 38 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 74 3 35 74 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 74 3 35 77 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 77 3 35 34 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 77 3 35 38 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 77 3 35 74 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 77 3 35 77 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 0 3 37 13 0.900 0.0 1 0.230 180.0 2 -0.505 0.0 3
torsion 4 3 37 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 4 3 37 37 2.500 0.0 1 6.000 180.0 2 0.000 0.0 3
torsion 5 3 37 37 3.200 0.0 1 -3.000 180.0 2 0.000 0.0 3
torsion 35 3 37 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 35 3 37 37 2.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 97 3 37 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 97 3 37 37 2.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 4 3 38 38 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 5 3 38 38 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 13 3 38 38 0.000 0.0 1 0.200 180.0 2 0.000 0.0 3
torsion 29 3 38 38 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 35 3 38 38 0.000 0.0 1 1.100 180.0 2 0.000 0.0 3
torsion 36 3 38 38 0.000 0.0 1 0.200 180.0 2 0.000 0.0 3
torsion 0 3 40 13 0.900 0.0 1 0.230 180.0 2 -0.505 0.0 3
torsion 4 3 40 37 2.500 0.0 1 6.000 180.0 2 0.000 0.0 3
torsion 5 3 40 37 3.200 0.0 1 -3.000 180.0 2 0.000 0.0 3
torsion 13 3 40 37 0.800 0.0 1 -3.000 180.0 2 0.000 0.0 3
torsion 13 3 46 0 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 3 46 13 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 36 3 46 0 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 36 3 46 34 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 0 3 50 0 0.000 0.0 1 7.000 180.0 2 0.000 0.0 3
torsion 4 3 50 0 0.000 0.0 1 7.000 180.0 2 0.000 0.0 3
torsion 4 3 72 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 4 3 72 47 2.000 0.0 1 1.000 180.0 2 0.000 0.0 3
torsion 4 3 72 51 0.000 0.0 1 1.000 180.0 2 0.000 0.0 3
torsion 72 3 72 47 -2.000 0.0 1 1.000 180.0 2 0.000 0.0 3
torsion 72 3 72 51 0.000 0.0 1 1.000 180.0 2 0.000 0.0 3
torsion 4 3 74 29 -0.750 0.0 1 1.500 180.0 2 0.000 0.0 3
torsion 4 3 74 77 0.750 0.0 1 1.500 180.0 2 0.000 0.0 3
torsion 74 3 74 29 0.000 0.0 1 1.500 180.0 2 0.000 0.0 3
torsion 74 3 74 77 0.000 0.0 1 1.500 180.0 2 0.000 0.0 3
torsion 38 3 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 0 3 77 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 4 3 77 74 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 4 3 77 77 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 35 3 77 74 0.000 0.0 1 1.100 180.0 2 0.000 0.0 3
torsion 35 3 77 77 0.000 0.0 1 1.100 180.0 2 0.000 0.0 3
torsion 4 3 97 13 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 13 3 97 13 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 4 3 99 99 2.500 0.0 1 6.000 180.0 2 0.000 0.0 3
torsion 5 3 99 99 3.200 0.0 1 -3.000 180.0 2 0.000 0.0 3
torsion 0 4 96 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 7 5 10 2 0.300 0.0 1 0.000 180.0 2 0.500 0.0 3
torsion 7 5 10 6 0.300 0.0 1 0.000 180.0 2 0.500 0.0 3
torsion 7 5 13 2 0.000 0.0 1 0.000 180.0 2 0.200 0.0 3
torsion 7 5 13 6 0.000 0.0 1 0.000 180.0 2 0.200 0.0 3
torsion 7 5 13 13 -0.356 0.0 1 -0.174 180.0 2 0.492 0.0 3
#torsion 7 5 13 13 4.478 0.0 1 -2.175 180.0 2 0.000 0.0 3
#torsion 7 5 13 13 2.674 0.0 1 -2.883 180.0 2 1.026 0.0 3
torsion 7 5 13 36 0.000 0.0 1 0.000 180.0 2 0.352 0.0 3
#torsion 7 5 13 36 -2.589 0.0 1 -1.123 180.0 2 0.270 0.0 3
#torsion 7 5 13 36 0.000 0.0 1 0.000 180.0 2 0.476 0.0 3
torsion 7 5 13 37 -0.900 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 7 5 13 38 -0.900 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 7 5 13 40 -0.900 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 7 5 33 13 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 7 5 33 34 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 7 5 35 3 5.519 0.0 1 -6.700 180.0 2 0.581 0.0 3
torsion 7 5 35 34 2.722 0.0 1 -5.154 180.0 2 0.000 0.0 3
torsion 7 5 37 37 0.000 0.0 1 1.682 180.0 2 0.000 0.0 3
torsion 7 5 38 38 0.000 0.0 1 1.682 180.0 2 0.000 0.0 3
torsion 7 5 41 29 -1.257 0.0 1 -1.806 180.0 2 0.003 0.0 3
torsion 7 5 46 3 3.000 0.0 1 3.000 180.0 2 0.000 0.0 3
torsion 7 5 54 4 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 7 5 54 5 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 7 5 69 13 -0.750 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 7 5 69 32 0.750 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 7 5 69 38 2.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 13 13 3 -4.344 0.0 1 -1.714 180.0 2 0.000 0.0 3
torsion 0 13 13 13 1.711 0.0 1 -0.500 180.0 2 0.663 0.0 3
#torsion 0 13 13 13 -1.336 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 13 13 35 1.428 0.0 1 0.086 180.0 2 0.029 0.0 3
torsion 1 13 13 1 -2.500 0.0 1 0.000 180.0 2 0.250 0.0 3
torsion 1 13 13 5 0.000 0.0 1 0.000 180.0 2 0.540 0.0 3
torsion 1 13 13 13 0.300 0.0 1 -0.400 180.0 2 0.400 0.0 3
torsion 1 13 13 36 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3
torsion 3 13 13 3 -0.550 0.0 1 0.000 180.0 2 1.000 0.0 3
#torsion 3 13 13 3 0.800 0.0 1 0.000 180.0 2 0.900 0.0 3
torsion 3 13 13 5 -6.180 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 3 13 13 13 -2.060 0.0 1 -0.313 180.0 2 0.315 0.0 3
#torsion 3 13 13 13 -3.185 0.0 1 -0.825 180.0 2 0.493 0.0 3
#torsion 3 13 13 13 -1.697 0.0 1 -0.456 180.0 2 0.585 0.0 3
torsion 3 13 13 15 -4.344 0.0 1 -1.714 180.0 2 0.000 0.0 3
torsion 3 13 13 16 -4.344 0.0 1 -1.714 180.0 2 0.000 0.0 3
torsion 3 13 13 35 -9.000 0.0 1 2.000 180.0 2 0.800 0.0 3
torsion 3 13 13 36 0.000 0.0 1 0.000 180.0 2 -0.100 0.0 3
#torsion 3 13 13 36 0.000 0.0 1 0.000 180.0 2 0.074 0.0 3
#torsion 3 13 13 36 0.000 0.0 1 0.000 180.0 2 -0.076 0.0 3
torsion 3 13 13 38 -1.697 0.0 1 -0.456 180.0 2 0.585 0.0 3
torsion 3 13 13 70 -1.697 0.0 1 -0.456 180.0 2 0.585 0.0 3
torsion 5 13 13 5 9.508 0.0 1 0.000 180.0 2 0.000 0.0 3
#torsion 5 13 13 5 12.234 0.0 1 0.000 180.0 2 0.000 0.0 3
#torsion 5 13 13 5 9.066 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 5 13 13 13 -1.552 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 5 13 13 29 4.319 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 5 13 13 33 8.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 5 13 13 35 6.280 0.0 1 -1.467 180.0 2 2.030 0.0 3
torsion 5 13 13 36 0.000 0.0 1 0.000 180.0 2 0.468 0.0 3
torsion 13 13 13 13 1.300 0.0 1 -0.050 180.0 2 0.200 0.0 3
#torsion 13 13 13 13 6.622 0. 1 0.948 180. 2 -1.388 0. 3 -2.118 180. 4
torsion 13 13 13 15 1.262 0.0 1 -0.198 180.0 2 0.465 0.0 3
torsion 13 13 13 16 2.619 0.0 1 -0.620 180.0 2 0.258 0.0 3
torsion 13 13 13 19 0.000 0.0 1 -0.650 180.0 2 0.000 0.0 3
torsion 13 13 13 30 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3
torsion 13 13 13 33 2.392 0.0 1 -0.674 180.0 2 0.550 0.0 3
torsion 13 13 13 35 0.845 0.0 1 -0.962 180.0 2 0.713 0.0 3
#torsion 13 13 13 35 1.964 0.0 1 0.000 180.0 2 0.659 0.0 3
torsion 13 13 13 36 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
#the parameter was added because it did not exist.
torsion 13 13 13 37 1.711 0.0 1 -0.500 180.0 2 0.663 0.0 3
torsion 13 13 13 41 1.300 0.0 1 -0.050 180.0 2 0.200 0.0 3
torsion 13 13 13 43 2.732 0.0 1 -0.229 180.0 2 0.485 0.0 3
torsion 13 13 13 55 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3
torsion 13 13 13 56 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3
torsion 13 13 13 69 1.262 0.0 1 -0.198 180.0 2 0.465 0.0 3
torsion 13 13 13 97 1.964 0.0 1 0.000 180.0 2 0.659 0.0 3
torsion 13 13 13 98 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 15 13 13 36 0.000 0.0 1 0.000 180.0 2 0.452 0.0 3
torsion 16 13 13 36 0.000 0.0 1 0.000 180.0 2 0.452 0.0 3
torsion 19 13 13 36 0.000 0.0 1 0.000 180.0 2 0.366 0.0 3
torsion 29 13 13 29 -0.550 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 29 13 13 36 0.000 0.0 1 0.000 180.0 2 0.468 0.0 3
torsion 30 13 13 30 -0.250 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 30 13 13 33 2.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 30 13 13 36 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3
torsion 33 13 13 33 11.035 0.0 1 -0.968 180.0 2 0.270 0.0 3
torsion 33 13 13 36 -1.013 0.0 1 -0.709 180.0 2 0.473 0.0 3
torsion 33 13 13 38 -0.800 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 35 13 13 36 0.000 0.0 1 0.000 180.0 2 0.464 0.0 3
torsion 35 13 13 38 0.845 0.0 1 -0.962 180.0 2 0.713 0.0 3
torsion 35 13 13 70 0.845 0.0 1 -0.962 180.0 2 0.713 0.0 3
torsion 36 13 13 36 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 36 13 13 37 0.000 0.0 1 0.000 180.0 2 0.366 0.0 3
torsion 36 13 13 38 0.000 0.0 1 0.000 180.0 2 0.462 0.0 3
torsion 36 13 13 41 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 36 13 13 43 0.000 0.0 1 0.000 180.0 2 0.384 0.0 3
torsion 36 13 13 45 0.000 0.0 1 0.000 180.0 2 -0.582 0.0 3
torsion 36 13 13 49 0.000 0.0 1 0.000 180.0 2 0.462 0.0 3
torsion 36 13 13 52 0.000 0.0 1 0.000 180.0 2 0.462 0.0 3
torsion 36 13 13 55 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3
torsion 36 13 13 56 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3
torsion 36 13 13 69 0.000 0.0 1 0.000 180.0 2 0.452 0.0 3
#torsion 36 13 13 69 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3
torsion 36 13 13 70 0.000 0.0 1 0.000 180.0 2 0.462 0.0 3
torsion 36 13 13 72 0.000 0.0 1 0.000 180.0 2 0.462 0.0 3
torsion 36 13 13 73 0.000 0.0 1 0.000 180.0 2 0.462 0.0 3
torsion 36 13 13 74 0.000 0.0 1 0.000 180.0 2 0.462 0.0 3
torsion 36 13 13 77 0.000 0.0 1 0.000 180.0 2 0.462 0.0 3
torsion 36 13 13 78 0.000 0.0 1 0.000 180.0 2 0.462 0.0 3
torsion 36 13 13 92 0.000 0.0 1 0.000 180.0 2 -0.225 0.0 3
torsion 36 13 13 94 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 36 13 13 97 0.000 0.0 1 0.000 180.0 2 0.464 0.0 3
torsion 36 13 13 98 0.000 0.0 1 0.000 180.0 2 0.450 0.0 3
torsion 36 13 13 99 0.000 0.0 1 0.000 180.0 2 0.366 0.0 3
torsion 38 13 13 43 1.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 98 13 13 98 5.200 0.0 1 -0.500 180.0 2 0.000 0.0 3
torsion 13 13 15 17 -0.759 0.0 1 -0.282 180.0 2 0.680 0.0 3
torsion 36 13 15 17 0.000 0.0 1 0.000 180.0 2 0.480 0.0 3
torsion 13 13 16 13 0.925 0.0 1 -0.576 180.0 2 0.677 0.0 3
torsion 13 13 16 16 1.941 0.0 1 -0.836 180.0 2 0.935 0.0 3
torsion 36 13 16 13 0.000 0.0 1 0.000 180.0 2 0.647 0.0 3
torsion 36 13 16 16 0.000 0.0 1 0.000 180.0 2 0.558 0.0 3
torsion 36 13 16 38 0.000 0.0 1 0.000 180.0 2 0.647 0.0 3
torsion 0 13 18 19 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 18 19 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 13 19 18 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 13 19 19 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 19 19 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 19 19 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 13 29 13 -0.521 0.0 1 -2.018 180.0 2 1.996 0.0 3
torsion 46 13 29 13 -0.500 0.0 1 -1.500 180.0 2 1.000 0.0 3
torsion 47 13 29 13 -0.500 0.0 1 -1.500 180.0 2 1.000 0.0 3
torsion 13 13 29 3 -1.220 0.0 1 -0.126 180.0 2 0.422 0.0 3
torsion 13 13 29 13 0.650 0.0 1 -0.250 180.0 2 0.670 0.0 3
torsion 13 13 29 54 -1.420 0.0 1 -0.620 180.0 2 0.100 0.0 3
torsion 36 13 29 0 0.000 0.0 1 0.000 180.0 2 0.760 0.0 3
torsion 36 13 29 3 0.000 0.0 1 0.000 180.0 2 0.198 0.0 3
torsion 36 13 29 37 0.000 0.0 1 0.000 180.0 2 0.760 0.0 3
torsion 36 13 29 38 0.000 0.0 1 0.000 180.0 2 0.760 0.0 3
torsion 36 13 29 41 0.000 0.0 1 0.000 180.0 2 0.760 0.0 3
torsion 36 13 29 54 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 13 13 33 13 0.416 0.0 1 -0.128 180.0 2 0.695 0.0 3
#torsion 13 13 33 13 1.536 0.0 1 -0.128 180.0 2 0.695 0.0 3
#torsion 13 13 33 13 1.464 0.0 1 -0.128 180.0 2 0.695 0.0 3
torsion 13 13 33 34 -0.190 0.0 1 -0.417 180.0 2 0.418 0.0 3
#torsion 13 13 33 34 0.000 0.0 1 4.000 180.0 2 0.000 0.0 3
#torsion 13 13 33 34 0.200 0.0 1 -0.417 180.0 2 0.418 0.0 3
#torsion 13 13 33 34 0.819 0.0 1 -0.417 180.0 2 0.418 0.0 3
#torsion 13 13 33 34 1.522 0.0 1 -0.417 180.0 2 0.418 0.0 3
torsion 36 13 33 13 0.000 0.0 1 0.000 180.0 2 0.560 0.0 3
torsion 36 13 33 34 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3
torsion 36 13 33 38 0.000 0.0 1 0.000 180.0 2 0.560 0.0 3
torsion 0 13 35 34 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 3 13 35 3 -2.365 0.0 1 0.912 180.0 2 -0.850 0.0 3
torsion 3 13 35 13 -1.737 0.0 1 1.251 180.0 2 -3.501 0.0 3
torsion 3 13 35 34 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 35 3 0.000 0.0 1 0.462 180.0 2 0.000 0.0 3
#torsion 13 13 35 3 -1.396 0.0 1 -0.427 180.0 2 0.000 0.0 3
#torsion 13 13 35 3 1.130 0.0 1 -1.420 180.0 2 0.440 0.0 3
torsion 13 13 35 13 4.753 0.0 1 -0.734 180.0 2 0.000 0.0 3
#torsion 13 13 35 13 2.859 0.0 1 2.058 180.0 2 -11.266 0.0 3
torsion 13 13 35 34 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 35 49 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 35 69 2.929 0.0 1 -2.533 180.0 2 0.497 0.0 3
torsion 13 13 35 81 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 36 13 35 3 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
#torsion 36 13 35 3 0.000 0.0 1 0.000 180.0 2 -0.139 0.0 3
torsion 36 13 35 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 35 34 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 35 38 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 35 69 1.362 0.0 1 -1.457 180.0 2 0.149 0.0 3
torsion 38 13 35 49 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 13 37 13 1.711 0.0 1 -0.500 180.0 2 0.663 0.0 3
torsion 0 13 37 36 0.000 0.0 1 0.000 180.0 2 0.468 0.0 3
torsion 0 13 37 37 0.500 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 13 37 40 0.500 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 1 13 37 37 0.500 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 37 13 2.817 0.0 1 -0.169 180.0 2 0.543 0.0 3
torsion 13 13 37 37 0.346 0.0 1 0.405 180.0 2 -0.904 0.0 3
torsion 13 13 37 40 0.346 0.0 1 0.405 180.0 2 -0.904 0.0 3
torsion 36 13 37 13 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 36 13 37 36 0.000 0.0 1 0.000 180.0 2 0.318 0.0 3
torsion 36 13 37 37 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 36 13 37 40 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 36 13 37 100 0.000 0.0 1 0.000 180.0 2 -0.250 0.0 3
torsion 37 13 37 13 0.000 0.0 1 -8.000 180.0 2 0.000 0.0 3
torsion 37 13 37 36 0.000 0.0 1 -8.000 180.0 2 0.000 0.0 3
torsion 0 13 38 38 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 1 13 38 38 0.000 0.0 1 0.450 180.0 2 0.000 0.0 3
torsion 13 13 38 38 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 38 46 -0.500 0.0 1 0.500 180.0 2 -0.500 0.0 3
torsion 30 13 38 38 0.000 0.0 1 -0.400 180.0 2 0.000 0.0 3
torsion 36 13 38 38 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 54 13 38 38 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 55 13 38 38 0.000 0.0 1 0.000 180.0 2 0.400 0.0 3
torsion 0 13 40 37 0.500 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 40 40 0.346 0.0 1 0.405 180.0 2 -0.904 0.0 3
torsion 36 13 40 37 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 36 13 40 40 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 36 13 40 99 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 13 13 41 0 1.711 0.0 1 -0.500 180.0 2 0.663 0.0 3
torsion 13 13 41 36 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 36 13 41 29 0.000 0.0 1 0.000 180.0 2 0.468 0.0 3
torsion 13 13 43 13 1.438 0.0 1 -0.124 180.0 2 0.264 0.0 3
torsion 13 13 43 34 0.000 0.0 1 0.000 180.0 2 0.347 0.0 3
torsion 36 13 43 13 0.000 0.0 1 0.000 180.0 2 0.302 0.0 3
torsion 36 13 43 34 0.000 0.0 1 0.000 180.0 2 0.261 0.0 3
torsion 36 13 43 38 0.000 0.0 1 0.000 180.0 2 0.462 0.0 3
torsion 36 13 43 44 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 13 13 45 34 -0.190 0.0 1 -0.417 180.0 2 0.418 0.0 3
torsion 13 13 45 38 1.829 0.0 1 0.243 180.0 2 -0.498 0.0 3
torsion 13 13 45 44 -0.190 0.0 1 -0.417 180.0 2 0.418 0.0 3
torsion 36 13 45 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 45 34 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 45 38 0.000 0.0 1 0.000 180.0 2 0.177 0.0 3
torsion 13 13 46 18 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 13 47 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 47 0 1.000 0.0 1 -0.350 180.0 2 0.000 0.0 3
#torsion 13 13 47 0 0.000 0.0 1 -0.576 180.0 2 0.000 0.0 3
torsion 13 13 47 52 2.756 0.0 1 -0.872 180.0 2 -3.680 0.0 3
#torsion 13 13 47 52 -1.000 0.0 1 -0.350 180.0 2 0.000 0.0 3
torsion 13 13 47 72 -1.000 0.0 1 -0.350 180.0 2 0.000 0.0 3
torsion 29 13 47 0 1.500 0.0 1 -1.500 180.0 2 0.000 0.0 3
#torsion 29 13 47 0 0.000 0.0 1 -1.876 180.0 2 0.000 0.0 3
torsion 29 13 47 52 -1.500 0.0 1 -1.500 180.0 2 0.000 0.0 3
torsion 29 13 47 72 -1.500 0.0 1 -1.500 180.0 2 0.000 0.0 3
torsion 13 13 49 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 49 46 0.000 0.0 1 0.500 180.0 2 -0.500 0.0 3
torsion 36 13 49 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 52 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 52 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 54 29 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3
torsion 36 13 54 42 0.000 0.0 1 0.000 180.0 2 0.250 0.0 3
torsion 38 13 54 29 2.250 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 38 13 54 42 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 13 69 32 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 13 69 35 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 69 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 69 32 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 69 5 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3
torsion 36 13 69 13 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3
torsion 36 13 69 32 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3
torsion 36 13 69 38 0.000 0.0 1 0.000 180.0 2 0.350 0.0 3
torsion 13 13 70 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 70 50 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 70 74 -0.714 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 70 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 70 50 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 70 74 0.000 0.0 1 0.000 180.0 2 -0.480 0.0 3
torsion 13 13 72 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 72 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 73 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 73 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 1 13 74 0 0.000 0.0 1 0.450 180.0 2 0.000 0.0 3
torsion 13 13 74 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 74 47 1.700 0.0 1 -0.600 180.0 2 0.000 0.0 3
torsion 30 13 74 0 0.000 0.0 1 -0.400 180.0 2 0.000 0.0 3
torsion 36 13 74 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 1 13 77 0 0.000 0.0 1 0.450 180.0 2 0.000 0.0 3
torsion 13 13 77 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 30 13 77 0 0.000 0.0 1 -0.400 180.0 2 0.000 0.0 3
torsion 36 13 77 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 78 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 78 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 13 80 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 80 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 81 81 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 13 13 85 13 0.000 0.0 1 -1.000 180.0 2 0.000 0.0 3
torsion 13 13 85 36 0.000 0.0 1 -1.000 180.0 2 0.000 0.0 3
torsion 13 13 92 93 0.000 0.0 1 0.400 180.0 2 0.000 0.0 3
torsion 36 13 92 93 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 94 13 1.000 0.0 1 -0.500 180.0 2 0.500 0.0 3
torsion 36 13 94 13 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 0 13 95 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 95 0 1.000 0.0 1 -0.350 180.0 2 0.000 0.0 3
torsion 13 13 95 52 -1.000 0.0 1 -0.350 180.0 2 0.000 0.0 3
torsion 13 13 95 72 -1.000 0.0 1 -0.350 180.0 2 0.000 0.0 3
torsion 29 13 95 0 1.500 0.0 1 -1.500 180.0 2 0.000 0.0 3
torsion 29 13 95 52 3.132 0.0 1 -1.491 180.0 2 2.744 0.0 3
#torsion 29 13 95 52 -1.500 0.0 1 -1.500 180.0 2 0.000 0.0 3
torsion 29 13 95 72 -1.500 0.0 1 -1.500 180.0 2 0.000 0.0 3
torsion 3 13 97 13 -1.737 0.0 1 1.251 180.0 2 -3.501 0.0 3
torsion 13 13 97 3 -1.396 0.0 1 -0.427 180.0 2 0.000 0.0 3
torsion 13 13 97 13 4.753 0.0 1 -0.734 180.0 2 0.000 0.0 3
#torsion 13 13 97 13 2.859 0.0 1 2.058 180.0 2 -11.266 0.0 3
torsion 36 13 97 3 0.000 0.0 1 0.000 180.0 2 -0.139 0.0 3
torsion 36 13 97 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 97 38 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 98 13 1.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 98 34 0.000 0.0 1 0.000 180.0 2 0.260 0.0 3
torsion 36 13 98 13 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3
torsion 36 13 98 29 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 13 98 34 0.000 0.0 1 0.000 180.0 2 0.180 0.0 3
torsion 13 13 99 99 0.346 0.0 1 0.405 180.0 2 -0.904 0.0 3
torsion 36 13 99 13 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 36 13 99 36 0.000 0.0 1 0.000 180.0 2 0.318 0.0 3
torsion 36 13 99 99 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 17 15 38 0 0.000 0.0 1 1.100 180.0 2 0.000 0.0 3
#torsion 17 15 38 0 -3.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 17 15 38 38 0.000 0.0 1 1.100 180.0 2 0.000 0.0 3
torsion 13 16 16 13 0.000 0.0 1 -7.414 180.0 2 1.705 0.0 3
torsion 13 16 38 38 0.000 0.0 1 0.600 180.0 2 0.000 0.0 3
torsion 13 16 38 46 1.600 0.0 1 5.100 180.0 2 0.000 0.0 3
torsion 13 16 49 46 0.000 0.0 1 4.800 180.0 2 0.000 0.0 3
torsion 74 16 72 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 74 16 72 51 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 72 16 74 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 72 16 74 73 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 72 16 74 78 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 16 81 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 19 18 38 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 19 18 38 38 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 18 18 46 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 18 18 46 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 19 19 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 19 19 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 19 19 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 19 19 37 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 19 19 99 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 19 19 37 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 19 19 99 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 19 19 37 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 19 19 37 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 19 19 37 37 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 29 33 13 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 13 29 33 34 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 13 29 37 13 0.650 0.0 1 -0.250 180.0 2 0.670 0.0 3
torsion 13 29 37 36 0.000 0.0 1 0.000 180.0 2 0.760 0.0 3
torsion 13 29 37 37 -3.500 0.0 1 3.000 180.0 2 0.000 0.0 3
torsion 13 29 37 40 -3.500 0.0 1 3.000 180.0 2 0.000 0.0 3
torsion 3 29 38 38 0.000 0.0 1 2.500 180.0 2 0.000 0.0 3
torsion 13 29 38 38 0.000 0.0 1 3.000 180.0 2 0.000 0.0 3
torsion 13 29 38 46 0.400 0.0 1 5.500 180.0 2 0.000 0.0 3
torsion 54 29 38 38 0.000 0.0 1 2.990 180.0 2 0.000 0.0 3
torsion 13 29 41 5 -0.375 0.0 1 -1.358 180.0 2 0.004 0.0 3
torsion 13 29 41 13 0.650 0.0 1 -0.250 180.0 2 0.670 0.0 3
torsion 13 29 41 29 -0.375 0.0 1 -1.358 180.0 2 0.004 0.0 3
torsion 13 29 41 36 0.000 0.0 1 0.000 180.0 2 0.760 0.0 3
torsion 13 29 46 3 3.000 0.0 1 3.000 180.0 2 0.000 0.0 3
torsion 13 29 49 46 0.000 0.0 1 5.200 180.0 2 0.000 0.0 3
torsion 0 29 54 42 0.000 0.0 1 0.000 180.0 2 0.562 0.0 3
torsion 13 29 54 13 3.500 0.0 1 -3.300 180.0 2 1.500 0.0 3
torsion 13 29 54 42 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
#torsion 13 29 54 42 0.900 0.0 1 -2.930 180.0 2 2.640 0.0 3
torsion 38 29 54 4 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 74 29 72 51 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 72 29 74 78 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 74 29 74 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 74 29 74 77 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 98 29 98 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 98 29 98 29 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 33 33 13 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 13 33 33 34 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 34 33 33 34 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 13 33 38 38 -7.582 0.0 1 3.431 180.0 2 3.198 0.0 3
torsion 34 33 38 38 0.000 0.0 1 2.030 180.0 2 0.000 0.0 3
torsion 49 33 38 38 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 72 33 38 38 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 74 33 38 38 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 34 33 72 16 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 34 33 72 51 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 38 33 72 16 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 38 33 72 51 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 0 35 38 38 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 3 35 38 38 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 13 35 38 38 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 34 35 38 38 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 49 35 38 38 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 72 35 38 38 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 74 35 38 38 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 0 35 49 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 35 49 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 34 35 49 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 35 50 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 35 69 32 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 35 69 38 2.074 0.0 1 -2.966 180.0 2 2.473 0.0 3
torsion 34 35 69 38 1.671 0.0 1 -4.901 180.0 2 0.669 0.0 3
torsion 13 35 72 51 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 34 35 72 16 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
#torsion 34 35 72 16 0.000 0.0 1 2.030 180.0 2 0.000 0.0 3
torsion 34 35 72 29 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
#torsion 34 35 72 29 0.000 0.0 1 2.030 180.0 2 0.000 0.0 3
torsion 34 35 72 51 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 38 35 72 16 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 38 35 72 29 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 38 35 72 51 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 0 35 74 0 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 3 35 74 74 0.000 0.0 1 3.000 180.0 2 0.000 0.0 3
torsion 34 35 74 16 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 34 35 74 29 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 38 35 74 16 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 38 35 74 29 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 3 35 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 3 35 76 46 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 3 35 76 76 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 37 35 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 37 35 76 46 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 0 35 77 0 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 0 35 78 0 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 3 35 81 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 3 35 81 79 -1.396 0.0 1 -0.427 180.0 2 0.000 0.0 3
torsion 3 35 81 81 -1.396 0.0 1 -0.427 180.0 2 0.000 0.0 3
torsion 34 35 81 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 34 35 81 79 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 34 35 81 81 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 35 96 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 37 36 37 13 0.000 0.0 1 -8.000 180.0 2 0.000 0.0 3
torsion 37 36 37 36 0.000 0.0 1 -8.000 180.0 2 0.000 0.0 3
torsion 0 37 37 0 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 0 37 37 19 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 3 37 37 35 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 3 37 37 36 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 5 37 37 13 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 5 37 37 36 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 37 37 13 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 37 37 19 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 37 37 29 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 37 37 36 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 19 37 37 36 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 29 37 37 36 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 30 37 37 30 -1.600 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 30 37 37 36 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 36 37 37 36 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 36 37 37 38 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 37 38 38 0.205 0.0 1 -0.531 180.0 2 0.000 0.0 3
torsion 36 37 38 38 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 36 37 38 46 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 37 37 38 38 1.241 0.0 1 3.353 180.0 2 -0.286 0.0 3
torsion 13 37 40 13 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 37 40 36 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 37 40 38 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 37 40 40 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 37 40 99 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 35 37 40 3 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 36 37 40 13 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 36 37 40 36 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 36 37 40 38 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 36 37 40 40 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 36 37 40 99 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 0 37 74 0 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 0 37 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 3 37 76 76 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 37 76 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 37 76 35 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 37 77 0 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 0 37 78 0 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 13 37 100 37 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 37 100 37 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 38 38 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 38 38 13 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 38 38 38 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 38 38 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 1 38 38 38 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 1 38 38 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 13 38 38 13 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 13 38 38 38 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 13 38 38 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 13 38 38 40 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 30 38 38 38 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 30 38 38 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 33 38 38 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 37 38 38 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 38 38 38 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 38 38 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 38 38 40 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 38 38 45 0.0 0. 1 1.62 180. 2 0.0 0. 3 -0.44 180. 4
torsion 38 38 38 50 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 38 38 55 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 38 38 56 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 38 38 76 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 38 38 99 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 38 38 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 38 38 40 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 38 38 50 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 38 38 55 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 38 38 56 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 38 38 76 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 38 38 99 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 46 38 38 76 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 38 40 36 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 38 38 40 37 1.241 0.0 1 3.353 180.0 2 -0.286 0.0 3
torsion 46 38 40 36 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 46 38 40 37 1.241 0.0 1 3.353 180.0 2 -0.286 0.0 3
torsion 38 38 43 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 38 38 43 44 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 38 45 34 0.000 0.0 1 2.030 180.0 2 0.000 0.0 3
torsion 38 38 45 34 0.000 0.0 1 3.900 180.0 2 0.000 0.0 3
torsion 45 38 45 13 0.000 0.0 1 7.936 180.0 2 0.000 0.0 3
torsion 45 38 45 34 0.000 0.0 1 3.900 180.0 2 0.000 0.0 3
torsion 50 38 45 34 0.000 0.0 1 2.030 180.0 2 0.000 0.0 3
torsion 0 38 46 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 38 46 38 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 38 46 38 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 38 50 0 0.000 0.0 1 7.000 180.0 2 0.000 0.0 3
torsion 0 38 69 32 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 38 38 69 13 0.000 0.0 1 -0.900 180.0 2 0.000 0.0 3
torsion 38 38 69 35 1.656 0.0 1 -0.768 180.0 2 -0.117 0.0 3
torsion 38 38 76 38 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 38 76 46 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 38 76 76 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 38 76 38 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 38 76 46 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 38 76 76 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 46 38 76 38 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 46 38 76 76 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 38 78 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 46 38 91 13 0.000 0.0 1 3.651 180.0 2 0.000 0.0 3
torsion 38 38 92 93 0.000 0.0 1 1.150 180.0 2 0.000 0.0 3
torsion 38 38 99 13 0.205 0.0 1 -0.531 180.0 2 0.000 0.0 3
torsion 38 38 99 36 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 38 38 99 99 1.241 0.0 1 3.353 180.0 2 -0.286 0.0 3
torsion 0 40 40 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 3 40 40 3 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 13 40 40 13 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 13 40 40 36 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 13 40 40 37 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
#torsion 13 40 40 37 0.900 0.0 1 0.230 180.0 2 -0.505 0.0 3
torsion 36 40 40 36 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 36 40 40 37 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 37 40 40 37 1.423 0.0 1 4.055 180.0 2 0.858 0.0 3
torsion 13 40 99 13 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 13 40 99 99 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 36 40 99 13 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 36 40 99 36 0.000 0.0 1 0.000 180.0 2 0.300 0.0 3
torsion 36 40 99 99 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 37 40 99 13 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 37 40 99 36 0.000 0.0 1 0.000 180.0 2 -0.372 0.0 3
torsion 37 40 99 99 1.423 0.0 1 4.055 180.0 2 0.858 0.0 3
torsion 13 43 72 51 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 38 43 72 51 0.000 0.0 1 2.100 180.0 2 0.000 0.0 3
torsion 34 45 49 0 0.000 0.0 1 2.030 180.0 2 0.000 0.0 3
torsion 13 46 46 13 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 13 46 46 38 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 46 46 38 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 46 49 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 46 49 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 46 50 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 46 52 0 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3
torsion 0 46 72 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
#torsion 0 46 72 0 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3
torsion 38 46 76 38 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 46 76 76 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 47 50 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 34 47 50 0 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3
torsion 0 47 51 0 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3
torsion 0 47 52 0 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3
torsion 0 47 71 0 0.000 0.0 1 3.050 180.0 2 0.000 0.0 3
torsion 0 47 72 0 0.000 0.0 1 4.650 180.0 2 0.000 0.0 3
#torsion 0 47 72 0 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3
torsion 0 47 72 39 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3
torsion 34 47 72 0 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3
torsion 0 47 74 0 0.000 0.0 1 2.800 180.0 2 0.000 0.0 3
#torsion 0 47 74 0 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3
#torsion 0 47 74 0 0.000 0.0 1 3.000 180.0 2 0.000 0.0 3
torsion 34 47 74 0 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3
torsion 51 47 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 74 47 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 0 50 50 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 50 51 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 50 70 0 0.000 0.0 1 3.350 180.0 2 0.000 0.0 3
torsion 0 50 71 0 0.000 0.0 1 6.000 180.0 2 0.000 0.0 3
torsion 0 50 77 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 50 77 74 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 50 50 77 74 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 51 51 0 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3
torsion 0 51 52 0 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3
torsion 0 51 72 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
#torsion 0 51 72 0 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3
torsion 0 51 72 39 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3
torsion 73 51 72 16 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 78 51 72 16 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 78 51 72 29 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 51 73 0 0.000 0.0 1 4.800 180.0 2 0.000 0.0 3
torsion 72 51 73 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 72 51 73 74 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 51 74 0 0.000 0.0 1 10.000 180.0 2 0.000 0.0 3
torsion 0 51 78 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 72 51 78 74 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 70 74 0 0.000 0.0 1 13.050 180.0 2 0.000 0.0 3
torsion 0 72 74 0 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 16 72 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 29 72 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 47 72 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 51 72 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 0 72 77 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
#torsion 0 72 77 0 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 0 73 74 0 0.000 0.0 1 10.750 180.0 2 0.000 0.0 3
torsion 0 73 74 39 0.000 0.0 1 10.750 180.0 2 0.000 0.0 3
torsion 39 73 74 0 0.000 0.0 1 10.750 180.0 2 0.000 0.0 3
torsion 39 73 74 16 0.000 0.0 1 10.750 180.0 2 0.000 0.0 3
torsion 39 73 74 39 0.000 0.0 1 10.750 180.0 2 0.000 0.0 3
torsion 51 73 74 16 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 51 73 74 29 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 51 73 74 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 73 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 51 73 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 51 73 77 0 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 74 73 77 0 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 0 74 74 0 0.000 0.0 1 10.750 180.0 2 0.000 0.0 3
torsion 0 74 74 39 0.000 0.0 1 10.750 180.0 2 0.000 0.0 3
torsion 16 74 74 39 0.000 0.0 1 10.750 180.0 2 0.000 0.0 3
torsion 39 74 74 39 0.000 0.0 1 10.750 180.0 2 0.000 0.0 3
torsion 0 74 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 16 74 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 29 74 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 47 74 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 0 74 77 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 74 77 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 74 77 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 74 78 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 16 74 78 39 0.000 0.0 1 10.750 180.0 2 0.000 0.0 3
torsion 16 74 78 51 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 29 74 78 51 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 74 78 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 39 74 78 51 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 38 76 76 38 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 38 76 76 46 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 38 76 77 0 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 38 76 78 0 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 38 76 78 51 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 46 76 78 0 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 0 77 77 29 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 0 77 77 47 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 0 77 77 77 0.000 0.0 1 2.170 180.0 2 0.000 0.0 3
torsion 39 77 77 39 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 4 79 80 13 0.000 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 4 79 80 34 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 4 79 80 38 0.000 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 4 79 80 81 0.000 0.0 1 20.000 180.0 2 0.000 0.0 3
torsion 81 79 80 13 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 81 79 80 34 0.000 0.0 1 4.900 180.0 2 0.000 0.0 3
torsion 81 79 80 38 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 81 79 80 81 2.300 0.0 1 6.089 180.0 2 0.000 0.0 3
torsion 0 79 81 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 4 79 81 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 4 79 81 81 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 80 79 81 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 80 79 81 81 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 80 81 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 80 81 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 80 81 81 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 81 81 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 81 81 35 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 81 81 13 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 81 81 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 81 81 36 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 36 81 81 81 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 81 81 81 81 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 0 99 99 0 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 99 99 13 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 99 99 36 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 99 99 38 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 99 99 40 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 13 99 99 99 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 36 99 99 36 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 36 99 99 38 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 36 99 99 40 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 36 99 99 99 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 38 99 99 38 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 38 99 99 40 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 38 99 99 99 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 40 99 99 40 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 40 99 99 99 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3
torsion 99 99 99 99 1.423 0.0 1 4.055 180.0 2 0.858 0.0 3
################################################################
## ##
## Additional Torsional Parameter Values Used with OPLS-AA ##
## ##
## The torsions listed below were added to official OPLS-AA ##
## to complete the set needed for proteins; the values were ##
## obtained by analogy from the closest OPLS-AA torsions; ##
## most of the added values are for HIP or N-terminal AAs ##
## ##
################################################################
torsion 35 3 13 43 1.816 0.0 1 1.222 180.0 2 1.581 0.0 3
torsion 42 3 13 35 0.000 0.0 1 0.820 180.0 2 0.000 0.0 3
torsion 3 13 13 43 1.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 3 13 13 73 -1.697 0.0 1 -0.456 180.0 2 0.585 0.0 3
torsion 3 13 13 74 -1.697 0.0 1 -0.456 180.0 2 0.585 0.0 3
torsion 3 13 13 75 -1.697 0.0 1 -0.456 180.0 2 0.585 0.0 3
torsion 5 13 13 43 6.280 0.0 1 -1.467 180.0 2 2.030 0.0 3
torsion 15 13 13 43 1.428 0.0 1 0.086 180.0 2 0.029 0.0 3
torsion 16 13 13 43 1.428 0.0 1 0.086 180.0 2 0.029 0.0 3
torsion 13 13 13 45 2.732 0.0 1 -0.229 180.0 2 0.485 0.0 3
torsion 35 13 13 73 0.845 0.0 1 -0.962 180.0 2 0.713 0.0 3
torsion 43 13 13 73 1.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 35 13 13 74 0.845 0.0 1 -0.962 180.0 2 0.713 0.0 3
torsion 43 13 13 74 1.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 35 13 13 75 0.845 0.0 1 -0.962 180.0 2 0.713 0.0 3
torsion 36 13 13 75 0.000 0.0 1 0.000 180.0 2 0.462 0.0 3
torsion 43 13 13 75 1.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 3 13 43 13 1.438 0.0 1 -0.124 180.0 2 0.264 0.0 3
torsion 3 13 43 44 0.000 0.0 1 0.000 180.0 2 0.347 0.0 3
torsion 13 13 43 44 0.000 0.0 1 0.000 180.0 2 0.347 0.0 3
torsion 36 13 45 44 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 75 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 13 13 75 47 1.700 0.0 1 -0.600 180.0 2 0.000 0.0 3
torsion 36 13 75 0 0.000 0.0 1 0.000 180.0 2 0.000 0.0 3
torsion 45 38 45 44 0.000 0.0 1 3.900 180.0 2 0.000 0.0 3
torsion 0 38 71 0 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3
torsion 0 47 75 0 0.000 0.0 1 5.000 180.0 2 0.000 0.0 3
torsion 0 75 75 0 0.000 0.0 1 10.750 180.0 2 0.000 0.0 3
########################################
## ##
## Atomic Partial Charge Parameters ##
## ##
########################################
charge 1 -0.2200
charge 2 0.2200
charge 3 0.5500
charge 4 -0.5000
charge 5 -0.5800
charge 6 0.0800
charge 7 0.4500
charge 8 0.0000
charge 9 0.0000
charge 10 0.0000
charge 11 0.0000
charge 12 0.0000
charge 13 0.0000
charge 14 0.0000
charge 15 0.0000
charge 16 0.0000
charge 17 0.0000
charge 18 0.0000
charge 19 0.0000
charge 20 -0.7000
charge 21 0.4350
charge 22 0.2650
charge 23 0.2650
charge 24 -0.4700
charge 25 -0.4500
charge 26 -0.4700
charge 27 -0.3000
charge 28 0.2350
charge 29 0.2700
charge 30 0.1800
charge 31 0.1800
charge 32 0.2350
charge 33 0.2350
charge 34 0.3000
charge 35 0.3000
charge 36 -0.4300
charge 37 0.2800
charge 38 0.1500
charge 39 0.0000
charge 40 0.2410
charge 41 -0.2410
charge 42 0.0000
charge 43 0.0000
charge 44 0.0000
charge 45 0.0000
charge 46 0.0000
charge 47 0.0000
charge 48 0.2650
charge 49 0.2650
charge 50 -0.5000
charge 51 0.2500
charge 52 0.2500
charge 53 -0.8340
charge 54 0.4170
charge 55 0.0000
charge 56 0.5200
charge 57 -1.0400
charge 58 -0.8220
charge 59 0.4110
charge 60 0.5000
charge 61 -0.2500
charge 62 0.4200
charge 63 -0.1400
charge 64 0.2480
charge 65 -0.0620
charge 66 0.1390
charge 67 -0.4590
charge 68 0.1600
charge 69 -1.0200
charge 70 0.3400
charge 71 -0.5000
charge 72 -0.5700
charge 73 0.5000
charge 74 0.2850
charge 75 -0.8200
charge 76 0.4100
charge 77 -0.1800
charge 78 -0.1200
charge 79 -0.0600
charge 80 -0.2400
charge 81 0.0000
charge 82 0.0600
charge 83 0.0000
charge 84 -0.1150
charge 85 -0.2300
charge 86 0.1150
charge 87 -0.1150
charge 88 0.1150
charge 89 0.0000
charge 90 -0.0650
charge 91 -0.0050
charge 92 -0.1150
charge 93 -0.6830
charge 94 0.4180
charge 95 0.0400
charge 96 0.1450
charge 97 0.2050
charge 98 0.2650
charge 99 0.1263
charge 100 0.5323
charge 101 -0.6351
charge 102 0.4286
charge 103 -0.2057
charge 104 0.0825
charge 105 0.1500
charge 106 -0.5850
charge 107 0.4350
charge 108 -0.7000
charge 109 0.4350
charge 110 -0.7300
charge 111 0.4650
charge 112 0.1450
charge 113 0.2050
charge 114 0.2650
charge 115 0.0600
charge 116 -0.1700
charge 117 0.0000
charge 118 -0.2850
charge 119 -0.4000
charge 120 0.1100
charge 121 0.1400
charge 122 0.1700
charge 123 0.2000
charge 124 0.0300
charge 125 -0.4000
charge 126 -0.7000
charge 127 0.4350
charge 128 0.2000
charge 129 0.1000
charge 130 0.2650
charge 131 0.1000
charge 132 0.3000
charge 133 0.1000
charge 134 0.3650
charge 135 0.1000
charge 136 0.4000
charge 137 0.4650
charge 138 0.0850
charge 139 -0.3350
charge 140 -0.4700
charge 141 -0.4350
charge 142 -0.2175
charge 143 0.1550
charge 144 0.2350
charge 145 0.0600
charge 146 0.1200
charge 147 0.1800
charge 148 0.0375
charge 149 0.0975
charge 150 0.1575
charge 151 0.2175
charge 152 0.0375
charge 153 0.0975
charge 154 0.1575
charge 155 0.2175
charge 156 0.0000
charge 157 0.2000
charge 158 0.2600
charge 159 0.3200
charge 160 -0.0550
charge 161 -0.3200
charge 162 0.0800
charge 163 0.1400
charge 164 0.2000
charge 165 -0.1200
charge 166 0.0050
charge 167 0.1025
charge 168 0.1400
charge 169 0.2000
charge 170 0.7000
charge 171 0.5650
charge 172 0.5850
charge 173 0.6150
charge 174 0.5000
charge 175 -0.5000
charge 176 -0.7600
charge 177 -0.5000
charge 178 -0.1400
charge 179 0.3800
charge 180 0.3000
charge 181 0.0200
charge 182 -0.1100
charge 183 0.0800
charge 184 -0.0500
charge 185 0.0100
charge 186 0.1420
charge 187 -0.3900
charge 188 -0.5420
charge 189 0.3330
charge 190 -0.4900
charge 191 0.4200
charge 192 -0.4200
charge 193 0.3700
charge 194 0.0600
charge 195 -0.1200
charge 196 -0.0600
charge 197 0.0000
charge 198 0.0600
charge 199 0.0350
charge 200 0.3950
charge 201 -0.4300
charge 202 0.1800
charge 203 -0.1800
charge 204 -0.3850
charge 205 0.0850
charge 206 0.5200
charge 207 -0.5300
charge 208 -0.4400
charge 209 0.4500
charge 210 0.7000
charge 211 -0.8000
charge 212 -0.2800
charge 213 -0.2200
charge 214 -0.1600
charge 215 -0.1000
charge 216 0.4500
charge 217 -0.4500
charge 218 0.0000
charge 219 0.4700
charge 220 -0.4700
charge 221 0.0600
charge 222 0.0400
charge 223 -0.0200
charge 224 0.1000
charge 225 -0.0900
charge 226 -0.4000
charge 227 -0.3000
charge 228 0.0000
charge 229 0.3500
charge 230 0.3300
charge 231 0.1300
charge 232 0.1900
charge 233 0.2500
charge 234 0.3100
charge 235 0.2300
charge 236 0.1700
charge 237 0.1100
charge 238 0.0900
charge 239 0.1500
charge 240 -0.8000
charge 241 0.4600
charge 242 0.6400
charge 243 -0.7000
charge 244 0.4400
charge 245 0.2000
charge 246 -0.1100
charge 247 0.1900
charge 248 -0.0500
charge 249 -0.2000
charge 250 0.3100
charge 251 -0.4600
charge 252 0.3600
charge 253 -0.8500
charge 254 0.3700
charge 255 -0.1500
charge 256 0.1000
charge 257 -0.0400
charge 258 0.1000
charge 259 -0.6000
charge 260 0.5000
charge 261 -0.5100
charge 262 0.4500
charge 263 -0.0700
charge 264 0.0800
charge 265 0.4100
charge 266 -0.4000
charge 267 0.3600
charge 268 -0.4200
charge 269 0.1000
charge 270 0.1000
charge 271 -0.1400
charge 272 0.0800
charge 273 -0.5600
charge 274 0.5500
charge 275 -0.5400
charge 276 0.4600
charge 277 -0.0600
charge 278 0.1000
charge 279 0.3800
charge 280 -0.4800
charge 281 -0.7900
charge 282 0.3850
charge 283 0.3550
charge 284 0.1000
charge 285 0.1000
charge 286 -0.5300
charge 287 0.2200
charge 288 -0.5500
charge 289 0.3800
charge 290 0.1500
charge 291 0.4400
charge 292 -0.4900
charge 293 0.2000
charge 294 -0.5000
charge 295 0.2000
charge 296 -0.8100
charge 297 0.3850
charge 298 0.3550
charge 299 0.2000
charge 300 0.3500
charge 301 -0.5600
charge 302 0.4600
charge 303 -0.5100
charge 304 0.3400
charge 305 0.1200
charge 306 0.5200
charge 307 0.3800
charge 308 -0.8000
charge 309 0.4000
charge 310 -0.5100
charge 311 -0.0100
charge 312 0.1200
charge 313 -0.0100
charge 314 0.1400
charge 315 -0.0100
charge 316 0.1300
charge 317 -0.6400
charge 318 0.6500
charge 319 -0.7400
charge 320 0.6600
charge 321 -0.0600
charge 322 0.1000
charge 323 0.4900
charge 324 -0.3000
charge 325 0.4800
charge 326 -0.8100
charge 327 0.4600
charge 328 0.4300
charge 329 0.1400
charge 330 0.1400
charge 331 0.0100
charge 332 0.1600
charge 333 0.7800
charge 334 -0.6600
charge 335 -0.4300
charge 336 0.2000
charge 337 0.1800
charge 338 -0.0600
charge 339 0.1200
charge 340 -1.0000
charge 341 -1.0000
charge 342 -1.0000
charge 343 -1.0000
charge 344 1.0000
charge 345 1.0000
charge 346 1.0000
charge 347 1.0000
charge 348 1.0000
charge 349 1.0000
charge 350 2.0000
charge 351 2.0000
charge 352 2.0000
charge 353 2.0000
charge 354 -0.4000
charge 355 0.1000
charge 356 -0.9000
charge 357 -0.2000
charge 358 0.0600
charge 359 -0.9800
charge 360 -1.0700
charge 361 0.1900
charge 362 0.5100
charge 363 -0.8200
charge 364 -0.3000
charge 365 0.0700
charge 366 -1.3100
charge 367 0.4000
charge 368 -0.4000
charge 369 0.0800
charge 370 0.0000
charge 371 0.0700
charge 372 -0.9800
charge 373 -1.3000
charge 374 0.3000
charge 375 2.5000
charge 376 -0.2500
charge 377 -0.8650
charge 378 1.6200
charge 379 -0.9200
charge 380 -0.6000
charge 381 0.3000
charge 382 -0.0300
charge 383 1.9200
charge 384 -1.1200
charge 385 -0.7000
charge 386 0.4400
charge 387 -0.1000
charge 388 1.6200
charge 389 -0.9700
charge 390 -0.6300
charge 391 0.2800
charge 392 -0.0200
charge 393 -0.5100
charge 394 0.0800
charge 395 -0.1400
charge 396 0.3200
charge 397 0.0200
charge 398 -0.0400
charge 399 -0.4700
charge 400 0.1200
charge 401 0.1400
charge 402 0.2400
charge 403 0.5100
charge 404 -0.4300
charge 405 -0.3300
charge 406 0.1600
charge 407 0.0300
charge 408 0.6350
charge 409 0.6250
charge 410 0.1350
charge 411 -0.2150
charge 412 1.4800
charge 413 -0.6800
charge 414 -0.5400
charge 415 0.1800
charge 416 -1.0000
charge 417 0.4400
charge 418 -0.8000
charge 419 0.4100
charge 420 0.1800
charge 421 0.0300
charge 422 0.3900
charge 423 -0.0600
charge 424 -0.1800
charge 425 0.0600
charge 426 0.0000
charge 427 0.0300
charge 428 0.1900
charge 429 0.2200
charge 430 0.2500
charge 431 1.3740
charge 432 -0.6870
charge 433 0.2450
charge 434 0.1300
charge 435 -0.4200
charge 436 -0.0350
charge 437 0.0250
charge 438 0.0750
charge 439 -0.0550
charge 440 0.1300
charge 441 -0.5700
charge 442 0.4200
charge 443 -0.0050
charge 444 0.2950
charge 445 -0.0150
charge 446 0.0150
charge 447 0.3850
charge 448 0.2150
charge 449 -0.4900
charge 450 -0.5400
charge 451 0.4600
charge 452 -0.1150
charge 453 0.0550
charge 454 0.1150
charge 455 -0.0300
charge 456 0.0850
charge 457 0.0000
charge 458 -0.6780
charge 459 0.4730
charge 460 -0.4470
charge 461 0.2270
charge 462 0.0120
charge 463 0.1550
charge 464 0.0650
charge 465 -0.4680
charge 466 0.1920
charge 467 0.0420
charge 468 -0.8390
charge 469 0.8740
charge 470 0.6530
charge 471 -0.6890
charge 472 -0.0320
charge 473 0.0110
charge 474 0.1970
charge 475 -0.3310
charge 476 0.3780
charge 477 -0.1600
charge 478 -0.0090
charge 479 0.1220
charge 480 -0.2390
charge 481 -0.1630
charge 482 -0.1490
charge 483 0.3170
charge 484 0.1550
charge 485 0.1180
charge 486 -0.0590
charge 487 -0.4910
charge 488 0.2460
charge 489 -0.3200
charge 490 -0.0340
charge 491 0.3010
charge 492 0.0720
charge 493 0.1500
charge 494 0.1350
charge 495 -0.2570
charge 496 0.2750
charge 497 -0.5630
charge 498 0.1850
charge 499 -0.2860
charge 500 0.3060
charge 501 0.0780
charge 502 0.0750
charge 503 0.1870
charge 504 -0.1900
charge 505 -0.0190
charge 506 -0.1540
charge 507 0.1420
charge 508 0.1260
charge 509 -0.2570
charge 510 0.5110
charge 511 -0.5900
charge 512 0.1690
charge 513 -0.1480
charge 514 0.0430
charge 515 0.0910
charge 516 0.1810
charge 517 -0.1220
charge 518 -0.4130
charge 519 0.4050
charge 520 -0.4550
charge 521 0.2500
charge 522 0.0530
charge 523 0.1840
charge 524 0.0980
charge 525 -0.5000
charge 526 0.0010
charge 527 -0.3900
charge 528 -0.2700
charge 529 -0.1270
charge 530 -0.1080
charge 531 -0.2580
charge 532 0.2200
charge 533 0.2250
charge 534 0.3760
charge 535 0.1470
charge 536 0.1720
charge 537 0.1550
charge 538 0.1070
charge 539 0.1100
charge 540 0.1400
charge 541 -0.6940
charge 542 0.4250
charge 543 -0.3590
charge 544 -0.0080
charge 545 -0.1970
charge 546 -0.1120
charge 547 -0.0700
charge 548 -0.3070
charge 549 0.5630
charge 550 -0.0510
charge 551 0.0280
charge 552 0.1460
charge 553 0.1190
charge 554 0.1330
charge 555 0.1130
charge 556 0.1140
charge 557 0.1570
charge 558 -0.7600
charge 559 0.6790
charge 560 -0.7880
charge 561 0.7360
charge 562 0.0380
charge 563 0.3430
charge 564 -0.6420
charge 565 0.4520
charge 566 -0.6820
charge 567 0.0240
charge 568 0.1010
charge 569 0.0860
charge 570 0.4130
charge 571 -0.0300
charge 572 0.2420
charge 573 -0.5150
charge 574 0.2280
charge 575 -0.2990
charge 576 0.1010
charge 577 0.0680
charge 578 0.2050
charge 579 -0.9510
charge 580 0.9650
charge 581 -0.0140
charge 582 0.1300
charge 583 0.0520
charge 584 -0.5990
charge 585 0.3920
charge 586 -0.3480
charge 587 0.0200
charge 588 -0.0420
charge 589 0.3470
charge 590 -0.1960
charge 591 0.0320
charge 592 0.1460
charge 593 0.1080
charge 594 0.1400
charge 595 0.1220
charge 596 0.1660
charge 597 -0.5800
charge 598 0.1730
charge 599 -0.3950
charge 600 -0.1990
charge 601 0.1180
charge 602 0.0930
charge 603 0.2080
charge 604 0.0980
charge 605 -0.1390
charge 606 -0.0790
charge 607 0.0990
charge 608 -0.1680
charge 609 -0.1080
charge 610 -0.1890
charge 611 -0.1290
charge 612 -0.1690
charge 613 -0.1090
charge 614 -0.1380
charge 615 -0.0780
charge 616 -0.0250
charge 617 0.0350
charge 618 -0.0380
charge 619 0.0220
charge 620 -0.3340
charge 621 0.2550
charge 622 0.5230
charge 623 0.5000
charge 624 -0.1400
charge 625 0.2275
charge 626 0.1400
charge 627 -0.0080
charge 628 0.5880
charge 629 -0.1030
charge 630 -0.3320
charge 631 0.0400
charge 632 0.3420
charge 633 -0.0500
charge 634 -0.2050
charge 635 3.0000
charge 636 4.0000
charge 637 3.0000
charge 638 0.6190
charge 639 -0.3950
charge 640 0.1740
charge 641 3.0000
charge 642 3.0000
charge 643 3.0000
charge 644 3.0000
charge 645 3.0000
charge 646 -0.3440
charge 647 -0.6280
charge 648 0.2000
charge 649 -0.1200
charge 650 -0.0600
charge 651 0.0000
charge 652 -0.2300
charge 653 0.0300
charge 654 -0.0990
charge 655 0.0990
charge 656 0.2200
charge 657 -0.2200
charge 658 0.1300
charge 659 -0.1300
charge 660 -0.2200
charge 661 0.2200
charge 662 0.1500
charge 663 0.4500
charge 664 -0.2000
charge 665 0.2000
charge 666 -0.2000
charge 667 0.2000
charge 668 -0.2000
charge 669 0.1000
charge 670 -0.1000
charge 671 0.0550
charge 672 -0.2200
charge 673 0.0650
charge 674 0.0130
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charge 676 -0.0900
charge 677 -0.1190
charge 678 0.1410
charge 679 0.1290
charge 680 0.8270
charge 681 -0.8850
charge 682 0.4260
charge 683 0.4650
charge 684 0.1190
charge 685 -0.0200
charge 686 0.0400
charge 687 -0.6200
charge 688 -0.7850
charge 689 -0.7850
charge 690 0.5500
charge 691 -0.5600
charge 692 0.4600
charge 693 -0.0800
charge 694 -0.0200
charge 695 0.0400
charge 696 0.1000
charge 697 0.0600
charge 698 0.5400
charge 699 -0.3700
charge 700 0.0200
charge 701 0.0600
charge 702 0.0800
charge 703 0.1400
charge 704 0.2000
charge 705 0.6500
charge 706 0.0900
charge 707 0.0350
charge 708 -0.9000
charge 709 -0.5000
charge 710 0.8600
charge 711 -0.4500
charge 712 0.2100
charge 713 0.1600
charge 714 -0.1000
charge 715 0.0300
charge 716 0.0300
charge 717 0.0600
charge 718 -0.7800
charge 719 0.9684
charge 720 -0.5081
charge 721 -0.0080
charge 722 0.1720
charge 723 1.3400
charge 724 -0.3900
charge 725 0.7940
charge 726 -0.5980
charge 727 0.0000
charge 728 0.5110
charge 729 -1.0220
charge 730 -0.9000
charge 731 -0.7800
charge 732 -0.6300
charge 733 0.0000
charge 734 0.0200
charge 735 0.0300
charge 736 0.0600
charge 737 0.0800
charge 738 0.0900
charge 739 0.3600
charge 740 0.3800
charge 741 0.0600
charge 742 0.1200
charge 743 0.1800
charge 744 0.1400
charge 745 0.1500
charge 746 0.1800
charge 747 0.2000
charge 748 0.2100
charge 749 0.1150
charge 750 0.1750
charge 751 0.2350
charge 752 0.1950
charge 753 0.1525
charge 754 0.1350
charge 755 -0.2100
charge 756 0.2000
charge 757 0.0100
charge 758 0.0100
charge 759 0.0100
charge 760 0.0600
charge 761 0.4500
charge 762 0.4800
charge 763 0.5100
charge 764 -0.6550
charge 765 0.3900
charge 766 -0.5000
charge 767 -0.5600
charge 768 -0.6000
charge 769 0.0000
charge 770 -0.1000
charge 771 0.2900
charge 772 0.0900
charge 773 0.1500
charge 774 0.2100
charge 775 0.2700
charge 776 0.0960
charge 777 -0.0390
charge 778 0.0270
charge 779 0.0110
charge 780 0.0740
charge 781 -0.0290
charge 782 0.7000
charge 783 -0.3520
charge 784 -0.7090
charge 785 0.3170
charge 786 -0.2200
charge 787 0.0200
charge 788 0.1000
charge 789 0.1200
charge 790 0.2200
charge 791 0.3600
charge 792 0.2400
charge 793 0.1200
charge 794 0.4800
charge 795 -0.1200
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########################################
## ##
## Biopolymer Atom Type Conversions ##
## ##
########################################
biotype 1 N "Glycine" 177
biotype 2 CA "Glycine" 162
biotype 3 C "Glycine" 174
biotype 4 HN "Glycine" 180
biotype 5 O "Glycine" 175
biotype 6 HA "Glycine" 82
biotype 7 N "Alanine" 177
biotype 8 CA "Alanine" 163
biotype 9 C "Alanine" 174
biotype 10 HN "Alanine" 180
biotype 11 O "Alanine" 175
biotype 12 HA "Alanine" 82
biotype 13 CB "Alanine" 77
biotype 14 HB "Alanine" 82
biotype 15 N "Valine" 177
biotype 16 CA "Valine" 163
biotype 17 C "Valine" 174
biotype 18 HN "Valine" 180
biotype 19 O "Valine" 175
biotype 20 HA "Valine" 82
biotype 21 CB "Valine" 79
biotype 22 HB "Valine" 82
biotype 23 CG1 "Valine" 77
biotype 24 HG1 "Valine" 82
biotype 25 CG2 "Valine" 77
biotype 26 HG2 "Valine" 82
biotype 27 N "Leucine" 177
biotype 28 CA "Leucine" 163
biotype 29 C "Leucine" 174
biotype 30 HN "Leucine" 180
biotype 31 O "Leucine" 175
biotype 32 HA "Leucine" 82
biotype 33 CB "Leucine" 78
biotype 34 HB "Leucine" 82
biotype 35 CG "Leucine" 79
biotype 36 HG "Leucine" 82
biotype 37 CD1 "Leucine" 77
biotype 38 HD1 "Leucine" 82
biotype 39 CD2 "Leucine" 77
biotype 40 HD2 "Leucine" 82
biotype 41 N "Isoleucine" 177
biotype 42 CA "Isoleucine" 163
biotype 43 C "Isoleucine" 174
biotype 44 HN "Isoleucine" 180
biotype 45 O "Isoleucine" 175
biotype 46 HA "Isoleucine" 82
biotype 47 CB "Isoleucine" 79
biotype 48 HB "Isoleucine" 82
biotype 49 CG1 "Isoleucine" 77
biotype 50 HG1 "Isoleucine" 82
biotype 51 CG2 "Isoleucine" 78
biotype 52 HG2 "Isoleucine" 82
biotype 53 CD "Isoleucine" 77
biotype 54 HD "Isoleucine" 82
biotype 55 N "Serine" 177
biotype 56 CA "Serine" 163
biotype 57 C "Serine" 174
biotype 58 HN "Serine" 180
biotype 59 O "Serine" 175
biotype 60 HA "Serine" 82
biotype 61 CB "Serine" 96
biotype 62 HB "Serine" 82
biotype 63 OG "Serine" 93
biotype 64 HG "Serine" 94
biotype 65 N "Threonine" 177
biotype 66 CA "Threonine" 163
biotype 67 C "Threonine" 174
biotype 68 HN "Threonine" 180
biotype 69 O "Threonine" 175
biotype 70 HA "Threonine" 82
biotype 71 CB "Threonine" 97
biotype 72 HB "Threonine" 82
biotype 73 OG1 "Threonine" 93
biotype 74 HG1 "Threonine" 94
biotype 75 CG2 "Threonine" 77
biotype 76 HG2 "Threonine" 82
biotype 77 N "Cysteine (SH)" 177
biotype 78 CA "Cysteine (SH)" 163
biotype 79 C "Cysteine (SH)" 174
biotype 80 HN "Cysteine (SH)" 180
biotype 81 O "Cysteine (SH)" 175
biotype 82 HA "Cysteine (SH)" 82
biotype 83 CB "Cysteine (SH)" 145
biotype 84 HB "Cysteine (SH)" 82
biotype 85 SG "Cysteine (SH)" 139
biotype 86 HG "Cysteine (SH)" 143
biotype 87 N "Cystine (SS)" 177
biotype 88 CA "Cystine (SS)" 163
biotype 89 C "Cystine (SS)" 174
biotype 90 HN "Cystine (SS)" 180
biotype 91 O "Cystine (SS)" 175
biotype 92 HA "Cystine (SS)" 82
biotype 93 CB "Cystine (SS)" 153
biotype 94 HB "Cystine (SS)" 82
biotype 95 SG "Cystine (SS)" 142
biotype 96 N "Cysteine (S-)" -1
biotype 97 CA "Cysteine (S-)" -1
biotype 98 C "Cysteine (S-)" -1
biotype 99 HN "Cysteine (S-)" -1
biotype 100 O "Cysteine (S-)" -1
biotype 101 HA "Cysteine (S-)" -1
biotype 102 CB "Cysteine (S-)" -1
biotype 103 HB "Cysteine (S-)" -1
biotype 104 SG "Cysteine (S-)" -1
biotype 105 N "Proline" 178
biotype 106 CA "Proline" 185
biotype 107 C "Proline" 174
biotype 108 O "Proline" 175
biotype 109 HA "Proline" 82
biotype 110 CB "Proline" 78
biotype 111 HB "Proline" 82
biotype 112 CG "Proline" 78
biotype 113 HG "Proline" 82
biotype 114 CD "Proline" 184
biotype 115 HD "Proline" 82
biotype 116 N "Phenylalanine" 177
biotype 117 CA "Phenylalanine" 163
biotype 118 C "Phenylalanine" 174
biotype 119 HN "Phenylalanine" 180
biotype 120 O "Phenylalanine" 175
biotype 121 HA "Phenylalanine" 82
biotype 122 CB "Phenylalanine" 91
biotype 123 HB "Phenylalanine" 82
biotype 124 CG "Phenylalanine" 87
biotype 125 CD "Phenylalanine" 87
biotype 126 HD "Phenylalanine" 88
biotype 127 CE "Phenylalanine" 87
biotype 128 HE "Phenylalanine" 88
biotype 129 CZ "Phenylalanine" 87
biotype 130 HZ "Phenylalanine" 88
biotype 131 N "Tyrosine" 177
biotype 132 CA "Tyrosine" 163
biotype 133 C "Tyrosine" 174
biotype 134 HN "Tyrosine" 180
biotype 135 O "Tyrosine" 175
biotype 136 HA "Tyrosine" 82
biotype 137 CB "Tyrosine" 91
biotype 138 HB "Tyrosine" 82
biotype 139 CG "Tyrosine" 87
biotype 140 CD "Tyrosine" 87
biotype 141 HD "Tyrosine" 88
biotype 142 CE "Tyrosine" 87
biotype 143 HE "Tyrosine" 88
biotype 144 CZ "Tyrosine" 105
biotype 145 OH "Tyrosine" 106
biotype 146 HH "Tyrosine" 107
biotype 147 N "Tyrosine (O-)" -1
biotype 148 CA "Tyrosine (O-)" -1
biotype 149 C "Tyrosine (O-)" -1
biotype 150 HN "Tyrosine (O-)" -1
biotype 151 O "Tyrosine (O-)" -1
biotype 152 HA "Tyrosine (O-)" -1
biotype 153 CB "Tyrosine (O-)" -1
biotype 154 HB "Tyrosine (O-)" -1
biotype 155 CG "Tyrosine (O-)" -1
biotype 156 CD "Tyrosine (O-)" -1
biotype 157 HD "Tyrosine (O-)" -1
biotype 158 CE "Tyrosine (O-)" -1
biotype 159 HE "Tyrosine (O-)" -1
biotype 160 CZ "Tyrosine (O-)" -1
biotype 161 OH "Tyrosine (O-)" -1
biotype 162 N "Tryptophan" 177
biotype 163 CA "Tryptophan" 163
biotype 164 C "Tryptophan" 174
biotype 165 HN "Tryptophan" 180
biotype 166 O "Tryptophan" 175
biotype 167 HA "Tryptophan" 82
biotype 168 CB "Tryptophan" 78
biotype 169 HB "Tryptophan" 82
biotype 170 CG "Tryptophan" 438
biotype 171 CD1 "Tryptophan" 452
biotype 172 HD1 "Tryptophan" 88
biotype 173 CD2 "Tryptophan" 439
biotype 174 NE1 "Tryptophan" 441
biotype 175 HE1 "Tryptophan" 442
biotype 176 CE2 "Tryptophan" 440
biotype 177 CE3 "Tryptophan" 87
biotype 178 HE3 "Tryptophan" 88
biotype 179 CZ2 "Tryptophan" 87
biotype 180 HZ2 "Tryptophan" 88
biotype 181 CZ3 "Tryptophan" 87
biotype 182 HZ3 "Tryptophan" 88
biotype 183 CH2 "Tryptophan" 87
biotype 184 HH2 "Tryptophan" 88
biotype 185 N "Histidine (+)" 177
biotype 186 CA "Histidine (+)" 163
biotype 187 C "Histidine (+)" 174
biotype 188 HN "Histidine (+)" 180
biotype 189 O "Histidine (+)" 175
biotype 190 HA "Histidine (+)" 82
biotype 191 CB "Histidine (+)" 443
biotype 192 HB "Histidine (+)" 82
biotype 193 CG "Histidine (+)" 448
biotype 194 ND1 "Histidine (+)" 450
biotype 195 HD1 "Histidine (+)" 451
biotype 196 CD2 "Histidine (+)" 448
biotype 197 HD2 "Histidine (+)" 88
biotype 198 CE1 "Histidine (+)" 447
biotype 199 HE1 "Histidine (+)" 88
biotype 200 NE2 "Histidine (+)" 450
biotype 201 HE2 "Histidine (+)" 451
biotype 202 N "Histidine (HD)" 177
biotype 203 CA "Histidine (HD)" 163
biotype 204 C "Histidine (HD)" 174
biotype 205 HN "Histidine (HD)" 180
biotype 206 O "Histidine (HD)" 175
biotype 207 HA "Histidine (HD)" 82
biotype 208 CB "Histidine (HD)" 443
biotype 209 HB "Histidine (HD)" 82
biotype 210 CG "Histidine (HD)" 446
biotype 211 ND1 "Histidine (HD)" 441
biotype 212 HD1 "Histidine (HD)" 442
biotype 213 CD2 "Histidine (HD)" 445
biotype 214 HD2 "Histidine (HD)" 88
biotype 215 CE1 "Histidine (HD)" 444
biotype 216 HE1 "Histidine (HD)" 88
biotype 217 NE2 "Histidine (HD)" 449
biotype 218 N "Histidine (HE)" 177
biotype 219 CA "Histidine (HE)" 163
biotype 220 C "Histidine (HE)" 174
biotype 221 HN "Histidine (HE)" 180
biotype 222 O "Histidine (HE)" 175
biotype 223 HA "Histidine (HE)" 82
biotype 224 CB "Histidine (HE)" 443
biotype 225 HB "Histidine (HE)" 82
biotype 226 CG "Histidine (HE)" 445
biotype 227 ND1 "Histidine (HE)" 449
biotype 228 CD2 "Histidine (HE)" 446
biotype 229 HD2 "Histidine (HE)" 88
biotype 230 CE1 "Histidine (HE)" 444
biotype 231 HE1 "Histidine (HE)" 88
biotype 232 NE2 "Histidine (HE)" 441
biotype 233 HE2 "Histidine (HE)" 442
biotype 234 N "Aspartic Acid" 177
biotype 235 CA "Aspartic Acid" 163
biotype 236 C "Aspartic Acid" 174
biotype 237 HN "Aspartic Acid" 180
biotype 238 O "Aspartic Acid" 175
biotype 239 HA "Aspartic Acid" 82
biotype 240 CB "Aspartic Acid" 213
biotype 241 HB "Aspartic Acid" 82
biotype 242 CG "Aspartic Acid" 210
biotype 243 OD "Aspartic Acid" 211
biotype 244 N "Aspartic Acid (COOH)" -1
biotype 245 CA "Aspartic Acid (COOH)" -1
biotype 246 C "Aspartic Acid (COOH)" -1
biotype 247 HN "Aspartic Acid (COOH)" -1
biotype 248 O "Aspartic Acid (COOH)" -1
biotype 249 HA "Aspartic Acid (COOH)" -1
biotype 250 CB "Aspartic Acid (COOH)" -1
biotype 251 HB "Aspartic Acid (COOH)" -1
biotype 252 CG "Aspartic Acid (COOH)" -1
biotype 253 OD1 "Aspartic Acid (COOH)" -1
biotype 254 OD2 "Aspartic Acid (COOH)" -1
biotype 255 HD2 "Aspartic Acid (COOH)" -1
biotype 256 N "Asparagine" 177
biotype 257 CA "Asparagine" 163
biotype 258 C "Asparagine" 174
biotype 259 HN "Asparagine" 180
biotype 260 O "Asparagine" 175
biotype 261 HA "Asparagine" 82
biotype 262 CB "Asparagine" 78
biotype 263 HB "Asparagine" 82
biotype 264 CG "Asparagine" 174
biotype 265 OD1 "Asparagine" 175
biotype 266 ND2 "Asparagine" 176
biotype 267 HD2 "Asparagine" 179
biotype 268 N "Glutamic Acid" 177
biotype 269 CA "Glutamic Acid" 163
biotype 270 C "Glutamic Acid" 174
biotype 271 HN "Glutamic Acid" 180
biotype 272 O "Glutamic Acid" 175
biotype 273 HA "Glutamic Acid" 82
biotype 274 CB "Glutamic Acid" 78
biotype 275 HB "Glutamic Acid" 82
biotype 276 CG "Glutamic Acid" 213
biotype 277 HG "Glutamic Acid" 82
biotype 278 CD "Glutamic Acid" 210
biotype 279 OE "Glutamic Acid" 211
biotype 280 N "Glutamic Acid (COOH)" -1
biotype 281 CA "Glutamic Acid (COOH)" -1
biotype 282 C "Glutamic Acid (COOH)" -1
biotype 283 HN "Glutamic Acid (COOH)" -1
biotype 284 O "Glutamic Acid (COOH)" -1
biotype 285 HA "Glutamic Acid (COOH)" -1
biotype 286 CB "Glutamic Acid (COOH)" -1
biotype 287 HB "Glutamic Acid (COOH)" -1
biotype 288 CG "Glutamic Acid (COOH)" -1
biotype 289 HG "Glutamic Acid (COOH)" -1
biotype 290 CD "Glutamic Acid (COOH)" -1
biotype 291 OE1 "Glutamic Acid (COOH)" -1
biotype 292 OE2 "Glutamic Acid (COOH)" -1
biotype 293 HE2 "Glutamic Acid (COOH)" -1
biotype 294 N "Glutamine" 177
biotype 295 CA "Glutamine" 163
biotype 296 C "Glutamine" 174
biotype 297 HN "Glutamine" 180
biotype 298 O "Glutamine" 175
biotype 299 HA "Glutamine" 82
biotype 300 CB "Glutamine" 78
biotype 301 HB "Glutamine" 82
biotype 302 CG "Glutamine" 78
biotype 303 HG "Glutamine" 82
biotype 304 CD "Glutamine" 174
biotype 305 OE1 "Glutamine" 175
biotype 306 NE2 "Glutamine" 176
biotype 307 HE2 "Glutamine" 179
biotype 308 N "Methionine" 177
biotype 309 CA "Methionine" 163
biotype 310 C "Methionine" 174
biotype 311 HN "Methionine" 180
biotype 312 O "Methionine" 175
biotype 313 HA "Methionine" 82
biotype 314 CB "Methionine" 78
biotype 315 HB "Methionine" 82
biotype 316 CG "Methionine" 149
biotype 317 HG "Methionine" 82
biotype 318 SD "Methionine" 141
biotype 319 CE "Methionine" 148
biotype 320 HE "Methionine" 82
biotype 321 N "Lysine" 177
biotype 322 CA "Lysine" 163
biotype 323 C "Lysine" 174
biotype 324 HN "Lysine" 180
biotype 325 O "Lysine" 175
biotype 326 HA "Lysine" 82
biotype 327 CB "Lysine" 78
biotype 328 HB "Lysine" 82
biotype 329 CG "Lysine" 78
biotype 330 HG "Lysine" 82
biotype 331 CD "Lysine" 78
biotype 332 HD "Lysine" 82
biotype 333 CE "Lysine" 232
biotype 334 HE "Lysine" 82
biotype 335 NZ "Lysine" 227
biotype 336 HZ "Lysine" 230
biotype 337 N "Lysine (NH2)" -1
biotype 338 CA "Lysine (NH2)" -1
biotype 339 C "Lysine (NH2)" -1
biotype 340 HN "Lysine (NH2)" -1
biotype 341 O "Lysine (NH2)" -1
biotype 342 HA "Lysine (NH2)" -1
biotype 343 CB "Lysine (NH2)" -1
biotype 344 HB "Lysine (NH2)" -1
biotype 345 CG "Lysine (NH2)" -1
biotype 346 HG "Lysine (NH2)" -1
biotype 347 CD "Lysine (NH2)" -1
biotype 348 HD "Lysine (NH2)" -1
biotype 349 CE "Lysine (NH2)" -1
biotype 350 HE "Lysine (NH2)" -1
biotype 351 NZ "Lysine (NH2)" -1
biotype 352 HZ "Lysine (NH2)" -1
biotype 353 N "Arginine" 177
biotype 354 CA "Arginine" 163
biotype 355 C "Arginine" 174
biotype 356 HN "Arginine" 180
biotype 357 O "Arginine" 175
biotype 358 HA "Arginine" 82
biotype 359 CB "Arginine" 78
biotype 360 HB "Arginine" 82
biotype 361 CG "Arginine" 248
biotype 362 HG "Arginine" 82
biotype 363 CD "Arginine" 247
biotype 364 HD "Arginine" 82
biotype 365 NE "Arginine" 243
biotype 366 HE "Arginine" 244
biotype 367 CZ "Arginine" 242
biotype 368 NH "Arginine" 240
biotype 369 HH "Arginine" 241
biotype 370 N "Ornithine" 177
biotype 371 CA "Ornithine" 163
biotype 372 C "Ornithine" 174
biotype 373 HN "Ornithine" 180
biotype 374 O "Ornithine" 175
biotype 375 HA "Ornithine" 82
biotype 376 CB "Ornithine" 78
biotype 377 HB "Ornithine" 82
biotype 378 CG "Ornithine" 78
biotype 379 HG "Ornithine" 82
biotype 380 CD "Ornithine" 232
biotype 381 HD "Ornithine" 82
biotype 382 NE "Ornithine" 227
biotype 383 HE "Ornithine" 230
biotype 384 N "MethylAlanine (AIB)" 177
biotype 385 CA "MethylAlanine (AIB)" 164
biotype 386 C "MethylAlanine (AIB)" 174
biotype 387 HN "MethylAlanine (AIB)" 180
biotype 388 O "MethylAlanine (AIB)" 175
biotype 389 CB "MethylAlanine (AIB)" 77
biotype 390 HB "MethylAlanine (AIB)" 82
biotype 391 N "Pyroglutamic Acid" 177
biotype 392 CA "Pyroglutamic Acid" 163
biotype 393 C "Pyroglutamic Acid" 174
biotype 394 HN "Pyroglutamic Acid" 180
biotype 395 O "Pyroglutamic Acid" 175
biotype 396 HA "Pyroglutamic Acid" 82
biotype 397 CB "Pyroglutamic Acid" 78
biotype 398 HB "Pyroglutamic Acid" 82
biotype 399 CG "Pyroglutamic Acid" 213
biotype 400 HG "Pyroglutamic Acid" 82
biotype 401 CD "Pyroglutamic Acid" 174
biotype 402 OE "Pyroglutamic Acid" 175
biotype 403 C "Formyl N-Terminus" 174
biotype 404 H "Formyl N-Terminus" 218
biotype 405 O "Formyl N-Terminus" 175
biotype 406 CH3 "Acetyl N-Terminus" 77
biotype 407 H "Acetyl N-Terminus" 82
biotype 408 C "Acetyl N-Terminus" 174
biotype 409 O "Acetyl N-Terminus" 175
biotype 410 N "Amide C-Terminus" 176
biotype 411 HN "Amide C-Terminus" 179
biotype 412 N "N-MeAmide C-Terminus" 177
biotype 413 HN "N-MeAmide C-Terminus" 180
biotype 414 CH3 "N-MeAmide C-Terminus" 181
biotype 415 H "N-MeAmide C-Terminus" 82
biotype 416 N "N-Terminal GLY" 227
biotype 417 CA "N-Terminal GLY" 232
biotype 418 C "N-Terminal GLY" 174
biotype 419 HN "N-Terminal GLY" 230
biotype 420 O "N-Terminal GLY" 175
biotype 421 HA "N-Terminal GLY" 82
biotype 422 N "N-Terminal ALA" 227
biotype 423 CA "N-Terminal ALA" 233
biotype 424 C "N-Terminal ALA" 174
biotype 425 HN "N-Terminal ALA" 230
biotype 426 O "N-Terminal ALA" 175
biotype 427 HA "N-Terminal ALA" 82
biotype 428 N "N-Terminal VAL" 227
biotype 429 CA "N-Terminal VAL" 233
biotype 430 C "N-Terminal VAL" 174
biotype 431 HN "N-Terminal VAL" 230
biotype 432 O "N-Terminal VAL" 175
biotype 433 HA "N-Terminal VAL" 82
biotype 434 N "N-Terminal LEU" 227
biotype 435 CA "N-Terminal LEU" 233
biotype 436 C "N-Terminal LEU" 174
biotype 437 HN "N-Terminal LEU" 230
biotype 438 O "N-Terminal LEU" 175
biotype 439 HA "N-Terminal LEU" 82
biotype 440 N "N-Terminal ILE" 227
biotype 441 CA "N-Terminal ILE" 233
biotype 442 C "N-Terminal ILE" 174
biotype 443 HN "N-Terminal ILE" 230
biotype 444 O "N-Terminal ILE" 175
biotype 445 HA "N-Terminal ILE" 82
biotype 446 N "N-Terminal SER" 227
biotype 447 CA "N-Terminal SER" 233
biotype 448 C "N-Terminal SER" 174
biotype 449 HN "N-Terminal SER" 230
biotype 450 O "N-Terminal SER" 175
biotype 451 HA "N-Terminal SER" 82
biotype 452 N "N-Terminal THR" 227
biotype 453 CA "N-Terminal THR" 233
biotype 454 C "N-Terminal THR" 174
biotype 455 HN "N-Terminal THR" 230
biotype 456 O "N-Terminal THR" 175
biotype 457 HA "N-Terminal THR" 82
biotype 458 N "N-Terminal CYS (SH)" 227
biotype 459 CA "N-Terminal CYS (SH)" 233
biotype 460 C "N-Terminal CYS (SH)" 174
biotype 461 HN "N-Terminal CYS (SH)" 230
biotype 462 O "N-Terminal CYS (SH)" 175
biotype 463 HA "N-Terminal CYS (SH)" 82
biotype 464 N "N-Terminal CYX (SS)" 227
biotype 465 CA "N-Terminal CYX (SS)" 233
biotype 466 C "N-Terminal CYX (SS)" 174
biotype 467 HN "N-Terminal CYX (SS)" 230
biotype 468 O "N-Terminal CYX (SS)" 175
biotype 469 HA "N-Terminal CYX (SS)" 82
biotype 470 N "N-Terminal CYD (S-)" -1
biotype 471 CA "N-Terminal CYD (S-)" -1
biotype 472 C "N-Terminal CYD (S-)" -1
biotype 473 HN "N-Terminal CYD (S-)" -1
biotype 474 O "N-Terminal CYD (S-)" -1
biotype 475 HA "N-Terminal CYD (S-)" -1
biotype 476 N "N-Terminal PRO" 249
biotype 477 CA "N-Terminal PRO" 235
biotype 478 C "N-Terminal PRO" 174
biotype 479 HN "N-Terminal PRO" 250
biotype 480 O "N-Terminal PRO" 175
biotype 481 HA "N-Terminal PRO" 82
biotype 482 CD "N-Terminal PRO" 236
biotype 483 HD "N-Terminal PRO" 82
biotype 484 N "N-Terminal PHE" 227
biotype 485 CA "N-Terminal PHE" 233
biotype 486 C "N-Terminal PHE" 174
biotype 487 HN "N-Terminal PHE" 230
biotype 488 O "N-Terminal PHE" 175
biotype 489 HA "N-Terminal PHE" 82
biotype 490 N "N-Terminal TYR" 227
biotype 491 CA "N-Terminal TYR" 233
biotype 492 C "N-Terminal TYR" 174
biotype 493 HN "N-Terminal TYR" 230
biotype 494 O "N-Terminal TYR" 175
biotype 495 HA "N-Terminal TYR" 82
biotype 496 N "N-Terminal TYD (O-)" -1
biotype 497 CA "N-Terminal TYD (O-)" -1
biotype 498 C "N-Terminal TYD (O-)" -1
biotype 499 HN "N-Terminal TYD (O-)" -1
biotype 500 O "N-Terminal TYD (O-)" -1
biotype 501 HA "N-Terminal TYD (O-)" -1
biotype 502 N "N-Terminal TRP" 227
biotype 503 CA "N-Terminal TRP" 233
biotype 504 C "N-Terminal TRP" 174
biotype 505 HN "N-Terminal TRP" 230
biotype 506 O "N-Terminal TRP" 175
biotype 507 HA "N-Terminal TRP" 82
biotype 508 N "N-Terminal HIS (+)" 227
biotype 509 CA "N-Terminal HIS (+)" 233
biotype 510 C "N-Terminal HIS (+)" 174
biotype 511 HN "N-Terminal HIS (+)" 230
biotype 512 O "N-Terminal HIS (+)" 175
biotype 513 HA "N-Terminal HIS (+)" 82
biotype 514 N "N-Terminal HIS (HD)" 227
biotype 515 CA "N-Terminal HIS (HD)" 233
biotype 516 C "N-Terminal HIS (HD)" 174
biotype 517 HN "N-Terminal HIS (HD)" 230
biotype 518 O "N-Terminal HIS (HD)" 175
biotype 519 HA "N-Terminal HIS (HD)" 82
biotype 520 N "N-Terminal HIS (HE)" 227
biotype 521 CA "N-Terminal HIS (HE)" 233
biotype 522 C "N-Terminal HIS (HE)" 174
biotype 523 HN "N-Terminal HIS (HE)" 230
biotype 524 O "N-Terminal HIS (HE)" 175
biotype 525 HA "N-Terminal HIS (HE)" 82
biotype 526 N "N-Terminal ASP" 227
biotype 527 CA "N-Terminal ASP" 233
biotype 528 C "N-Terminal ASP" 174
biotype 529 HN "N-Terminal ASP" 230
biotype 530 O "N-Terminal ASP" 175
biotype 531 HA "N-Terminal ASP" 82
biotype 532 N "N-Terminal ASH (COOH)" -1
biotype 533 CA "N-Terminal ASH (COOH)" -1
biotype 534 C "N-Terminal ASH (COOH)" -1
biotype 535 HN "N-Terminal ASH (COOH)" -1
biotype 536 O "N-Terminal ASH (COOH)" -1
biotype 537 HA "N-Terminal ASH (COOH)" -1
biotype 538 N "N-Terminal ASN" 227
biotype 539 CA "N-Terminal ASN" 233
biotype 540 C "N-Terminal ASN" 174
biotype 541 HN "N-Terminal ASN" 230
biotype 542 O "N-Terminal ASN" 175
biotype 543 HA "N-Terminal ASN" 82
biotype 544 N "N-Terminal GLU" 227
biotype 545 CA "N-Terminal GLU" 233
biotype 546 C "N-Terminal GLU" 174
biotype 547 HN "N-Terminal GLU" 230
biotype 548 O "N-Terminal GLU" 175
biotype 549 HA "N-Terminal GLU" 82
biotype 550 N "N-Terminal GLH (COOH)" -1
biotype 551 CA "N-Terminal GLH (COOH)" -1
biotype 552 C "N-Terminal GLH (COOH)" -1
biotype 553 HN "N-Terminal GLH (COOH)" -1
biotype 554 O "N-Terminal GLH (COOH)" -1
biotype 555 HA "N-Terminal GLH (COOH)" -1
biotype 556 N "N-Terminal GLN" 227
biotype 557 CA "N-Terminal GLN" 233
biotype 558 C "N-Terminal GLN" 174
biotype 559 HN "N-Terminal GLN" 230
biotype 560 O "N-Terminal GLN" 175
biotype 561 HA "N-Terminal GLN" 82
biotype 562 N "N-Terminal MET" 227
biotype 563 CA "N-Terminal MET" 233
biotype 564 C "N-Terminal MET" 174
biotype 565 HN "N-Terminal MET" 230
biotype 566 O "N-Terminal MET" 175
biotype 567 HA "N-Terminal MET" 82
biotype 568 N "N-Terminal LYS" 227
biotype 569 CA "N-Terminal LYS" 233
biotype 570 C "N-Terminal LYS" 174
biotype 571 HN "N-Terminal LYS" 230
biotype 572 O "N-Terminal LYS" 175
biotype 573 HA "N-Terminal LYS" 82
biotype 574 N "N-Terminal LYD (NH2)" -1
biotype 575 CA "N-Terminal LYD (NH2)" -1
biotype 576 C "N-Terminal LYD (NH2)" -1
biotype 577 HN "N-Terminal LYD (NH2)" -1
biotype 578 O "N-Terminal LYD (NH2)" -1
biotype 579 HA "N-Terminal LYD (NH2)" -1
biotype 580 N "N-Terminal ARG" 227
biotype 581 CA "N-Terminal ARG" 233
biotype 582 C "N-Terminal ARG" 174
biotype 583 HN "N-Terminal ARG" 230
biotype 584 O "N-Terminal ARG" 175
biotype 585 HA "N-Terminal ARG" 82
biotype 586 N "N-Terminal ORN" 227
biotype 587 CA "N-Terminal ORN" 233
biotype 588 C "N-Terminal ORN" 174
biotype 589 HN "N-Terminal ORN" 230
biotype 590 O "N-Terminal ORN" 175
biotype 591 HA "N-Terminal ORN" 82
biotype 592 N "N-Terminal AIB" 227
biotype 593 CA "N-Terminal AIB" 234
biotype 594 C "N-Terminal AIB" 174
biotype 595 HN "N-Terminal AIB" 230
biotype 596 O "N-Terminal AIB" 175
biotype 597 N "C-Terminal GLY" 177
biotype 598 CA "C-Terminal GLY" 223
biotype 599 C "C-Terminal GLY" 210
biotype 600 HN "C-Terminal GLY" 180
biotype 601 OXT "C-Terminal GLY" 211
biotype 602 HA "C-Terminal GLY" 82
biotype 603 N "C-Terminal ALA" 177
biotype 604 CA "C-Terminal ALA" 222
biotype 605 C "C-Terminal ALA" 210
biotype 606 HN "C-Terminal ALA" 180
biotype 607 OXT "C-Terminal ALA" 211
biotype 608 HA "C-Terminal ALA" 82
biotype 609 N "C-Terminal VAL" 177
biotype 610 CA "C-Terminal VAL" 222
biotype 611 C "C-Terminal VAL" 210
biotype 612 HN "C-Terminal VAL" 180
biotype 613 OXT "C-Terminal VAL" 211
biotype 614 HA "C-Terminal VAL" 82
biotype 615 N "C-Terminal LEU" 177
biotype 616 CA "C-Terminal LEU" 222
biotype 617 C "C-Terminal LEU" 210
biotype 618 HN "C-Terminal LEU" 180
biotype 619 OXT "C-Terminal LEU" 211
biotype 620 HA "C-Terminal LEU" 82
biotype 621 N "C-Terminal ILE" 177
biotype 622 CA "C-Terminal ILE" 222
biotype 623 C "C-Terminal ILE" 210
biotype 624 HN "C-Terminal ILE" 180
biotype 625 OXT "C-Terminal ILE" 211
biotype 626 HA "C-Terminal ILE" 82
biotype 627 N "C-Terminal SER" 177
biotype 628 CA "C-Terminal SER" 222
biotype 629 C "C-Terminal SER" 210
biotype 630 HN "C-Terminal SER" 180
biotype 631 OXT "C-Terminal SER" 211
biotype 632 HA "C-Terminal SER" 82
biotype 633 N "C-Terminal THR" 177
biotype 634 CA "C-Terminal THR" 222
biotype 635 C "C-Terminal THR" 210
biotype 636 HN "C-Terminal THR" 180
biotype 637 OXT "C-Terminal THR" 211
biotype 638 HA "C-Terminal THR" 82
biotype 639 N "C-Terminal CYS (SH)" 177
biotype 640 CA "C-Terminal CYS (SH)" 222
biotype 641 C "C-Terminal CYS (SH)" 210
biotype 642 HN "C-Terminal CYS (SH)" 180
biotype 643 OXT "C-Terminal CYS (SH)" 211
biotype 644 HA "C-Terminal CYS (SH)" 82
biotype 645 N "C-Terminal CYX (SS)" 177
biotype 646 CA "C-Terminal CYX (SS)" 222
biotype 647 C "C-Terminal CYX (SS)" 210
biotype 648 HN "C-Terminal CYX (SS)" 180
biotype 649 OXT "C-Terminal CYX (SS)" 211
biotype 650 HA "C-Terminal CYX (SS)" 82
biotype 651 N "C-Terminal CYD (S-)" -1
biotype 652 CA "C-Terminal CYD (S-)" -1
biotype 653 C "C-Terminal CYD (S-)" -1
biotype 654 HN "C-Terminal CYD (S-)" -1
biotype 655 OXT "C-Terminal CYD (S-)" -1
biotype 656 HA "C-Terminal CYD (S-)" -1
biotype 657 N "C-Terminal PRO" 178
biotype 658 CA "C-Terminal PRO" 225
biotype 659 C "C-Terminal PRO" 210
biotype 660 OXT "C-Terminal PRO" 211
biotype 661 HA "C-Terminal PRO" 82
biotype 662 N "C-Terminal PHE" 177
biotype 663 CA "C-Terminal PHE" 222
biotype 664 C "C-Terminal PHE" 210
biotype 665 HN "C-Terminal PHE" 180
biotype 666 OXT "C-Terminal PHE" 211
biotype 667 HA "C-Terminal PHE" 82
biotype 668 N "C-Terminal TYR" 177
biotype 669 CA "C-Terminal TYR" 222
biotype 670 C "C-Terminal TYR" 210
biotype 671 HN "C-Terminal TYR" 180
biotype 672 OXT "C-Terminal TYR" 211
biotype 673 HA "C-Terminal TYR" 82
biotype 674 N "C-Terminal TYD (O-)" -1
biotype 675 CA "C-Terminal TYD (O-)" -1
biotype 676 C "C-Terminal TYD (O-)" -1
biotype 677 HN "C-Terminal TYD (O-)" -1
biotype 678 OXT "C-Terminal TYD (O-)" -1
biotype 679 HA "C-Terminal TYD (O-)" -1
biotype 680 N "C-Terminal TRP" 177
biotype 681 CA "C-Terminal TRP" 222
biotype 682 C "C-Terminal TRP" 210
biotype 683 HN "C-Terminal TRP" 180
biotype 684 OXT "C-Terminal TRP" 211
biotype 685 HA "C-Terminal TRP" 82
biotype 686 N "C-Terminal HIS (+)" 177
biotype 687 CA "C-Terminal HIS (+)" 222
biotype 688 C "C-Terminal HIS (+)" 210
biotype 689 HN "C-Terminal HIS (+)" 180
biotype 690 OXT "C-Terminal HIS (+)" 211
biotype 691 HA "C-Terminal HIS (+)" 82
biotype 692 N "C-Terminal HIS (HD)" 177
biotype 693 CA "C-Terminal HIS (HD)" 222
biotype 694 C "C-Terminal HIS (HD)" 210
biotype 695 HN "C-Terminal HIS (HD)" 180
biotype 696 OXT "C-Terminal HIS (HD)" 211
biotype 697 HA "C-Terminal HIS (HD)" 82
biotype 698 N "C-Terminal HIS (HE)" 177
biotype 699 CA "C-Terminal HIS (HE)" 222
biotype 700 C "C-Terminal HIS (HE)" 210
biotype 701 HN "C-Terminal HIS (HE)" 180
biotype 702 OXT "C-Terminal HIS (HE)" 211
biotype 703 HA "C-Terminal HIS (HE)" 82
biotype 704 N "C-Terminal ASP" 177
biotype 705 CA "C-Terminal ASP" 222
biotype 706 C "C-Terminal ASP" 210
biotype 707 HN "C-Terminal ASP" 180
biotype 708 OXT "C-Terminal ASP" 211
biotype 709 HA "C-Terminal ASP" 82
biotype 710 N "C-Terminal ASH (COOH)" -1
biotype 711 CA "C-Terminal ASH (COOH)" -1
biotype 712 C "C-Terminal ASH (COOH)" -1
biotype 713 HN "C-Terminal ASH (COOH)" -1
biotype 714 OXT "C-Terminal ASH (COOH)" -1
biotype 715 HA "C-Terminal ASH (COOH)" -1
biotype 716 N "C-Terminal ASN" 177
biotype 717 CA "C-Terminal ASN" 222
biotype 718 C "C-Terminal ASN" 210
biotype 719 HN "C-Terminal ASN" 180
biotype 720 OXT "C-Terminal ASN" 211
biotype 721 HA "C-Terminal ASN" 82
biotype 722 N "C-Terminal GLU" 177
biotype 723 CA "C-Terminal GLU" 222
biotype 724 C "C-Terminal GLU" 210
biotype 725 HN "C-Terminal GLU" 180
biotype 726 OXT "C-Terminal GLU" 211
biotype 727 HA "C-Terminal GLU" 82
biotype 728 N "C-Terminal GLH (COOH)" -1
biotype 729 CA "C-Terminal GLH (COOH)" -1
biotype 730 C "C-Terminal GLH (COOH)" -1
biotype 731 HN "C-Terminal GLH (COOH)" -1
biotype 732 OXT "C-Terminal GLH (COOH)" -1
biotype 733 HA "C-Terminal GLH (COOH)" -1
biotype 734 N "C-Terminal GLN" 177
biotype 735 CA "C-Terminal GLN" 222
biotype 736 C "C-Terminal GLN" 210
biotype 737 HN "C-Terminal GLN" 180
biotype 738 OXT "C-Terminal GLN" 211
biotype 739 HA "C-Terminal GLN" 82
biotype 740 N "C-Terminal MET" 177
biotype 741 CA "C-Terminal MET" 222
biotype 742 C "C-Terminal MET" 210
biotype 743 HN "C-Terminal MET" 180
biotype 744 OXT "C-Terminal MET" 211
biotype 745 HA "C-Terminal MET" 82
biotype 746 N "C-Terminal LYS" 177
biotype 747 CA "C-Terminal LYS" 222
biotype 748 C "C-Terminal LYS" 210
biotype 749 HN "C-Terminal LYS" 180
biotype 750 OXT "C-Terminal LYS" 211
biotype 751 HA "C-Terminal LYS" 82
biotype 752 N "C-Terminal LYD (NH2)" -1
biotype 753 CA "C-Terminal LYD (NH2)" -1
biotype 754 C "C-Terminal LYD (NH2)" -1
biotype 755 HN "C-Terminal LYD (NH2)" -1
biotype 756 OXT "C-Terminal LYD (NH2)" -1
biotype 757 HA "C-Terminal LYD (NH2)" -1
biotype 758 N "C-Terminal ARG" 177
biotype 759 CA "C-Terminal ARG" 222
biotype 760 C "C-Terminal ARG" 210
biotype 761 HN "C-Terminal ARG" 180
biotype 762 OXT "C-Terminal ARG" 211
biotype 763 HA "C-Terminal ARG" 82
biotype 764 N "C-Terminal ORN" 177
biotype 765 CA "C-Terminal ORN" 222
biotype 766 C "C-Terminal ORN" 210
biotype 767 HN "C-Terminal ORN" 180
biotype 768 OXT "C-Terminal ORN" 211
biotype 769 HA "C-Terminal ORN" 82
biotype 770 N "C-Terminal AIB" 177
biotype 771 CA "C-Terminal AIB" 224
biotype 772 C "C-Terminal AIB" 210
biotype 773 HN "C-Terminal AIB" 180
biotype 774 OXT "C-Terminal AIB" 211
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