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# This file contains OPLSAA parameters and rules for creating
# angle, dihedral, and improper interactions according to OPLSAA conventions.
# These parameters are taken from those distributed with BOSS Version 4.8.
#
# USAGE: You can create molecules using this force-field this way:
#
# MyMolecule inherits OPLSAA {
# # atom-id mol-id atom-type charge X Y Z
# write('Data Atoms') {
# $atom:C1 $mol @atom:88 0.00 -0.6695 0.000000 0.000000
# $atom:H11 $mol @atom:89 0.00 -1.234217 -0.854458 0.000000
# : : : : : :
# }
# }
#
# Responsibility for choosing the atom types (eg "@atom:88", "@atom:89") falls
# on the user. You must select the type of each atom in the molecule carefully
# by looking at the description in the "In Charges" section of this file
# (see below), and looking for a reasonable match. If your simulation is
# non-neutral, or moltemplate complains that you have missing bond, angle, or
# dihedral types, this means at least one of your atom types is incorrect.
OPLSAA {
# Below we will use lammps "set" command to assign atom charges
# by atom type. http://lammps.sandia.gov/doc/set.html
write_once("In Charges") {
set type @atom:1 charge -0.22 # "Fluoride -CH2-F (UA)"
set type @atom:2 charge 0.22 # "Fluoride -CH2-F (UA)"
set type @atom:3 charge 0.55 # "Acetic Acid -COOH (UA)"
set type @atom:4 charge -0.5 # "Acetic Acid >C=O (UA)"
set type @atom:5 charge -0.58 # "Acetic Acid -OH (UA)"
set type @atom:6 charge 0.08 # "Acetic Acid CH3- (UA)"
set type @atom:7 charge 0.45 # "Acetic Acid -OH (UA)"
set type @atom:8 charge 0.0 # "Methane CH4 (UA)"
set type @atom:9 charge 0.0 # "Ethane CH3- (UA)"
set type @atom:10 charge 0.0 # "N-Alkane CH3- (UA)"
set type @atom:11 charge 0.0 # "Isobutane CH3- (UA)"
set type @atom:12 charge 0.0 # "Neopentane CH3- (UA)"
set type @atom:13 charge 0.0 # "Alkanes -CH2- (UA)"
set type @atom:14 charge 0.0 # "1-Alkene CH2= (UA)"
set type @atom:15 charge 0.0 # "Isobutane CH (UA)"
set type @atom:16 charge 0.0 # "2-Alkene -CH= (UA)"
set type @atom:17 charge 0.0 # "Aromatic CH (UA)"
set type @atom:18 charge 0.0 # "Neopentane C (UA)"
set type @atom:19 charge 0.0 # "Isobutene >C= (UA)"
set type @atom:20 charge -0.7 # "Alcohol OH (UA)"
set type @atom:21 charge 0.435 # "Alcohol OH (UA)"
set type @atom:22 charge 0.265 # "Methanol CH3- (UA)"
set type @atom:23 charge 0.265 # "Ethanol -CH2OH (UA)"
set type @atom:24 charge -0.47 # "Hydrogen Sulfide H2S"
set type @atom:25 charge -0.45 # "Alkyl Sulfide RSH (UA)"
set type @atom:26 charge -0.47 # "Thioether RSR (UA)"
set type @atom:27 charge -0.3 # "Disulfide RSSR (UA)"
set type @atom:28 charge 0.235 # "Hydrogen Sulfide H2S"
set type @atom:29 charge 0.27 # "Alkyl Sulfide RSH (UA)"
set type @atom:30 charge 0.18 # "Methyl Sulfide CH3 (UA)"
set type @atom:31 charge 0.18 # "Alkyl Sulfide CH2 (UA)"
set type @atom:32 charge 0.235 # "Thioether CH3 (UA)"
set type @atom:33 charge 0.235 # "Thioether CH2 (UA)"
set type @atom:34 charge 0.3 # "Disulfide CH3 (UA)"
set type @atom:35 charge 0.3 # "Disulfide CH2 (UA)"
set type @atom:36 charge -0.43 # "Acetonitrile -CN (UA)"
set type @atom:37 charge 0.28 # "Acetonitrile -CN (UA)"
set type @atom:38 charge 0.15 # "Acetonitrile CH3 (UA)"
set type @atom:39 charge 0.265 # "Isopropanol >CHOH (UA)"
set type @atom:40 charge 0.265 # "t-Butanol COH (UA)"
set type @atom:41 charge -0.5 # "Ether ROR (UA)"
set type @atom:42 charge 0.25 # "Ether CH3-OR (UA)"
set type @atom:43 charge 0.25 # "Ether -CH2-OR (UA)"
set type @atom:44 charge 0.5 # "Methylene Chloride (UA)"
set type @atom:45 charge -0.25 # "Methylene Chloride (UA)"
set type @atom:46 charge 0.42 # "Chloroform CHCl3 (UA)"
set type @atom:47 charge -0.14 # "Chloroform CHCl3 (UA)"
set type @atom:48 charge 0.248 # "Carbon Tetrachloride"
set type @atom:49 charge -0.062 # "Carbon Tetrachloride"
set type @atom:50 charge 0.139 # "DMSO >S=O (UA)"
set type @atom:51 charge -0.459 # "DMSO >S=O (UA)"
set type @atom:52 charge 0.16 # "DMSO CH3- (UA)"
set type @atom:53 charge -0.5 # "DMF C=O (UA)"
set type @atom:54 charge -0.57 # "DMF CON< (UA)"
set type @atom:55 charge 0.5 # "DMF C=O (UA)"
set type @atom:56 charge 0.285 # "DMF CH3- (UA)"
set type @atom:57 charge 0.0 # "Dummy Atom"
set type @atom:58 charge 0.0 # "Helium Atom"
set type @atom:59 charge 0.0 # "Neon Atom"
set type @atom:60 charge 0.0 # "Argon Atom"
set type @atom:61 charge 0.0 # "Krypton Atom"
set type @atom:62 charge 0.0 # "Xenon Atom"
set type @atom:63 charge -0.834 # "TIP3P Water O"
set type @atom:64 charge 0.417 # "TIP3P Water H"
set type @atom:65 charge 0.0 # "TIP4P Water O"
set type @atom:66 charge 0.52 # "TIP4P Water H"
set type @atom:67 charge -1.04 # "TIP4P Water M"
set type @atom:68 charge -0.822 # "TIP3F Water O"
set type @atom:69 charge 0.411 # "TIP3F Water H"
set type @atom:70 charge 0.0 # "TIP4F Water O"
set type @atom:71 charge 0.511 # "TIP4F Water H"
set type @atom:72 charge -1.022 # "TIP4F Water M"
set type @atom:73 charge 0.0 # "TIP5P Water O"
set type @atom:74 charge 0.241 # "TIP5P Water H"
set type @atom:75 charge -0.241 # "TIP5P Water LP"
set type @atom:76 charge -0.82 # "SPC Water O"
set type @atom:77 charge 0.41 # "SPC Water H"
set type @atom:78 charge -1.02 # "Ammonia NH3"
set type @atom:79 charge 0.34 # "Ammonia NH3"
set type @atom:80 charge -0.18 # "Alkane CH3-"
set type @atom:81 charge -0.12 # "Alkane -CH2-"
set type @atom:82 charge -0.06 # "Alkane >CH-"
set type @atom:83 charge -0.24 # "Methane CH4"
set type @atom:84 charge 0.0 # "Alkane >C<"
set type @atom:85 charge 0.06 # "Alkane H-C"
set type @atom:86 charge 0.0 # "Alkene R2-C="
set type @atom:87 charge -0.115 # "Alkene RH-C="
set type @atom:88 charge -0.23 # "Alkene H2-C="
set type @atom:89 charge 0.115 # "Alkene H-C="
set type @atom:90 charge -0.115 # "Aromatic C"
set type @atom:91 charge 0.115 # "Aromatic H-C"
set type @atom:92 charge 0.0 # "Naphthalene Fusion C"
set type @atom:93 charge -0.065 # "Ethyl Benzene CH3-"
set type @atom:94 charge -0.005 # "Ethyl Benzene -CH2-"
set type @atom:95 charge -0.115 # "Diene =CH-CH="
set type @atom:96 charge -0.683 # "Alcohol -OH"
set type @atom:97 charge 0.418 # "Alcohol -OH"
set type @atom:98 charge 0.04 # "Methanol CH3-"
set type @atom:99 charge 0.145 # "Alcohol CH3OH & RCH2OH"
set type @atom:100 charge 0.205 # "Alcohol R2CHOH"
set type @atom:101 charge 0.265 # "Alcohol R3COH"
set type @atom:102 charge 0.1263 # "Trifluoroethanol -CH2-"
set type @atom:103 charge 0.5323 # "Trifluoroethanol CF3-"
set type @atom:104 charge -0.6351 # "Trifluoroethanol -OH"
set type @atom:105 charge 0.4286 # "Trifluoroethanol -OH"
set type @atom:106 charge -0.2057 # "Trifluoroethanol F"
set type @atom:107 charge 0.0825 # "Trifluoroethanol -CH2-"
set type @atom:108 charge 0.15 # "Phenol C-OH"
set type @atom:109 charge -0.585 # "Phenol -OH"
set type @atom:110 charge 0.435 # "Phenol -OH"
set type @atom:111 charge -0.7 # "Diol -OH"
set type @atom:112 charge 0.435 # "Diol -OH"
set type @atom:113 charge -0.73 # "Triol -OH"
set type @atom:114 charge 0.465 # "Triol -OH"
set type @atom:115 charge 0.145 # "Diol & Triol -CH2OH"
set type @atom:116 charge 0.205 # "Diol & Triol -CHROH"
set type @atom:117 charge 0.265 # "Diol & Triol -CR2OH"
set type @atom:118 charge 0.06 # "Diol & Triol H-COH"
set type @atom:119 charge -0.17 # "Diphenyl Ether"
set type @atom:120 charge 0.0 # "Diene =CR-CR="
set type @atom:121 charge -0.285 # "Anisole -OCH3"
set type @atom:122 charge -0.4 # "Dialkyl Ether -O-"
set type @atom:123 charge 0.11 # "Methyl Ether CH3OR"
set type @atom:124 charge 0.14 # "Ethyl Ether -CH2OR"
set type @atom:125 charge 0.17 # "Isopropyl Ether >CHOR"
set type @atom:126 charge 0.2 # "t-Butyl Ether COR"
set type @atom:127 charge 0.03 # "Alkyl Ether H-COR"
set type @atom:128 charge -0.4 # "Acetal RO-CR2OX"
set type @atom:129 charge -0.7 # "Hemiacetal -OH"
set type @atom:130 charge 0.435 # "Hemiacetal -OH"
set type @atom:131 charge 0.2 # "Acetal RO-CH2-OR"
set type @atom:132 charge 0.1 # "Acetal RO-CH2-OR"
set type @atom:133 charge 0.265 # "Hemiacetal RO-CH2-OH"
set type @atom:134 charge 0.1 # "Hemiacetal RO-CH2-OH"
set type @atom:135 charge 0.3 # "Acetal RO-CHR-OR"
set type @atom:136 charge 0.1 # "Acetal RO-CHR-OR"
set type @atom:137 charge 0.365 # "Hemiacetal RO-CHR-OH"
set type @atom:138 charge 0.1 # "Hemiacetal RO-CHR-OH"
set type @atom:139 charge 0.4 # "Acetal RO-CR2-OR"
set type @atom:140 charge 0.465 # "Hemiacetal RO-CR2-OH"
set type @atom:141 charge 0.085 # "Anisole C-OCH3"
set type @atom:142 charge -0.335 # "Thiol -SH"
set type @atom:143 charge -0.47 # "Hydrogen Sulfide H2S"
set type @atom:144 charge -0.435 # "Sulfide -S-"
set type @atom:145 charge -0.2175 # "Disulfide -S-S-"
set type @atom:146 charge 0.155 # "Thiol -SH"
set type @atom:147 charge 0.235 # "Hydrogen Sulfide H2S"
set type @atom:148 charge 0.06 # "Thiol -CH2-SH"
set type @atom:149 charge 0.12 # "Thiol >CH-SH"
set type @atom:150 charge 0.18 # "Thiol C-SH"
set type @atom:151 charge 0.0375 # "Methyl Sulfide CH3-SR"
set type @atom:152 charge 0.0975 # "Sulfide RCH2-SR"
set type @atom:153 charge 0.1575 # "Sulfide R2CH-SR"
set type @atom:154 charge 0.2175 # "Sulfide R3C-SR"
set type @atom:155 charge 0.0375 # "Disulfide CH3-S-SR"
set type @atom:156 charge 0.0975 # "Disulfide RCH2-S-SR"
set type @atom:157 charge 0.1575 # "Disulfide R2CH-S-SR"
set type @atom:158 charge 0.2175 # "Disulfide R3C-S-SR"
set type @atom:159 charge 0.0 # "Methanethiol CH3-SH"
set type @atom:160 charge 0.2 # "Benzyl Alcohol -CH2OH"
set type @atom:161 charge 0.26 # "Benzyl Alcohol -CHROH"
set type @atom:162 charge 0.32 # "Benzyl Alcohol -CR2OH"
set type @atom:163 charge -0.055 # "Benzyl Alcohol/Nitrile"
set type @atom:164 charge -0.32 # "Thioanisole -SCH3"
set type @atom:165 charge 0.08 # "RCH2-NH2 & GLY CA"
set type @atom:166 charge 0.14 # "RCHR-NH2 & ALA CA"
set type @atom:167 charge 0.2 # "R3C-NH2 & AIB CA"
set type @atom:168 charge -0.12 # "Chloroalkene Cl-CH="
set type @atom:169 charge 0.005 # "Chloroalkene Cl-CH="
set type @atom:170 charge 0.1025 # "Thioanisole C-SCH3"
set type @atom:171 charge 0.14 # "Amide -NH-CHR2"
set type @atom:172 charge 0.2 # "Amide -NH-CR3"
set type @atom:173 charge 0.7 # "Benzophenone C=O"
set type @atom:174 charge 0.565 # "Benzaldehyde C=O"
set type @atom:175 charge 0.585 # "Acetophenone C=O"
set type @atom:176 charge 0.615 # "Benzamide C=O"
set type @atom:177 charge 0.5 # "Amide C=O"
set type @atom:178 charge -0.5 # "Amide C=O"
set type @atom:179 charge -0.76 # "Amide -CO-NH2"
set type @atom:180 charge -0.5 # "Amide -CO-NHR"
set type @atom:181 charge -0.14 # "Amide -CO-NR2"
set type @atom:182 charge 0.38 # "Amide -CO-NH2"
set type @atom:183 charge 0.3 # "Amide -CO-NHR"
set type @atom:184 charge 0.02 # "Amide -NH-CH3"
set type @atom:185 charge -0.11 # "Amide -NR-CH3"
set type @atom:186 charge 0.08 # "Amide -NH-CH2R"
set type @atom:187 charge -0.05 # "Amide -NR-CH2R & PRO CD"
set type @atom:188 charge 0.01 # "Amide -NR-CHR2 & PRO CA"
set type @atom:189 charge 0.142 # "Urea C=O"
set type @atom:190 charge -0.39 # "Urea C=O"
set type @atom:191 charge -0.542 # "Urea -NH2"
set type @atom:192 charge 0.333 # "Urea -NH2"
set type @atom:193 charge -0.49 # "Imide -NH-"
set type @atom:194 charge 0.42 # "Imide C=O"
set type @atom:195 charge -0.42 # "Imide C=O"
set type @atom:196 charge 0.37 # "Imide -NH-"
set type @atom:197 charge 0.06 # "Formimide H-C=O"
set type @atom:198 charge -0.12 # "Imide CH3-CONHCO-"
set type @atom:199 charge -0.06 # "Imide -CH2-CONHCO-"
set type @atom:200 charge 0.0 # "Imide >CH-CONHCO-"
set type @atom:201 charge 0.06 # "Imide C-CONHCO-"
set type @atom:202 charge 0.035 # "Benzonitrile C-CN"
set type @atom:203 charge 0.395 # "Benzonitrile -CN"
set type @atom:204 charge -0.43 # "Benzonitrile -CN"
set type @atom:205 charge 0.18 # "Chlorobenzene C-Cl"
set type @atom:206 charge -0.18 # "Chlorobenzene C-Cl"
set type @atom:207 charge -0.385 # "N-Phenylacetamide N"
set type @atom:208 charge 0.085 # "N-Phenylacetamide N-CA"
set type @atom:209 charge 0.52 # "Carboxylic Acid -COOH"
set type @atom:210 charge -0.44 # "Carboxylic Acid C=O"
set type @atom:211 charge -0.53 # "Carboxylic Acid -OH"
set type @atom:212 charge 0.45 # "Carboxylic Acid -COOH"
set type @atom:213 charge 0.7 # "Carboxylate COO-"
set type @atom:214 charge -0.8 # "Carboxylate COO-"
set type @atom:215 charge -0.28 # "Carboxylate CH3-COO-"
set type @atom:216 charge -0.22 # "Carboxylate RCH2-COO-"
set type @atom:217 charge -0.16 # "Carboxylate R2CH-COO-"
set type @atom:218 charge -0.1 # "Carboxylate R3C-COO-"
set type @atom:219 charge 0.45 # "Aldehyde/Acyl Halide C=O"
set type @atom:220 charge -0.45 # "Aldehyde/Acyl Halide C=O"
set type @atom:221 charge 0.0 # "Aldehyde/Formamide H-C=O"
set type @atom:222 charge 0.47 # "Ketone C=O"
set type @atom:223 charge -0.47 # "Ketone C=O"
set type @atom:224 charge 0.06 # "Acyl H-C-COX"
set type @atom:225 charge 0.04 # "C-Terminal ALA CA"
set type @atom:226 charge -0.02 # "C-Terminal GLY CA"
set type @atom:227 charge 0.1 # "C-Terminal AIB CA"
set type @atom:228 charge -0.09 # "C-Terminal PRO CA"
set type @atom:229 charge -0.4 # "Ammonium NH4+"
set type @atom:230 charge -0.3 # "Ammonium RNH3+"
set type @atom:231 charge 0.0 # "Ammonium R4N+"
set type @atom:232 charge 0.35 # "Ammonium NH4+"
set type @atom:233 charge 0.33 # "Ammonium RNH3+"
set type @atom:234 charge 0.13 # "Ammonium CH3-NH3+"
set type @atom:235 charge 0.19 # "CH3NH3+/N-Term GLY CA"
set type @atom:236 charge 0.25 # "RCH2NH3+/N-Term ALA CA"
set type @atom:237 charge 0.31 # "R3C-NH3+/N-Term AIB CA"
set type @atom:238 charge 0.23 # "N-Terminal PRO CA"
set type @atom:239 charge 0.17 # "N-Terminal PRO CD"
set type @atom:240 charge 0.11 # "Ammonium CH3-NH2R+"
set type @atom:241 charge 0.09 # "GLY Zwitterion CA"
set type @atom:242 charge 0.15 # "ALA Zwitterion CA"
set type @atom:243 charge -0.8 # "Guanidinium -NH2"
set type @atom:244 charge 0.46 # "Guanidinium -NH2"
set type @atom:245 charge 0.64 # "Guanidinium C+"
set type @atom:246 charge -0.7 # "Guanidinium -NHR"
set type @atom:247 charge 0.44 # "Guanidinium -NHR"
set type @atom:248 charge 0.2 # "Me Guanidinium CH3-"
set type @atom:249 charge -0.11 # "Et Guanidinium CH3-"
set type @atom:250 charge 0.19 # "Et Guan -CH2- & ARG CD"
set type @atom:251 charge -0.05 # "Pr Guan -CH2- & ARG CG"
set type @atom:252 charge -0.2 # "Ammonium R2NH2+"
set type @atom:253 charge 0.31 # "Ammonium R2NH2+"
set type @atom:254 charge -0.46 # "Diaminopyridine N1"
set type @atom:255 charge 0.36 # "Diaminopyridine C2"
set type @atom:256 charge -0.85 # "Diaminopyridine -NH2"
set type @atom:257 charge 0.37 # "Diaminopyridine -NH2"
set type @atom:258 charge -0.15 # "Diaminopyridine C3"
set type @atom:259 charge 0.1 # "Diaminopyridine H3"
set type @atom:260 charge -0.04 # "Diaminopyridine C4"
set type @atom:261 charge 0.1 # "Diaminopyridine H4"
set type @atom:262 charge -0.6 # "Uracil & Thymine N1"
set type @atom:263 charge 0.5 # "Uracil & Thymine C2"
set type @atom:264 charge -0.51 # "Uracil & Thymine N3"
set type @atom:265 charge 0.45 # "Uracil & Thymine C4"
set type @atom:266 charge -0.07 # "Uracil & Thymine C5"
set type @atom:267 charge 0.08 # "Uracil & Thymine C6"
set type @atom:268 charge 0.41 # "Uracil & Thymine HN1"
set type @atom:269 charge -0.4 # "Uracil & Thymine O2"
set type @atom:270 charge 0.36 # "Uracil & Thymine HN3"
set type @atom:271 charge -0.42 # "Uracil & Thymine O4"
set type @atom:272 charge 0.1 # "Uracil & Thymine HC5"
set type @atom:273 charge 0.1 # "Uracil & Thymine HC6"
set type @atom:274 charge -0.14 # "Thymine CH3-"
set type @atom:275 charge 0.08 # "Thymine CH3-"
set type @atom:276 charge -0.56 # "Cytosine N1"
set type @atom:277 charge 0.55 # "Cytosine C2"
set type @atom:278 charge -0.54 # "Cytosine N3"
set type @atom:279 charge 0.46 # "Cytosine C4"
set type @atom:280 charge -0.06 # "Cytosine C5"
set type @atom:281 charge 0.1 # "Cytosine C6"
set type @atom:282 charge 0.38 # "Cytosine HN1"
set type @atom:283 charge -0.48 # "Cytosine O2"
set type @atom:284 charge -0.79 # "Cytosine NH2-"
set type @atom:285 charge 0.385 # "Cytosine NH2- (N3)"
set type @atom:286 charge 0.355 # "Cytosine NH2- (C5)"
set type @atom:287 charge 0.1 # "Cytosine HC5"
set type @atom:288 charge 0.1 # "Cytosine HC6"
set type @atom:289 charge -0.53 # "Adenine N1"
set type @atom:290 charge 0.22 # "Adenine C2"
set type @atom:291 charge -0.55 # "Adenine N3"
set type @atom:292 charge 0.38 # "Adenine C4"
set type @atom:293 charge 0.15 # "Adenine C5"
set type @atom:294 charge 0.44 # "Adenine C6"
set type @atom:295 charge -0.49 # "Adenine & Guanine N7"
set type @atom:296 charge 0.2 # "Adenine & Guanine C8"
set type @atom:297 charge -0.5 # "Adenine & Guanine N9"
set type @atom:298 charge 0.2 # "Adenine HC2"
set type @atom:299 charge -0.81 # "Adenine NH2-"
set type @atom:300 charge 0.385 # "Adenine NH2- (N1)"
set type @atom:301 charge 0.355 # "Adenine NH2- (C5)"
set type @atom:302 charge 0.2 # "Adenine & Guanine HC8"
set type @atom:303 charge 0.35 # "Adenine & Guanine HN9"
set type @atom:304 charge -0.56 # "Guanine N1"
set type @atom:305 charge 0.46 # "Guanine C2"
set type @atom:306 charge -0.51 # "Guanine N3"
set type @atom:307 charge 0.34 # "Guanine C4"
set type @atom:308 charge 0.12 # "Guanine C5"
set type @atom:309 charge 0.52 # "Guanine C6"
set type @atom:310 charge 0.38 # "Guanine HN1"
set type @atom:311 charge -0.8 # "Guanine NH2-"
set type @atom:312 charge 0.4 # "Guanine NH2-"
set type @atom:313 charge -0.51 # "Guanine O6"
set type @atom:314 charge -0.01 # "9-Me A & 9-Me-G CH3-"
set type @atom:315 charge 0.12 # "9-Me-A & 9-Me-G CH3-"
set type @atom:316 charge -0.01 # "1-Me-U & 1-Me-T CH3-"
set type @atom:317 charge 0.14 # "1-Me-U & 1-Me-T CH3-"
set type @atom:318 charge -0.01 # "1-Me-Cytosine CH3-"
set type @atom:319 charge 0.13 # "1-Me-Cytosine CH3-"
set type @atom:320 charge -0.64 # "CytosineH+ N1"
set type @atom:321 charge 0.65 # "CytosineH+ C2"
set type @atom:322 charge -0.74 # "CytosineH+ N3"
set type @atom:323 charge 0.66 # "CytosineH+ C4"
set type @atom:324 charge -0.06 # "CytosineH+ C5"
set type @atom:325 charge 0.1 # "CytosineH+ C6"
set type @atom:326 charge 0.49 # "CytosineH+ HN1"
set type @atom:327 charge -0.3 # "CytosineH+ O2"
set type @atom:328 charge 0.48 # "CytosineH+ HN3"
set type @atom:329 charge -0.81 # "CytosineH+ NH2-"
set type @atom:330 charge 0.46 # "CytosineH+ NH2- (N3)"
set type @atom:331 charge 0.43 # "CytosineH+ NH2- (C5)"
set type @atom:332 charge 0.14 # "CytosineH+ HC5"
set type @atom:333 charge 0.14 # "CytosineH+ HC6"
set type @atom:334 charge 0.01 # "1-Me-CytosineH+ CH3-"
set type @atom:335 charge 0.16 # "1-Me-CytosineH+ CH3-"
set type @atom:336 charge 0.78 # "DiMePhosphate P (UA)"
set type @atom:337 charge -0.66 # "DiMePhosphate O=P-O (UA)"
set type @atom:338 charge -0.43 # "DiMePhosphate CH3-O (UA)"
set type @atom:339 charge 0.2 # "DiMePhosphate CH3-O (UA)"
set type @atom:340 charge 0.18 # "Trifluorothymine CF3-"
set type @atom:341 charge -0.06 # "Chloroalkene Cl2-C="
set type @atom:342 charge 0.12 # "Chloroalkene Cl2-C="
set type @atom:343 charge -1.0 # "Fluoride Ion F-"
set type @atom:344 charge -1.0 # "Chloride Ion Cl-"
set type @atom:345 charge -1.0 # "Bromide Ion Br-"
set type @atom:346 charge -1.0 # "Iodide Ion I-"
set type @atom:347 charge 1.0 # "Ammonium Ion NH4+ (UA)"
set type @atom:348 charge 1.0 # "Lithium Ion Li+"
set type @atom:349 charge 1.0 # "Sodium Ion Na+"
set type @atom:350 charge 1.0 # "Potassium Ion K+"
set type @atom:351 charge 1.0 # "Rubidium Ion Rb+"
set type @atom:352 charge 1.0 # "Cesium Ion Cs+"
set type @atom:353 charge 2.0 # "Magnesium Ion Mg+2"
set type @atom:354 charge 2.0 # "Calcium Ion Ca+2"
set type @atom:355 charge 2.0 # "Strontium Ion Sr+2"
set type @atom:356 charge 2.0 # "Barium Ion Ba+2"
set type @atom:357 charge -0.4 # "Methyl Thiolate CH3S-"
set type @atom:358 charge 0.1 # "Methyl Thiolate CH3S-"
set type @atom:359 charge -0.9 # "Methyl Thiolate CH3S-"
set type @atom:360 charge -0.2 # "Methoxide CH3O-"
set type @atom:361 charge 0.06 # "Methoxide CH3O-"
set type @atom:362 charge -0.98 # "Methoxide CH3O-"
set type @atom:363 charge -1.07 # "Nitrile Anion CNCH2-"
set type @atom:364 charge 0.19 # "Nitrile Anion CNCH2-"
set type @atom:365 charge 0.51 # "Nitrile Anion CNCH2-"
set type @atom:366 charge -0.82 # "Nitrile Anion CNCH2-"
set type @atom:367 charge -0.3 # "Me Amine Anion CH3NH-"
set type @atom:368 charge 0.07 # "Me Amine Anion CH3NH-"
set type @atom:369 charge -1.31 # "Me Amine Anion CH3NH-"
set type @atom:370 charge 0.4 # "Methyl Amine Anion"
set type @atom:371 charge -0.4 # "Ethyl Anion CH3-CH2-"
set type @atom:372 charge 0.08 # "Ethyl Anion CH3-CH2-"
set type @atom:373 charge 0.0 # "Ethyl Anion CH3-CH2-"
set type @atom:374 charge 0.07 # "Ethyl Anion CH3-CH2-"
set type @atom:375 charge -0.98 # "Ethyl Anion CH3-CH2-"
set type @atom:376 charge -1.3 # "Hydroxide Ion OH-"
set type @atom:377 charge 0.3 # "Hydroxide Ion OH-"
set type @atom:378 charge 2.5 # "Uranyl Ion UO2+"
set type @atom:379 charge -0.25 # "Uranyl Ion UO2+"
set type @atom:380 charge -0.865 # "GTP O-(POn)2"
set type @atom:381 charge 1.62 # "DiMe Phosphate P"
set type @atom:382 charge -0.92 # "DiMe Phosphate O=P-O"
set type @atom:383 charge -0.6 # "DiMe Phosphate CH3-O"
set type @atom:384 charge 0.3 # "DiMe Phosphate CH3-O"
set type @atom:385 charge -0.03 # "DiMe Phosphate CH3-O"
set type @atom:386 charge 1.92 # "Me Phosphate P"
set type @atom:387 charge -1.12 # "Me Phosphate O=PO2"
set type @atom:388 charge -0.7 # "Me Phosphate CH3-O"
set type @atom:389 charge 0.44 # "Me Phosphate CH3-O"
set type @atom:390 charge -0.1 # "Me Phosphate CH3-O"
set type @atom:391 charge 1.62 # "Me MePhosphonate P"
set type @atom:392 charge -0.97 # "Me MePhosphonate O=P-O"
set type @atom:393 charge -0.63 # "Me MePhosphonate CH3-O"
set type @atom:394 charge 0.28 # "Me MePhosphonate CH3-O"
set type @atom:395 charge -0.02 # "Me MePhosphonate CH3-O"
set type @atom:396 charge -0.51 # "Me MePhosphonate CH3-P"
set type @atom:397 charge 0.08 # "Me MePhosphonate CH3-P"
set type @atom:398 charge -0.14 # "Bz MePhosphonate Cipso"
set type @atom:399 charge 0.32 # "Bz MePhosphonate CH3-O"
set type @atom:400 charge 0.02 # "Bz MePhosphonate CH3-O"
set type @atom:401 charge -0.04 # "Me BzPhosphonate Cipso"
set type @atom:402 charge -0.47 # "Me BzPhosphonate CH3-P"
set type @atom:403 charge 0.12 # "Me BzPhosphonate CH3-P"
set type @atom:404 charge 0.14 # "Ph Phosphate Cipso"
set type @atom:405 charge 0.24 # "Barbiturate C6(R2)"
set type @atom:406 charge 0.51 # "Ester -COOR"
set type @atom:407 charge -0.43 # "Ester C=O"
set type @atom:408 charge -0.33 # "Ester CO-O-R"
set type @atom:409 charge 0.16 # "Methyl Ester -OCH3"
set type @atom:410 charge 0.03 # "Ester -OCH<"
set type @atom:411 charge 0.635 # "Benzoic Acid -COOH"
set type @atom:412 charge 0.625 # "Aryl Ester -COOR"
set type @atom:413 charge 0.135 # "Phenyl Ester Cipso"
set type @atom:414 charge -0.215 # "Phenyl Ester -OPh"
set type @atom:415 charge 1.48 # "Sulfonamide -SO2N<"
set type @atom:416 charge -0.68 # "Sulfonamide -SO2N<"
set type @atom:417 charge -0.54 # "Sulfonamide CH3-S"
set type @atom:418 charge 0.18 # "Sulfonamide CH3-S"
set type @atom:419 charge -1.0 # "Sulfonamide -SO2NH2"
set type @atom:420 charge 0.44 # "Sulfonamide -SO2NH2"
set type @atom:421 charge -0.8 # "Sulfonamide -SO2NHR"
set type @atom:422 charge 0.41 # "Sulfonamide -SO2NHR"
set type @atom:423 charge 0.18 # "N-Me Sulfonamide CH3-"
set type @atom:424 charge 0.03 # "N-Me Sulfonamide CH3-"
set type @atom:425 charge 0.39 # "Sulfonamide N-CH2-R"
set type @atom:426 charge -0.06 # "Sulfonamide N-CH2-R"
set type @atom:427 charge -0.18 # "N-Et Sulfonamide CH3-"
set type @atom:428 charge 0.06 # "N-Et Sulfonamide CH3-"
set type @atom:429 charge 0.0 # "Aryl Sulfonamide C-SO2N"
set type @atom:430 charge 0.03 # "Aryl Sulfoxide C-S=O"
set type @atom:431 charge 0.19 # "Et Ester -OCH2R"
set type @atom:432 charge 0.22 # "i-Pr Ester -OCHR2"
set type @atom:433 charge 0.25 # "t-Bu Ester -OCR3"
set type @atom:434 charge 1.374 # "Sulfone R-SO2-R"
set type @atom:435 charge -0.687 # "Sulfone R-SO2-R"
set type @atom:436 charge 0.245 # "Alkyl Aryl Sulfoxide"
set type @atom:437 charge 0.13 # "Dialkyl Sulfoxide"
set type @atom:438 charge -0.42 # "Sulfoxide R-SO-R"
set type @atom:439 charge -0.035 # "Sulfoxide CH3-SO-R"
set type @atom:440 charge 0.025 # "Sulfoxide -CH2-SO-R"
set type @atom:441 charge 0.075 # "TRP CG"
set type @atom:442 charge -0.055 # "TRP CD"
set type @atom:443 charge 0.13 # "TRP CE"
set type @atom:444 charge -0.57 # "TRP NE, HID ND & HIE NE"
set type @atom:445 charge 0.42 # "TRP HNE & HID/HIE HN"
set type @atom:446 charge -0.005 # "HIS CB"
set type @atom:447 charge 0.295 # "HID & HIE CE1"
set type @atom:448 charge -0.015 # "HID CD2 & HIE CG"
set type @atom:449 charge 0.015 # "HID CG & HIE CD2"
set type @atom:450 charge 0.385 # "HIP CE1"
set type @atom:451 charge 0.215 # "HIP CG & CD2"
set type @atom:452 charge -0.49 # "HID NE & HIE ND"
set type @atom:453 charge -0.54 # "HIP ND & NE"
set type @atom:454 charge 0.46 # "HIP HND & HNE"
set type @atom:455 charge -0.115 # "TRP CD1"
set type @atom:456 charge 0.055 # "i-Pr Benzene -CHMe2"
set type @atom:457 charge 0.115 # "t-Bu Benzene -CMe3"
set type @atom:458 charge -0.03 # "Vinyl Ether =CH-OR"
set type @atom:459 charge 0.085 # "Vinyl Ether =CR-OR"
set type @atom:460 charge 0.0 # "Biphenyl C1"
set type @atom:461 charge -0.678 # "Pyridine N"
set type @atom:462 charge 0.473 # "Pyridine C1"
set type @atom:463 charge -0.447 # "Pyridine C2"
set type @atom:464 charge 0.227 # "Pyridine C3"
set type @atom:465 charge 0.012 # "Pyridine H1"
set type @atom:466 charge 0.155 # "Pyridine H2"
set type @atom:467 charge 0.065 # "Pyridine H3"
set type @atom:468 charge -0.468 # "Pyrazine N"
set type @atom:469 charge 0.192 # "Pyrazine CH"
set type @atom:470 charge 0.042 # "Pyrazine CH"
set type @atom:471 charge -0.839 # "Pyrimidine N"
set type @atom:472 charge 0.874 # "Pyrimidine C2"
set type @atom:473 charge 0.653 # "Pyrimidine C4"
set type @atom:474 charge -0.689 # "Pyrimidine C5"
set type @atom:475 charge -0.032 # "Pyrimidine HC2"
set type @atom:476 charge 0.011 # "Pyrimidine HC4"
set type @atom:477 charge 0.197 # "Pyrimidine HC5"
set type @atom:478 charge -0.331 # "Pyridazine N"
set type @atom:479 charge 0.378 # "Pyridazine C3"
set type @atom:480 charge -0.16 # "Pyridazine C4"
set type @atom:481 charge -0.009 # "Pyridazine HC3"
set type @atom:482 charge 0.122 # "Pyridazine HC4"
set type @atom:483 charge -0.239 # "Pyrrole N"
set type @atom:484 charge -0.163 # "Pyrrole C2"
set type @atom:485 charge -0.149 # "Pyrrole C3"
set type @atom:486 charge 0.317 # "Pyrrole HN"
set type @atom:487 charge 0.155 # "Pyrrole HC2"
set type @atom:488 charge 0.118 # "Pyrrole HC3"
set type @atom:489 charge -0.059 # "Pyrazole N1"
set type @atom:490 charge -0.491 # "Pyrazole N2"
set type @atom:491 charge 0.246 # "Pyrazole C3"
set type @atom:492 charge -0.32 # "Pyrazole C4"
set type @atom:493 charge -0.034 # "Pyrazole C5"
set type @atom:494 charge 0.301 # "Pyrazole HN1"
set type @atom:495 charge 0.072 # "Pyrazole HC3"
set type @atom:496 charge 0.15 # "Pyrazole HC4"
set type @atom:497 charge 0.135 # "Pyrazole HC5"
set type @atom:498 charge -0.257 # "Imidazole N1"
set type @atom:499 charge 0.275 # "Imidazole C2"
set type @atom:500 charge -0.563 # "Imidazole N3"
set type @atom:501 charge 0.185 # "Imidazole C4"
set type @atom:502 charge -0.286 # "Imidazole C5"
set type @atom:503 charge 0.306 # "Imidazole HN1"
set type @atom:504 charge 0.078 # "Imidazole HC2"
set type @atom:505 charge 0.075 # "Imidazole HC4"
set type @atom:506 charge 0.187 # "Imidazole HC5"
set type @atom:507 charge -0.19 # "Furan O"
set type @atom:508 charge -0.019 # "Furan C2"
set type @atom:509 charge -0.154 # "Furan C3"
set type @atom:510 charge 0.142 # "Furan HC2"
set type @atom:511 charge 0.126 # "Furan HC3"
set type @atom:512 charge -0.257 # "Oxazole O"
set type @atom:513 charge 0.511 # "Oxazole C2"
set type @atom:514 charge -0.59 # "Oxazole N"
set type @atom:515 charge 0.169 # "Oxazole C4"
set type @atom:516 charge -0.148 # "Oxazole C5"
set type @atom:517 charge 0.043 # "Oxazole HC2"
set type @atom:518 charge 0.091 # "Oxazole HC4"
set type @atom:519 charge 0.181 # "Oxazole HC5"
set type @atom:520 charge -0.122 # "Isoxazole O"
set type @atom:521 charge -0.413 # "Isoxazole N"
set type @atom:522 charge 0.405 # "Isoxazole C3"
set type @atom:523 charge -0.455 # "Isoxazole C4"
set type @atom:524 charge 0.25 # "Isoxazole C5"
set type @atom:525 charge 0.053 # "Isoxazole HC3"
set type @atom:526 charge 0.184 # "Isoxazole HC4"
set type @atom:527 charge 0.098 # "Isoxazole HC5"
set type @atom:528 charge -0.5 # "Indole N1"
set type @atom:529 charge 0.001 # "Indole C2"
set type @atom:530 charge -0.39 # "Indole C3"
set type @atom:531 charge -0.27 # "Indole C4"
set type @atom:532 charge -0.127 # "Indole C5"
set type @atom:533 charge -0.108 # "Indole C6"
set type @atom:534 charge -0.258 # "Indole C7"
set type @atom:535 charge 0.22 # "Indole C8"
set type @atom:536 charge 0.225 # "Indole C9"
set type @atom:537 charge 0.376 # "Indole HN1"
set type @atom:538 charge 0.147 # "Indole HC2"
set type @atom:539 charge 0.172 # "Indole HC3"
set type @atom:540 charge 0.155 # "Indole HC4"
set type @atom:541 charge 0.107 # "Indole HC5"
set type @atom:542 charge 0.11 # "Indole HC6"
set type @atom:543 charge 0.14 # "Indole HC7"
set type @atom:544 charge -0.694 # "Quinoline N1"
set type @atom:545 charge 0.425 # "Quinoline C2"
set type @atom:546 charge -0.359 # "Quinoline C3"
set type @atom:547 charge -0.008 # "Quinoline C4"
set type @atom:548 charge -0.197 # "Quinoline C5"
set type @atom:549 charge -0.112 # "Quinoline C6"
set type @atom:550 charge -0.07 # "Quinoline C7"
set type @atom:551 charge -0.307 # "Quinoline C8"
set type @atom:552 charge 0.563 # "Quinoline C9"
set type @atom:553 charge -0.051 # "Quinoline C10"
set type @atom:554 charge 0.028 # "Quinoline HC2"
set type @atom:555 charge 0.146 # "Quinoline HC3"
set type @atom:556 charge 0.119 # "Quinoline HC4"
set type @atom:557 charge 0.133 # "Quinoline HC5"
set type @atom:558 charge 0.113 # "Quinoline HC6"
set type @atom:559 charge 0.114 # "Quinoline HC7"
set type @atom:560 charge 0.157 # "Quinoline HC8"
set type @atom:561 charge -0.76 # "Purine N1"
set type @atom:562 charge 0.679 # "Purine C2"
set type @atom:563 charge -0.788 # "Purine N3"
set type @atom:564 charge 0.736 # "Purine C4"
set type @atom:565 charge 0.038 # "Purine C5"
set type @atom:566 charge 0.343 # "Purine C6"
set type @atom:567 charge -0.642 # "Purine N7"
set type @atom:568 charge 0.452 # "Purine C8"
set type @atom:569 charge -0.682 # "Purine N9"
set type @atom:570 charge 0.024 # "Purine HC2"
set type @atom:571 charge 0.101 # "Purine HC6"
set type @atom:572 charge 0.086 # "Purine HC8"
set type @atom:573 charge 0.413 # "Purine HN9"
set type @atom:574 charge -0.03 # "Thiazole S"
set type @atom:575 charge 0.242 # "Thiazole C2"
set type @atom:576 charge -0.515 # "Thiazole N"
set type @atom:577 charge 0.228 # "Thiazole C4"
set type @atom:578 charge -0.299 # "Thiazole C5"
set type @atom:579 charge 0.101 # "Thiazole HC2"
set type @atom:580 charge 0.068 # "Thiazole HC4"
set type @atom:581 charge 0.205 # "Thiazole HC5"
set type @atom:582 charge -0.951 # "1,3,5-Triazine N"
set type @atom:583 charge 0.965 # "1,3,5-Triazine CH"
set type @atom:584 charge -0.014 # "1,3,5-Triazine CH"
set type @atom:585 charge 0.13 # "Serotonin C5-OH"
set type @atom:586 charge 0.052 # "Serotonin CH2 on C3"
set type @atom:587 charge -0.599 # "1,10-Phenanthroline N"
set type @atom:588 charge 0.392 # "1,10-Phenanthroline C2"
set type @atom:589 charge -0.348 # "1,10-Phenanthroline C3"
set type @atom:590 charge 0.02 # "1,10-Phenanthroline C4"
set type @atom:591 charge -0.042 # "1,10-Phenanthroline C12"
set type @atom:592 charge 0.347 # "1,10-Phenanthroline C11"
set type @atom:593 charge -0.196 # "1,10-Phenanthroline C5"
set type @atom:594 charge 0.032 # "1,10-Phenanthroline HC2"
set type @atom:595 charge 0.146 # "1,10-Phenanthroline HC3"
set type @atom:596 charge 0.108 # "1,10-Phenanthroline HC4"
set type @atom:597 charge 0.14 # "1,10-Phenanthroline HC5"
set type @atom:598 charge 0.122 # "1-Methylimidazole N1"
set type @atom:599 charge 0.166 # "1-Methylimidazole C2"
set type @atom:600 charge -0.58 # "1-Methylimidazole N3"
set type @atom:601 charge 0.173 # "1-Methylimidazole C4"
set type @atom:602 charge -0.395 # "1-Methylimidazole C5"
set type @atom:603 charge -0.199 # "1-Methylimidazole CH3-"
set type @atom:604 charge 0.118 # "1-Methylimidazole HC2"
set type @atom:605 charge 0.093 # "1-Methylimidazole HC4"
set type @atom:606 charge 0.208 # "1-Methylimidazole HC5"
set type @atom:607 charge 0.098 # "1-Methylimidazole CH3-"
set type @atom:608 charge -0.139 # "1-Et Imidazole RCH2-"
set type @atom:609 charge -0.079 # "1-iPr Imidazole R2CH-"
set type @atom:610 charge 0.099 # "1-MeO-Me-Imidazole CH2"
set type @atom:611 charge -0.168 # "2-Me Pyridine CH3"
set type @atom:612 charge -0.108 # "2-Et Pyridine CH2"
set type @atom:613 charge -0.189 # "3-Me Pyridazine CH3"
set type @atom:614 charge -0.129 # "3-Et Pyridazine CH2"
set type @atom:615 charge -0.169 # "4-Me Pyrimidine CH3"
set type @atom:616 charge -0.109 # "4-Et Pyrimidine CH2"
set type @atom:617 charge -0.138 # "2-Me Pyrazine CH3"
set type @atom:618 charge -0.078 # "2-Et Pyrazine CH2"
set type @atom:619 charge -0.025 # "2-Me Pyrrole CH3"
set type @atom:620 charge 0.035 # "2-Et Pyrrole CH2"
set type @atom:621 charge -0.038 # "2-Me Furan CH3"
set type @atom:622 charge 0.022 # "2-Et Furan CH2"
set type @atom:623 charge -0.334 # "6-Mercaptopurine SH"
set type @atom:624 charge 0.255 # "6-Mercaptopurine SH"
set type @atom:625 charge 0.523 # "6-Mercaptopurine C6"
set type @atom:626 charge 0.5 # "Beta-Lactam N-C=O"
set type @atom:627 charge -0.14 # "Beta-Lactam N-C=O"
set type @atom:628 charge 0.2275 # "Penicillin CH-N"
set type @atom:629 charge 0.14 # "Penicillin CH-CO"
set type @atom:630 charge -0.008 # "3-Me Indole CH3"
set type @atom:631 charge 0.588 # "2-Phenyl Pyridine C2"
set type @atom:632 charge -0.103 # "2-Phenyl Pyridine C2'"
set type @atom:633 charge -0.332 # "2-Phenyl Pyridine C3"
set type @atom:634 charge 0.04 # "2-Phenyl Pyridine C3'"
set type @atom:635 charge 0.342 # "2-Phenyl Pyridine C4"
set type @atom:636 charge -0.05 # "2-Phenyl Pyridine C4'"
set type @atom:637 charge -0.205 # "Diphenyl Thioether S"
set type @atom:638 charge 3.0 # "Actinium Ion Ac+3"
set type @atom:639 charge 4.0 # "Thorium Ion Th+4"
set type @atom:640 charge 3.0 # "Americium Ion Am+3"
set type @atom:641 charge 0.619 # "t-Butyl Cation C+"
set type @atom:642 charge -0.395 # "t-Butyl Cation CH3-"
set type @atom:643 charge 0.174 # "t-Butyl Cation CH3-"
set type @atom:644 charge 3.0 # "Lanthanum Ion La+3"
set type @atom:645 charge 3.0 # "Neodymium Ion Nd+3"
set type @atom:646 charge 3.0 # "Europium Ion Eu+3"
set type @atom:647 charge 3.0 # "Gadolinium Ion Gd+3"
set type @atom:648 charge 3.0 # "Ytterbium Ion Yb+3"
set type @atom:649 charge -0.344 # "Cl..CH3..Cl- Sn2 TS"
set type @atom:650 charge -0.628 # "Cl..CH3..Cl- Sn2 TS"
set type @atom:651 charge 0.2 # "Cl..CH3..Cl- Sn2 TS"
set type @atom:652 charge -0.12 # "Cyclopropane -CH2-"
set type @atom:653 charge -0.06 # "Cyclopropane -CHR-"
set type @atom:654 charge 0.0 # "Cyclopropane -CR2-"
set type @atom:655 charge -0.23 # "Cyclopentadienyl Anion"
set type @atom:656 charge 0.03 # "Cyclopentadienyl Anion"
set type @atom:657 charge -0.099 # "Cyclopentadienyl Radical"
set type @atom:658 charge 0.099 # "Cyclopentadienyl Radical"
set type @atom:659 charge 0.22 # "Fluorobenzene CF"
set type @atom:660 charge -0.22 # "Fluorobenzene CF"
set type @atom:661 charge 0.13 # "Hexafluorobenzene CF"
set type @atom:662 charge -0.13 # "Hexafluorobenzene CF"
set type @atom:663 charge -0.22 # "Bromide -CH2-Br (UA)"
set type @atom:664 charge 0.22 # "Bromide -CH2-Br (UA)"
set type @atom:665 charge 0.15 # "TrifluoroMeBenzene C-CF3"
set type @atom:666 charge 0.45 # "TrifluoroMeBenzene CF3-"
set type @atom:667 charge -0.2 # "TrifluoroMeBenzene CF3-"
set type @atom:668 charge 0.2 # "Difluorobenzene CF"
set type @atom:669 charge -0.2 # "Difluorobenzene CF"
set type @atom:670 charge 0.2 # "Bromobenzene CBr"
set type @atom:671 charge -0.2 # "Bromobenzene CBr"
set type @atom:672 charge 0.1 # "Iodobenzene CI"
set type @atom:673 charge -0.1 # "Iodobenzene CI"
set type @atom:674 charge 0.055 # "cProp/cBut Benzene C-Ar"
set type @atom:675 charge -0.22 # "Thiophenol SH"
set type @atom:676 charge 0.065 # "Thiophenol C-SH"
set type @atom:677 charge 0.013 # "Benzamidine CG"
set type @atom:678 charge -0.106 # "Benzamidine CD"
set type @atom:679 charge -0.09 # "Benzamidine CE"
set type @atom:680 charge -0.119 # "Benzamidine CZ"
set type @atom:681 charge 0.141 # "Benzamidine HCD"
set type @atom:682 charge 0.129 # "Benzamidine HCE"
set type @atom:683 charge 0.827 # "Benzamidine C+"
set type @atom:684 charge -0.885 # "Benzamidine -NH2"
set type @atom:685 charge 0.426 # "Benzamidine H1-N"
set type @atom:686 charge 0.465 # "Benzamidine H2-N"
set type @atom:687 charge 0.119 # "Benzamidine HCG"
set type @atom:688 charge -0.02 # "Neutral MeGdn CH3-"
set type @atom:689 charge 0.04 # "Neutral ARG CD"
set type @atom:690 charge -0.62 # "Neutral ARG NE"
set type @atom:691 charge -0.785 # "Neutral ARG N1 (HN=C)"
set type @atom:692 charge -0.785 # "Neutral ARG N2 (H2N-C)"
set type @atom:693 charge 0.55 # "Neutral ARG CZ (>C=)"
set type @atom:694 charge -0.56 # "Alkyl Nitrile -CN"
set type @atom:695 charge 0.46 # "Alkyl Nitrile -CN"
set type @atom:696 charge -0.08 # "Acetonitrile CH3-CN"
set type @atom:697 charge -0.02 # "Alkyl Nitrile RCH2-CN"
set type @atom:698 charge 0.04 # "Alkyl Nitrile R2CH-CN"
set type @atom:699 charge 0.1 # "Alkyl Nitrile R3C-CN"
set type @atom:700 charge 0.06 # "Alkyl Nitrile H-C-CN"
set type @atom:701 charge 0.54 # "Nitroalkane -NO2"
set type @atom:702 charge -0.37 # "Nitroalkane -NO2"
set type @atom:703 charge 0.02 # "Nitromethane CH3-NO2"
set type @atom:704 charge 0.06 # "Nitroalkane H-C-NO2"
set type @atom:705 charge 0.08 # "Nitroalkane RCH2-NO2"
set type @atom:706 charge 0.14 # "Nitroalkane R2CH-NO2"
set type @atom:707 charge 0.2 # "Nitroalkane R3C-NO2"
set type @atom:708 charge 0.65 # "Nitrobenzene -NO2"
set type @atom:709 charge 0.09 # "Nitrobenzene C-NO2"
set type @atom:710 charge 0.035 # "Benzonitrile -CH2-"
set type @atom:711 charge -0.9 # "Neutral Benzamidine N"
set type @atom:712 charge -0.5 # "Propylene Carbonate C=O"
set type @atom:713 charge 0.86 # "Propylene Carbonate C=O"
set type @atom:714 charge -0.45 # "Propylene Carbonate C-O"
set type @atom:715 charge 0.21 # "Propylene Carbonate CH2"
set type @atom:716 charge 0.16 # "Propylene Carbonate CH"
set type @atom:717 charge -0.1 # "Propylene Carbonate CH3"
set type @atom:718 charge 0.03 # "Propylene Carbonate CH2"
set type @atom:719 charge 0.03 # "Propylene Carbonate CH"
set type @atom:720 charge 0.06 # "Propylene Carbonate CH3"
set type @atom:721 charge -0.78 # "GTP O-(POn)2"
set type @atom:722 charge 0.9684 # "Phosphonium R4P+"
set type @atom:723 charge -0.5081 # "Phosphonium CH3-PR3+"
set type @atom:724 charge -0.008 # "Phosphonium RCH2-PR3+"
set type @atom:725 charge 0.172 # "Phosphonium CH3-PR3+"
set type @atom:726 charge 1.34 # "Hexafluorophosphate Ion"
set type @atom:727 charge -0.39 # "Hexafluorophosphate Ion"
set type @atom:728 charge 0.794 # "Nitrate Ion NO3-"
set type @atom:729 charge -0.598 # "Nitrate Ion NO3-"
set type @atom:730 charge -0.9 # "Amine RNH2"
set type @atom:731 charge -0.78 # "Amine R2NH"
set type @atom:732 charge -0.63 # "Amine R3N"
set type @atom:733 charge 0.0 # "Amine CH3-NH2"
set type @atom:734 charge 0.02 # "Amine CH3-NHR"
set type @atom:735 charge 0.03 # "Amine CH3-NR2"
set type @atom:736 charge 0.06 # "Amine RCH2-NH2"
set type @atom:737 charge 0.08 # "Amine RCH2-NHR"
set type @atom:738 charge 0.09 # "Amine RCH2-NR2"
set type @atom:739 charge 0.36 # "Amine RNH2"
set type @atom:740 charge 0.38 # "Amine R2NH"
set type @atom:741 charge 0.06 # "Amine H-C-N"
set type @atom:742 charge 0.12 # "Amine R2CH-NH2"
set type @atom:743 charge 0.18 # "Amine R3C-NH2"
set type @atom:744 charge 0.14 # "Amine R2CH-NHR"
set type @atom:745 charge 0.15 # "Amine R2CH-NR2"
set type @atom:746 charge 0.18 # "Aniline C-NH2"
set type @atom:747 charge 0.2 # "N-Me Aniline C-NHR"
set type @atom:748 charge 0.21 # "N-DiMe Aniline C-NR2"
set type @atom:749 charge 0.115 # "Benzyl Amine -CH2NH2"
set type @atom:750 charge 0.175 # "Benzyl Amine -CHRNH2"
set type @atom:751 charge 0.235 # "Benzyl Amine -CR2NH2"
set type @atom:752 charge 0.195 # "Benzyl Ether -CH2OR"
set type @atom:753 charge 0.1525 # "Benzyl Sulfide -CH2SH"
set type @atom:754 charge 0.135 # "Benzyl Amine -CH2NHR"
set type @atom:755 charge -0.21 # "Alkyne HCC-"
set type @atom:756 charge 0.2 # "Alkyne HCC-"
set type @atom:757 charge 0.01 # "Alkyne RCCH R w/ 2/3 H"
set type @atom:758 charge 0.01 # "Alkyne RCCH R w/ 1 H"
set type @atom:759 charge 0.01 # "Alkyne RCCH R w/ O H/Ph"
set type @atom:760 charge 0.06 # "Alkyne H-C-CC-"
set type @atom:761 charge 0.45 # "A & G Sugar C1'"
set type @atom:762 charge 0.48 # "C Sugar C1'"
set type @atom:763 charge 0.51 # "U & T Sugar C1'"
set type @atom:764 charge -0.655 # "Sugar O5'"
set type @atom:765 charge 0.39 # "Sugar H3' (-OH)"
set type @atom:766 charge -0.5 # "A & G Nucleoside N9"
set type @atom:767 charge -0.56 # "C Nucleoside N1"
set type @atom:768 charge -0.6 # "U & T Nucleoside N1"
set type @atom:769 charge 0.0 # "Alkyne RCCR"
set type @atom:770 charge -0.1 # "Ammonium R3NH+"
set type @atom:771 charge 0.29 # "Ammonium R3NH+"
set type @atom:772 charge 0.09 # "Ammonium CH3-NHR2+"
set type @atom:773 charge 0.15 # "Ammonium RCH2-NHR2+"
set type @atom:774 charge 0.21 # "Ammonium R2CH-NHR2+"
set type @atom:775 charge 0.27 # "Ammonium R3C-NHR2+"
set type @atom:776 charge 0.096 # "2-Phenyl Furan C2"
set type @atom:777 charge -0.039 # "2-Phenyl Furan C3"
set type @atom:778 charge 0.027 # "2-Phenyl Furan C2'"
set type @atom:779 charge 0.011 # "2-Phenyl Furan C3'"
set type @atom:780 charge 0.074 # "GLY Zwitterion HA"
set type @atom:781 charge -0.029 # "GLY Zwitterion CA"
set type @atom:782 charge 0.7 # "GLY Zwitterion C"
set type @atom:783 charge -0.352 # "GLY Zwitterion N"
set type @atom:784 charge -0.709 # "GLY Zwitterion O"
set type @atom:785 charge 0.317 # "GLY Zwitterion HN"
set type @atom:786 charge -0.22 # "Alkyl Fluoride C-F"
set type @atom:787 charge 0.02 # "Alkyl Fluoride RCH2-F"
set type @atom:788 charge 0.1 # "Alkyl Fluoride H-C-F"
set type @atom:789 charge 0.12 # "Alkyl Fluoride R2CH-F"
set type @atom:790 charge 0.22 # "Alkyl Fluoride R3C-F"
set type @atom:791 charge 0.36 # "Perfluoroalkane CF3-"
set type @atom:792 charge 0.24 # "Perfluoroalkane -CF2-"
set type @atom:793 charge 0.12 # "Perfluoroalkane >CF-"
set type @atom:794 charge 0.48 # "Tetrafluoromethane CF4"
set type @atom:795 charge -0.12 # "Perfluoroalkane C-F"
set type @atom:796 charge 0.25 # "DifluoroMeBenzene -CHF2"
set type @atom:797 charge 0.15 # "DifluoroMeBenzene -CHF2"
set type @atom:798 charge -0.08 # "Fluoroacetate FCH2-COO-"
set type @atom:799 charge -0.106 # "Chloroacetate ClCH2-COO-"
set type @atom:800 charge -0.2 # "Alkyl Chloride C-Cl"
set type @atom:801 charge -0.006 # "Alkyl Chloride RCH2-Cl"
set type @atom:802 charge 0.103 # "Alkyl Chloride H-C-Cl"
set type @atom:803 charge 0.097 # "Alkyl Chloride R2CH-Cl"
set type @atom:804 charge 0.2 # "Alkyl Chloride R3C-Cl"
set type @atom:805 charge -0.2 # "Alkyl Bromide C-Br"
set type @atom:806 charge -0.006 # "Alkyl Bromide RCH2-Br"
set type @atom:807 charge 0.103 # "Alkyl Bromide H-C-Br"
set type @atom:808 charge 0.097 # "Alkyl Bromide R2CH-Br"
set type @atom:809 charge 0.2 # "Alkyl Bromide R3C-Br"
set type @atom:810 charge -0.08 # "Acyl Fluoride F-C=O"
set type @atom:811 charge -0.08 # "Acyl Chloride Cl-C=O"
set type @atom:812 charge -0.08 # "Acyl Bromide Br-C=O"
set type @atom:813 charge 0.1 # "Trifluoroanisole C-OCF3"
set type @atom:814 charge -0.25 # "Trifluoroanisole -OCF3"
set type @atom:815 charge 0.6 # "Trifluoroanisole -OCF3"
set type @atom:816 charge -0.15 # "Trifluoroanisole -OCF3"
set type @atom:817 charge -0.025 # "N-Me,N-PhAcetamide N"
set type @atom:818 charge -0.045 # "N-Me,N-PhAcetamide Cipso"
set type @atom:819 charge 0.145 # "Benzyl Amine -CH2NR2"
set type @atom:820 charge 0.888 # "Alkyl Hydroxamic Acid C"
set type @atom:821 charge 1.003 # "Aryl Hydroxamic Acid C"
set type @atom:822 charge -0.658 # "Hydroxamic Acid C=O"
set type @atom:823 charge -0.634 # "Hydroxamic Acid N"
set type @atom:824 charge 0.411 # "Hydroxamic Acid HN"
set type @atom:825 charge -0.442 # "Hydroxamic Acid OH"
set type @atom:826 charge 0.435 # "Hydroxamic Acid OH"
set type @atom:827 charge 0.225 # "Benzyl Ether -CHROR"
set type @atom:828 charge 0.255 # "Benzyl Ether -CR2OR"
set type @atom:829 charge -0.034 # "3-Phenyl Pyrrole C3"
set type @atom:830 charge 0.003 # "3-Phenyl Pyrrole C3'"
set type @atom:831 charge 0.3 # "4-Phenyl Imidazole C4"
set type @atom:832 charge -0.04 # "4-Phenyl Imidazole C4'"
set type @atom:833 charge -0.0575 # "Diphenylmethane Cipso"
set type @atom:834 charge 2.0 # "Zinc Ion Zn+2"
set type @atom:835 charge -0.07 # "Alkyl Iodide RCH2-I"
set type @atom:836 charge 0.03 # "Alkyl Iodide R2CH-I"
set type @atom:837 charge 0.13 # "Alkyl Iodide R3C-I"
set type @atom:838 charge -0.13 # "Alkyl Iodide C-I"
set type @atom:839 charge 0.1 # "Alkyl Iodide H-C-I"
set type @atom:840 charge -0.685 # "N-Ph Sulfonamide -NHPh"
set type @atom:841 charge 0.155 # "N-Ph Sulfonamide Cipso"
set type @atom:842 charge -0.1 # "Benzoate C-COO-"
set type @atom:843 charge -0.427 # "N-Phenyl Urea N"
set type @atom:844 charge 0.218 # "N-Phenyl Urea Cipso"
set type @atom:845 charge 0.6 # "Tertiary Amide -CO-NR2"
set type @atom:846 charge -0.6 # "Tertiary Amide -CO-NR2"
set type @atom:847 charge -0.36 # "Tertiary Amide -CO-NR2"
set type @atom:848 charge 0.0 # "Tertiary Amide -NRCH3"
set type @atom:849 charge 0.06 # "Tertiary Amide -NRCH2R"
set type @atom:850 charge 0.12 # "Tertiary Amide -NRCHR2"
set type @atom:851 charge 0.18 # "Tertiary Amide -NRCR3"
set type @atom:852 charge 0.06 # "Tertiary Amide H-C-N"
set type @atom:853 charge 0.57 # "Tertiary Formamide C=O"
set type @atom:854 charge -0.57 # "Tertiary Formamide C=O"
set type @atom:855 charge 0.0 # "Tertiary Formamide H-C=O"
set type @atom:856 charge 0.02 # "B2-Peptide CA"
set type @atom:857 charge -0.04 # "B3-Peptide CA Main/N-Ter"
set type @atom:858 charge 0.0 # "B3-Pep CB GLY Main/C-Ter"
set type @atom:859 charge 0.06 # "B3-Pep CB ALA Main/C-Ter"
set type @atom:860 charge -0.07 # "B3-Pep CB PRO Main/C-Ter"
set type @atom:861 charge -0.14 # "B3-Peptide CA C-Ter"
set type @atom:862 charge 0.17 # "B3-Peptide CB ALA N-Ter"
set type @atom:863 charge 0.11 # "B3-Peptide CB GLY N-Ter"
set type @atom:864 charge 0.15 # "B3-Peptide CB PRO N-Ter"
set type @atom:865 charge 0.17 # "B3-Peptide CE PRO N-Ter"
set type @atom:866 charge 1.0 # "Alkyl Silane R4Si"
set type @atom:867 charge 0.85 # "Alkyl Silane R3SiH"
set type @atom:868 charge 0.7 # "Alkyl Silane R2SiH2"
set type @atom:869 charge 0.55 # "Alkyl Silane RSiH3"
set type @atom:870 charge -0.1 # "Alkyl Silane H-C-Si"
set type @atom:871 charge -0.43 # "Methyl Silane CH3-Si"
set type @atom:872 charge -0.37 # "Alkyl Silane RCH2-Si"
set type @atom:873 charge -0.31 # "Alkyl Silane R2CH-Si"
set type @atom:874 charge -0.25 # "Alkyl Silane R3C-Si"
set type @atom:875 charge -1.0 # "Fluoride Ion (GBSA)"
set type @atom:876 charge -1.0 # "Chloride Ion (GBSA)"
set type @atom:877 charge -1.0 # "Bromide Ion (GBSA)"
set type @atom:878 charge -1.0 # "Iodide Ion (GBSA)"
set type @atom:879 charge 1.0 # "Lithium Ion (GBSA)"
set type @atom:880 charge 1.0 # "Sodium Ion (GBSA)"
set type @atom:881 charge 1.0 # "Potassium Ion (GBSA)"
set type @atom:882 charge 1.0 # "Rubidium Ion (GBSA)"
set type @atom:883 charge 1.0 # "Cesium Ion (GBSA)"
set type @atom:884 charge 2.0 # "Magnesium Ion (GBSA)"
set type @atom:885 charge 2.0 # "Calcium Ion (GBSA)"
set type @atom:886 charge 2.0 # "Strontium Ion (GBSA)"
set type @atom:887 charge 2.0 # "Barium Ion (GBSA)"
set type @atom:888 charge -0.05 # "Ammonium CH3-NR3+"
set type @atom:889 charge 0.05 # "Ammonium RCH2-NR3+"
set type @atom:890 charge 0.15 # "Ammonium R2CH-NR3+"
set type @atom:891 charge 0.25 # "Ammonium R3C-NR3+"
set type @atom:892 charge 0.1 # "Ammonium CH3-NR3+"
set type @atom:893 charge 0.115 # "Anilinium Ar-NR3+"
set type @atom:894 charge 0.135 # "Anilinium C-NR3+"
set type @atom:895 charge 0.015 # "Anilinium Ar-NHR2+"
set type @atom:896 charge 0.155 # "Anilinium C-NHR2+"
set type @atom:897 charge 0.0 # "Triene R2-C= (mid C=C)"
set type @atom:898 charge -0.115 # "Triene RH-C= (mid C=C)"
set type @atom:899 charge 0.15 # "Allene/Ketene H-C=C=X"
set type @atom:900 charge -0.25 # "Allene/Ketene H2C=C=X"
set type @atom:901 charge -0.1 # "Allene/Ketene HRC=C=X"
set type @atom:902 charge 0.05 # "Allene/Ketene R2C=C=X"
set type @atom:903 charge -0.1 # "Allene =C="
set type @atom:904 charge 0.2 # "Ketene =C="
set type @atom:905 charge -0.25 # "Ketene C=O"
set type @atom:906 charge 0.088 # "N-Me-HIS CB"
} #(end of atom partial charges)
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@atom:867 28.086
@atom:868 28.086
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@atom:879 6.941
@atom:880 22.99
@atom:881 39.098
@atom:882 85.468
@atom:883 132.905
@atom:884 24.305
@atom:885 40.08
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@atom:889 12.011
@atom:890 12.011
@atom:891 12.011
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} #(end of atom masses)
# ---------- EQUIVALENCE CATEGORIES for bonded interaction lookup ----------
# Each type of atom has a separate ID used for looking up bond parameters
# and a separate ID for looking up 3-body angle interaction parameters
# and a separate ID for looking up 4-body dihedral interaction parameters
# and a separate ID for looking up 4-body improper interaction parameters
# The complete @atom type name includes ALL of these ID numbers. There's
# no need to force the end-user to type the complete name of each atom.
# The "replace" command used below informs moltemplate that the short
# @atom names we have been using abovee are equivalent to the complete
# @atom names used below:
replace{ @atom:1 @atom:1_b1_a1_d1_i1 }
replace{ @atom:2 @atom:2_b2_a2_d2_i2 }
replace{ @atom:3 @atom:3_b3_a3_d3_i3 }
replace{ @atom:4 @atom:4_b4_a4_d4_i4 }
replace{ @atom:5 @atom:5_b5_a5_d5_i5 }
replace{ @atom:6 @atom:6_b6_a6_d6_i6 }
replace{ @atom:7 @atom:7_b7_a7_d7_i7 }
replace{ @atom:8 @atom:8_b8_a8_d8_i8 }
replace{ @atom:9 @atom:9_b6_a6_d6_i6 }
replace{ @atom:10 @atom:10_b6_a6_d6_i6 }
replace{ @atom:11 @atom:11_b6_a6_d6_i6 }
replace{ @atom:12 @atom:12_b6_a6_d6_i6 }
replace{ @atom:13 @atom:13_b2_a2_d2_i2 }
replace{ @atom:14 @atom:14_b9_a9_d9_i9 }
replace{ @atom:15 @atom:15_b10_a10_d10_i10 }
replace{ @atom:16 @atom:16_b11_a11_d11_i11 }
replace{ @atom:17 @atom:17_b12_a12_d12_i12 }
replace{ @atom:18 @atom:18_b13_a13_d13_i13 }
replace{ @atom:19 @atom:19_b14_a14_d14_i14 }
replace{ @atom:20 @atom:20_b5_a5_d5_i5 }
replace{ @atom:21 @atom:21_b7_a7_d7_i7 }
replace{ @atom:22 @atom:22_b6_a6_d6_i6 }
replace{ @atom:23 @atom:23_b2_a2_d2_i2 }
replace{ @atom:24 @atom:24_b15_a15_d15_i15 }
replace{ @atom:25 @atom:25_b15_a15_d15_i15 }
replace{ @atom:26 @atom:26_b16_a16_d16_i16 }
replace{ @atom:27 @atom:27_b16_a16_d16_i16 }
replace{ @atom:28 @atom:28_b17_a17_d17_i17 }
replace{ @atom:29 @atom:29_b17_a17_d17_i17 }
replace{ @atom:30 @atom:30_b6_a6_d6_i6 }
replace{ @atom:31 @atom:31_b2_a2_d2_i2 }
replace{ @atom:32 @atom:32_b6_a6_d6_i6 }
replace{ @atom:33 @atom:33_b2_a2_d2_i2 }
replace{ @atom:34 @atom:34_b6_a6_d6_i6 }
replace{ @atom:35 @atom:35_b2_a2_d2_i2 }
replace{ @atom:36 @atom:36_b18_a18_d18_i18 }
replace{ @atom:37 @atom:37_b19_a19_d19_i19 }
replace{ @atom:38 @atom:38_b6_a6_d6_i6 }
replace{ @atom:39 @atom:39_b10_a10_d10_i10 }
replace{ @atom:40 @atom:40_b13_a13_d13_i13 }
replace{ @atom:41 @atom:41_b20_a20_d20_i20 }
replace{ @atom:42 @atom:42_b6_a6_d6_i6 }
replace{ @atom:43 @atom:43_b2_a2_d2_i2 }
replace{ @atom:44 @atom:44_b2_a2_d2_i2 }
replace{ @atom:45 @atom:45_b21_a21_d21_i21 }
replace{ @atom:46 @atom:46_b10_a10_d10_i10 }
replace{ @atom:47 @atom:47_b21_a21_d21_i21 }
replace{ @atom:48 @atom:48_b13_a13_d13_i13 }
replace{ @atom:49 @atom:49_b21_a21_d21_i21 }
replace{ @atom:50 @atom:50_b22_a22_d22_i22 }
replace{ @atom:51 @atom:51_b23_a23_d23_i23 }
replace{ @atom:52 @atom:52_b6_a6_d6_i6 }
replace{ @atom:53 @atom:53_b4_a4_d4_i4 }
replace{ @atom:54 @atom:54_b24_a24_d24_i24 }
replace{ @atom:55 @atom:55_b3_a3_d3_i3 }
replace{ @atom:56 @atom:56_b6_a6_d6_i6 }
replace{ @atom:57 @atom:57_b25_a25_d25_i25 }
replace{ @atom:58 @atom:58_b26_a26_d26_i26 }
replace{ @atom:59 @atom:59_b27_a27_d27_i27 }
replace{ @atom:60 @atom:60_b28_a28_d28_i28 }
replace{ @atom:61 @atom:61_b29_a29_d29_i29 }
replace{ @atom:62 @atom:62_b30_a30_d30_i30 }
replace{ @atom:63 @atom:63_b31_a31_d31_i31 }
replace{ @atom:64 @atom:64_b32_a32_d32_i32 }
replace{ @atom:65 @atom:65_b31_a31_d31_i31 }
replace{ @atom:66 @atom:66_b32_a32_d32_i32 }
replace{ @atom:67 @atom:67_b33_a33_d33_i33 }
replace{ @atom:68 @atom:68_b34_a34_d34_i34 }
replace{ @atom:69 @atom:69_b35_a35_d35_i35 }
replace{ @atom:70 @atom:70_b36_a36_d36_i36 }
replace{ @atom:71 @atom:71_b37_a37_d37_i37 }
replace{ @atom:72 @atom:72_b38_a38_d38_i38 }
replace{ @atom:73 @atom:73_b39_a39_d39_i39 }
replace{ @atom:74 @atom:74_b40_a40_d40_i40 }
replace{ @atom:75 @atom:75_b41_a41_d41_i41 }
replace{ @atom:76 @atom:76_b42_a42_d42_i42 }
replace{ @atom:77 @atom:77_b43_a43_d43_i43 }
replace{ @atom:78 @atom:78_b44_a44_d44_i44 }
replace{ @atom:79 @atom:79_b45_a45_d45_i45 }
replace{ @atom:80 @atom:80_b13_a13_d13_i13 }
replace{ @atom:81 @atom:81_b13_a13_d13_i13 }
replace{ @atom:82 @atom:82_b13_a13_d13_i13 }
replace{ @atom:83 @atom:83_b13_a13_d13_i13 }
replace{ @atom:84 @atom:84_b13_a13_d13_i13 }
replace{ @atom:85 @atom:85_b46_a46_d46_i46 }
replace{ @atom:86 @atom:86_b47_a47_d47_i47 }
replace{ @atom:87 @atom:87_b47_a47_d47_i47 }
replace{ @atom:88 @atom:88_b47_a47_d47_i47 }
replace{ @atom:89 @atom:89_b46_a46_d46_i46 }
replace{ @atom:90 @atom:90_b48_a48_d48_i48 }
replace{ @atom:91 @atom:91_b49_a49_d49_i49 }
replace{ @atom:92 @atom:92_b48_a48_d48_i48 }
replace{ @atom:93 @atom:93_b13_a13_d13_i13 }
replace{ @atom:94 @atom:94_b13_a13_d13_i13 }
replace{ @atom:95 @atom:95_b50_a50_d50_i50 }
replace{ @atom:96 @atom:96_b5_a5_d5_i5 }
replace{ @atom:97 @atom:97_b7_a7_d7_i7 }
replace{ @atom:98 @atom:98_b46_a46_d46_i46 }
replace{ @atom:99 @atom:99_b13_a13_d13_i13 }
replace{ @atom:100 @atom:100_b13_a13_d13_i13 }
replace{ @atom:101 @atom:101_b13_a13_d13_i13 }
replace{ @atom:102 @atom:102_b13_a13_d13_i13 }
replace{ @atom:103 @atom:103_b13_a13_d13_i13 }
replace{ @atom:104 @atom:104_b5_a5_d5_i5 }
replace{ @atom:105 @atom:105_b7_a7_d7_i7 }
replace{ @atom:106 @atom:106_b1_a1_d1_i1 }
replace{ @atom:107 @atom:107_b46_a46_d46_i46 }
replace{ @atom:108 @atom:108_b48_a48_d48_i48 }
replace{ @atom:109 @atom:109_b5_a5_d5_i5 }
replace{ @atom:110 @atom:110_b7_a7_d7_i7 }
replace{ @atom:111 @atom:111_b5_a5_d5_i5 }
replace{ @atom:112 @atom:112_b7_a7_d7_i7 }
replace{ @atom:113 @atom:113_b5_a5_d5_i5 }
replace{ @atom:114 @atom:114_b7_a7_d7_i7 }
replace{ @atom:115 @atom:115_b13_a13_d13_i13 }
replace{ @atom:116 @atom:116_b13_a13_d13_i13 }
replace{ @atom:117 @atom:117_b13_a13_d13_i13 }
replace{ @atom:118 @atom:118_b46_a46_d46_i46 }
replace{ @atom:119 @atom:119_b20_a20_d20_i20 }
replace{ @atom:120 @atom:120_b50_a50_d50_i50 }
replace{ @atom:121 @atom:121_b20_a20_d20_i20 }
replace{ @atom:122 @atom:122_b20_a20_d20_i20 }
replace{ @atom:123 @atom:123_b13_a13_d13_i13 }
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replace{ @atom:773 @atom:773_b13_a13_d13_i13 }
replace{ @atom:774 @atom:774_b13_a13_d13_i13 }
replace{ @atom:775 @atom:775_b13_a13_d13_i13 }
replace{ @atom:776 @atom:776_b84_a84_d84_i84 }
replace{ @atom:777 @atom:777_b87_a87_d87_i87 }
replace{ @atom:778 @atom:778_b86_a86_d86_i86 }
replace{ @atom:779 @atom:779_b86_a86_d86_i86 }
replace{ @atom:780 @atom:780_b46_a46_d46_i46 }
replace{ @atom:781 @atom:781_b13_a13_d13_i13 }
replace{ @atom:782 @atom:782_b3_a3_d3_i3 }
replace{ @atom:783 @atom:783_b53_a53_d53_i53 }
replace{ @atom:784 @atom:784_b52_a52_d52_i52 }
replace{ @atom:785 @atom:785_b54_a54_d54_i54 }
replace{ @atom:786 @atom:786_b1_a1_d1_i1 }
replace{ @atom:787 @atom:787_b13_a13_d13_i13 }
replace{ @atom:788 @atom:788_b46_a46_d46_i46 }
replace{ @atom:789 @atom:789_b13_a13_d13_i13 }
replace{ @atom:790 @atom:790_b13_a13_d13_i13 }
replace{ @atom:791 @atom:791_b13_a13_d13_i13 }
replace{ @atom:792 @atom:792_b13_a13_d13_i13 }
replace{ @atom:793 @atom:793_b13_a13_d13_i13 }
replace{ @atom:794 @atom:794_b13_a13_d13_i13 }
replace{ @atom:795 @atom:795_b1_a1_d1_i1 }
replace{ @atom:796 @atom:796_b13_a13_d13_i13 }
replace{ @atom:797 @atom:797_b46_a46_d46_i46 }
replace{ @atom:798 @atom:798_b13_a13_d13_i13 }
replace{ @atom:799 @atom:799_b13_a13_d13_i13 }
replace{ @atom:800 @atom:800_b21_a21_d21_i21 }
replace{ @atom:801 @atom:801_b13_a13_d13_i13 }
replace{ @atom:802 @atom:802_b46_a46_d46_i46 }
replace{ @atom:803 @atom:803_b13_a13_d13_i13 }
replace{ @atom:804 @atom:804_b13_a13_d13_i13 }
replace{ @atom:805 @atom:805_b65_a65_d65_i65 }
replace{ @atom:806 @atom:806_b13_a13_d13_i13 }
replace{ @atom:807 @atom:807_b46_a46_d46_i46 }
replace{ @atom:808 @atom:808_b13_a13_d13_i13 }
replace{ @atom:809 @atom:809_b13_a13_d13_i13 }
replace{ @atom:810 @atom:810_b1_a1_d1_i1 }
replace{ @atom:811 @atom:811_b21_a21_d21_i21 }
replace{ @atom:812 @atom:812_b65_a65_d65_i65 }
replace{ @atom:813 @atom:813_b48_a48_d48_i48 }
replace{ @atom:814 @atom:814_b20_a20_d20_i20 }
replace{ @atom:815 @atom:815_b13_a13_d13_i13 }
replace{ @atom:816 @atom:816_b1_a1_d1_i1 }
replace{ @atom:817 @atom:817_b24_a24_d24_i24 }
replace{ @atom:818 @atom:818_b48_a48_d48_i48 }
replace{ @atom:819 @atom:819_b13_a13_d13_i13 }
replace{ @atom:820 @atom:820_b3_a3_d3_i3 }
replace{ @atom:821 @atom:821_b3_a3_d3_i3 }
replace{ @atom:822 @atom:822_b4_a4_d4_i4 }
replace{ @atom:823 @atom:823_b24_a24_d24_i24 }
replace{ @atom:824 @atom:824_b45_a45_d45_i45 }
replace{ @atom:825 @atom:825_b5_a5_d5_i5 }
replace{ @atom:826 @atom:826_b7_a7_d7_i7 }
replace{ @atom:827 @atom:827_b13_a13_d13_i13 }
replace{ @atom:828 @atom:828_b13_a13_d13_i13 }
replace{ @atom:829 @atom:829_b86_a86_d86_i86 }
replace{ @atom:830 @atom:830_b86_a86_d86_i86 }
replace{ @atom:831 @atom:831_b86_a86_d86_i86 }
replace{ @atom:832 @atom:832_b86_a86_d86_i86 }
replace{ @atom:833 @atom:833_b48_a48_d48_i48 }
replace{ @atom:834 @atom:834_b106_a106_d106_i106 }
replace{ @atom:835 @atom:835_b13_a13_d13_i13 }
replace{ @atom:836 @atom:836_b13_a13_d13_i13 }
replace{ @atom:837 @atom:837_b13_a13_d13_i13 }
replace{ @atom:838 @atom:838_b66_a66_d66_i66 }
replace{ @atom:839 @atom:839_b46_a46_d46_i46 }
replace{ @atom:840 @atom:840_b24_a24_d24_i24 }
replace{ @atom:841 @atom:841_b48_a48_d48_i48 }
replace{ @atom:842 @atom:842_b48_a48_d48_i48 }
replace{ @atom:843 @atom:843_b24_a24_d24_i24 }
replace{ @atom:844 @atom:844_b48_a48_d48_i48 }
replace{ @atom:845 @atom:845_b3_a3_d3_i3 }
replace{ @atom:846 @atom:846_b4_a4_d4_i4 }
replace{ @atom:847 @atom:847_b107_a107_d107_i107 }
replace{ @atom:848 @atom:848_b13_a13_d13_i13 }
replace{ @atom:849 @atom:849_b13_a13_d13_i13 }
replace{ @atom:850 @atom:850_b13_a13_d13_i13 }
replace{ @atom:851 @atom:851_b13_a13_d13_i13 }
replace{ @atom:852 @atom:852_b46_a46_d46_i46 }
replace{ @atom:853 @atom:853_b3_a3_d3_i3 }
replace{ @atom:854 @atom:854_b4_a4_d4_i4 }
replace{ @atom:855 @atom:855_b46_a46_d46_i46 }
replace{ @atom:856 @atom:856_b13_a13_d13_i13 }
replace{ @atom:857 @atom:857_b13_a13_d13_i13 }
replace{ @atom:858 @atom:858_b13_a13_d13_i13 }
replace{ @atom:859 @atom:859_b13_a13_d13_i13 }
replace{ @atom:860 @atom:860_b13_a13_d13_i13 }
replace{ @atom:861 @atom:861_b13_a13_d13_i13 }
replace{ @atom:862 @atom:862_b13_a13_d13_i13 }
replace{ @atom:863 @atom:863_b13_a13_d13_i13 }
replace{ @atom:864 @atom:864_b13_a13_d13_i13 }
replace{ @atom:865 @atom:865_b13_a13_d13_i13 }
replace{ @atom:866 @atom:866_b108_a108_d108_i108 }
replace{ @atom:867 @atom:867_b108_a108_d108_i108 }
replace{ @atom:868 @atom:868_b108_a108_d108_i108 }
replace{ @atom:869 @atom:869_b108_a108_d108_i108 }
replace{ @atom:870 @atom:870_b45_a45_d45_i45 }
replace{ @atom:871 @atom:871_b13_a13_d13_i13 }
replace{ @atom:872 @atom:872_b13_a13_d13_i13 }
replace{ @atom:873 @atom:873_b13_a13_d13_i13 }
replace{ @atom:874 @atom:874_b13_a13_d13_i13 }
replace{ @atom:875 @atom:875_b1_a1_d1_i1 }
replace{ @atom:876 @atom:876_b21_a21_d21_i21 }
replace{ @atom:877 @atom:877_b65_a65_d65_i65 }
replace{ @atom:878 @atom:878_b66_a66_d66_i66 }
replace{ @atom:879 @atom:879_b68_a68_d68_i68 }
replace{ @atom:880 @atom:880_b69_a69_d69_i69 }
replace{ @atom:881 @atom:881_b70_a70_d70_i70 }
replace{ @atom:882 @atom:882_b71_a71_d71_i71 }
replace{ @atom:883 @atom:883_b72_a72_d72_i72 }
replace{ @atom:884 @atom:884_b73_a73_d73_i73 }
replace{ @atom:885 @atom:885_b74_a74_d74_i74 }
replace{ @atom:886 @atom:886_b75_a75_d75_i75 }
replace{ @atom:887 @atom:887_b76_a76_d76_i76 }
replace{ @atom:888 @atom:888_b13_a13_d13_i13 }
replace{ @atom:889 @atom:889_b13_a13_d13_i13 }
replace{ @atom:890 @atom:890_b13_a13_d13_i13 }
replace{ @atom:891 @atom:891_b13_a13_d13_i13 }
replace{ @atom:892 @atom:892_b46_a46_d46_i46 }
replace{ @atom:893 @atom:893_b53_a53_d53_i53 }
replace{ @atom:894 @atom:894_b48_a48_d48_i48 }
replace{ @atom:895 @atom:895_b53_a53_d53_i53 }
replace{ @atom:896 @atom:896_b48_a48_d48_i48 }
replace{ @atom:897 @atom:897_b109_a109_d109_i109 }
replace{ @atom:898 @atom:898_b109_a109_d109_i109 }
replace{ @atom:899 @atom:899_b46_a46_d46_i46 }
replace{ @atom:900 @atom:900_b47_a47_d47_i47 }
replace{ @atom:901 @atom:901_b47_a47_d47_i47 }
replace{ @atom:902 @atom:902_b47_a47_d47_i47 }
replace{ @atom:903 @atom:903_b110_a110_d110_i110 }
replace{ @atom:904 @atom:904_b110_a110_d110_i110 }
replace{ @atom:905 @atom:905_b4_a4_d4_i4 }
replace{ @atom:906 @atom:906_b13_a13_d13_i13 }
# --------------- Non-Bonded interactions: ---------------------
# http://lammps.sandia.gov/doc/pair_lj.html
# Syntax:
# pair_coeff AtomType1 AtomType2 pair_style_name parameters...
write_once("In Settings") {
pair_coeff @atom:1_b1_a1_d1_i1 @atom:1_b1_a1_d1_i1 lj/cut/coul/long 0.061 2.94
pair_coeff @atom:2_b2_a2_d2_i2 @atom:2_b2_a2_d2_i2 lj/cut/coul/long 0.118 3.905
pair_coeff @atom:3_b3_a3_d3_i3 @atom:3_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:4_b4_a4_d4_i4 @atom:4_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:5_b5_a5_d5_i5 @atom:5_b5_a5_d5_i5 lj/cut/coul/long 0.17 3.0
pair_coeff @atom:6_b6_a6_d6_i6 @atom:6_b6_a6_d6_i6 lj/cut/coul/long 0.16 3.91
pair_coeff @atom:7_b7_a7_d7_i7 @atom:7_b7_a7_d7_i7 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:8_b8_a8_d8_i8 @atom:8_b8_a8_d8_i8 lj/cut/coul/long 0.294 3.73
pair_coeff @atom:9_b6_a6_d6_i6 @atom:9_b6_a6_d6_i6 lj/cut/coul/long 0.207 3.775
pair_coeff @atom:10_b6_a6_d6_i6 @atom:10_b6_a6_d6_i6 lj/cut/coul/long 0.175 3.905
pair_coeff @atom:11_b6_a6_d6_i6 @atom:11_b6_a6_d6_i6 lj/cut/coul/long 0.16 3.91
pair_coeff @atom:12_b6_a6_d6_i6 @atom:12_b6_a6_d6_i6 lj/cut/coul/long 0.145 3.96
pair_coeff @atom:13_b2_a2_d2_i2 @atom:13_b2_a2_d2_i2 lj/cut/coul/long 0.118 3.905
pair_coeff @atom:14_b9_a9_d9_i9 @atom:14_b9_a9_d9_i9 lj/cut/coul/long 0.14 3.85
pair_coeff @atom:15_b10_a10_d10_i10 @atom:15_b10_a10_d10_i10 lj/cut/coul/long 0.08 3.85
pair_coeff @atom:16_b11_a11_d11_i11 @atom:16_b11_a11_d11_i11 lj/cut/coul/long 0.115 3.8
pair_coeff @atom:17_b12_a12_d12_i12 @atom:17_b12_a12_d12_i12 lj/cut/coul/long 0.11 3.75
pair_coeff @atom:18_b13_a13_d13_i13 @atom:18_b13_a13_d13_i13 lj/cut/coul/long 0.05 3.8
pair_coeff @atom:19_b14_a14_d14_i14 @atom:19_b14_a14_d14_i14 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:20_b5_a5_d5_i5 @atom:20_b5_a5_d5_i5 lj/cut/coul/long 0.17 3.07
pair_coeff @atom:21_b7_a7_d7_i7 @atom:21_b7_a7_d7_i7 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:22_b6_a6_d6_i6 @atom:22_b6_a6_d6_i6 lj/cut/coul/long 0.207 3.775
pair_coeff @atom:23_b2_a2_d2_i2 @atom:23_b2_a2_d2_i2 lj/cut/coul/long 0.118 3.905
pair_coeff @atom:24_b15_a15_d15_i15 @atom:24_b15_a15_d15_i15 lj/cut/coul/long 0.25 3.7
pair_coeff @atom:25_b15_a15_d15_i15 @atom:25_b15_a15_d15_i15 lj/cut/coul/long 0.25 3.55
pair_coeff @atom:26_b16_a16_d16_i16 @atom:26_b16_a16_d16_i16 lj/cut/coul/long 0.25 3.55
pair_coeff @atom:27_b16_a16_d16_i16 @atom:27_b16_a16_d16_i16 lj/cut/coul/long 0.25 3.55
pair_coeff @atom:28_b17_a17_d17_i17 @atom:28_b17_a17_d17_i17 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:29_b17_a17_d17_i17 @atom:29_b17_a17_d17_i17 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:30_b6_a6_d6_i6 @atom:30_b6_a6_d6_i6 lj/cut/coul/long 0.207 3.775
pair_coeff @atom:31_b2_a2_d2_i2 @atom:31_b2_a2_d2_i2 lj/cut/coul/long 0.118 3.905
pair_coeff @atom:32_b6_a6_d6_i6 @atom:32_b6_a6_d6_i6 lj/cut/coul/long 0.17 3.8
pair_coeff @atom:33_b2_a2_d2_i2 @atom:33_b2_a2_d2_i2 lj/cut/coul/long 0.118 3.8
pair_coeff @atom:34_b6_a6_d6_i6 @atom:34_b6_a6_d6_i6 lj/cut/coul/long 0.17 3.8
pair_coeff @atom:35_b2_a2_d2_i2 @atom:35_b2_a2_d2_i2 lj/cut/coul/long 0.118 3.8
pair_coeff @atom:36_b18_a18_d18_i18 @atom:36_b18_a18_d18_i18 lj/cut/coul/long 0.17 3.2
pair_coeff @atom:37_b19_a19_d19_i19 @atom:37_b19_a19_d19_i19 lj/cut/coul/long 0.15 3.65
pair_coeff @atom:38_b6_a6_d6_i6 @atom:38_b6_a6_d6_i6 lj/cut/coul/long 0.207 3.775
pair_coeff @atom:39_b10_a10_d10_i10 @atom:39_b10_a10_d10_i10 lj/cut/coul/long 0.08 3.85
pair_coeff @atom:40_b13_a13_d13_i13 @atom:40_b13_a13_d13_i13 lj/cut/coul/long 0.05 3.8
pair_coeff @atom:41_b20_a20_d20_i20 @atom:41_b20_a20_d20_i20 lj/cut/coul/long 0.17 3.0
pair_coeff @atom:42_b6_a6_d6_i6 @atom:42_b6_a6_d6_i6 lj/cut/coul/long 0.17 3.8
pair_coeff @atom:43_b2_a2_d2_i2 @atom:43_b2_a2_d2_i2 lj/cut/coul/long 0.118 3.8
pair_coeff @atom:44_b2_a2_d2_i2 @atom:44_b2_a2_d2_i2 lj/cut/coul/long 0.118 3.8
pair_coeff @atom:45_b21_a21_d21_i21 @atom:45_b21_a21_d21_i21 lj/cut/coul/long 0.3 3.4
pair_coeff @atom:46_b10_a10_d10_i10 @atom:46_b10_a10_d10_i10 lj/cut/coul/long 0.08 3.8
pair_coeff @atom:47_b21_a21_d21_i21 @atom:47_b21_a21_d21_i21 lj/cut/coul/long 0.3 3.47
pair_coeff @atom:48_b13_a13_d13_i13 @atom:48_b13_a13_d13_i13 lj/cut/coul/long 0.05 3.8
pair_coeff @atom:49_b21_a21_d21_i21 @atom:49_b21_a21_d21_i21 lj/cut/coul/long 0.266 3.47
pair_coeff @atom:50_b22_a22_d22_i22 @atom:50_b22_a22_d22_i22 lj/cut/coul/long 0.395 3.56
pair_coeff @atom:51_b23_a23_d23_i23 @atom:51_b23_a23_d23_i23 lj/cut/coul/long 0.28 2.93
pair_coeff @atom:52_b6_a6_d6_i6 @atom:52_b6_a6_d6_i6 lj/cut/coul/long 0.16 3.81
pair_coeff @atom:53_b4_a4_d4_i4 @atom:53_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:54_b24_a24_d24_i24 @atom:54_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:55_b3_a3_d3_i3 @atom:55_b3_a3_d3_i3 lj/cut/coul/long 0.115 3.8
pair_coeff @atom:56_b6_a6_d6_i6 @atom:56_b6_a6_d6_i6 lj/cut/coul/long 0.17 3.8
pair_coeff @atom:57_b25_a25_d25_i25 @atom:57_b25_a25_d25_i25 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:58_b26_a26_d26_i26 @atom:58_b26_a26_d26_i26 lj/cut/coul/long 0.02 2.556
pair_coeff @atom:59_b27_a27_d27_i27 @atom:59_b27_a27_d27_i27 lj/cut/coul/long 0.069 2.78
pair_coeff @atom:60_b28_a28_d28_i28 @atom:60_b28_a28_d28_i28 lj/cut/coul/long 0.2339 3.401
pair_coeff @atom:61_b29_a29_d29_i29 @atom:61_b29_a29_d29_i29 lj/cut/coul/long 0.317 3.624
pair_coeff @atom:62_b30_a30_d30_i30 @atom:62_b30_a30_d30_i30 lj/cut/coul/long 0.433 3.935
pair_coeff @atom:63_b31_a31_d31_i31 @atom:63_b31_a31_d31_i31 lj/cut/coul/long 0.1521 3.15061
pair_coeff @atom:64_b32_a32_d32_i32 @atom:64_b32_a32_d32_i32 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:65_b31_a31_d31_i31 @atom:65_b31_a31_d31_i31 lj/cut/coul/long 0.155 3.15365
pair_coeff @atom:66_b32_a32_d32_i32 @atom:66_b32_a32_d32_i32 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:67_b33_a33_d33_i33 @atom:67_b33_a33_d33_i33 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:68_b34_a34_d34_i34 @atom:68_b34_a34_d34_i34 lj/cut/coul/long 0.15 3.176
pair_coeff @atom:69_b35_a35_d35_i35 @atom:69_b35_a35_d35_i35 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:70_b36_a36_d36_i36 @atom:70_b36_a36_d36_i36 lj/cut/coul/long 0.1 3.27
pair_coeff @atom:71_b37_a37_d37_i37 @atom:71_b37_a37_d37_i37 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:72_b38_a38_d38_i38 @atom:72_b38_a38_d38_i38 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:73_b39_a39_d39_i39 @atom:73_b39_a39_d39_i39 lj/cut/coul/long 0.16 3.12
pair_coeff @atom:74_b40_a40_d40_i40 @atom:74_b40_a40_d40_i40 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:75_b41_a41_d41_i41 @atom:75_b41_a41_d41_i41 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:76_b42_a42_d42_i42 @atom:76_b42_a42_d42_i42 lj/cut/coul/long 0.1554 3.16557
pair_coeff @atom:77_b43_a43_d43_i43 @atom:77_b43_a43_d43_i43 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:78_b44_a44_d44_i44 @atom:78_b44_a44_d44_i44 lj/cut/coul/long 0.17 3.42
pair_coeff @atom:79_b45_a45_d45_i45 @atom:79_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:80_b13_a13_d13_i13 @atom:80_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:81_b13_a13_d13_i13 @atom:81_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:82_b13_a13_d13_i13 @atom:82_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:83_b13_a13_d13_i13 @atom:83_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:84_b13_a13_d13_i13 @atom:84_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:85_b46_a46_d46_i46 @atom:85_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:86_b47_a47_d47_i47 @atom:86_b47_a47_d47_i47 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:87_b47_a47_d47_i47 @atom:87_b47_a47_d47_i47 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:88_b47_a47_d47_i47 @atom:88_b47_a47_d47_i47 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:89_b46_a46_d46_i46 @atom:89_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:90_b48_a48_d48_i48 @atom:90_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:91_b49_a49_d49_i49 @atom:91_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:92_b48_a48_d48_i48 @atom:92_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:93_b13_a13_d13_i13 @atom:93_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:94_b13_a13_d13_i13 @atom:94_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:95_b50_a50_d50_i50 @atom:95_b50_a50_d50_i50 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:96_b5_a5_d5_i5 @atom:96_b5_a5_d5_i5 lj/cut/coul/long 0.17 3.12
pair_coeff @atom:97_b7_a7_d7_i7 @atom:97_b7_a7_d7_i7 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:98_b46_a46_d46_i46 @atom:98_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:99_b13_a13_d13_i13 @atom:99_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:100_b13_a13_d13_i13 @atom:100_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:101_b13_a13_d13_i13 @atom:101_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:102_b13_a13_d13_i13 @atom:102_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:103_b13_a13_d13_i13 @atom:103_b13_a13_d13_i13 lj/cut/coul/long 0.062 3.25
pair_coeff @atom:104_b5_a5_d5_i5 @atom:104_b5_a5_d5_i5 lj/cut/coul/long 0.17 3.07
pair_coeff @atom:105_b7_a7_d7_i7 @atom:105_b7_a7_d7_i7 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:106_b1_a1_d1_i1 @atom:106_b1_a1_d1_i1 lj/cut/coul/long 0.061 2.94
pair_coeff @atom:107_b46_a46_d46_i46 @atom:107_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:108_b48_a48_d48_i48 @atom:108_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:109_b5_a5_d5_i5 @atom:109_b5_a5_d5_i5 lj/cut/coul/long 0.17 3.07
pair_coeff @atom:110_b7_a7_d7_i7 @atom:110_b7_a7_d7_i7 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:111_b5_a5_d5_i5 @atom:111_b5_a5_d5_i5 lj/cut/coul/long 0.17 3.07
pair_coeff @atom:112_b7_a7_d7_i7 @atom:112_b7_a7_d7_i7 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:113_b5_a5_d5_i5 @atom:113_b5_a5_d5_i5 lj/cut/coul/long 0.17 3.07
pair_coeff @atom:114_b7_a7_d7_i7 @atom:114_b7_a7_d7_i7 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:115_b13_a13_d13_i13 @atom:115_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:116_b13_a13_d13_i13 @atom:116_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:117_b13_a13_d13_i13 @atom:117_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:118_b46_a46_d46_i46 @atom:118_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:119_b20_a20_d20_i20 @atom:119_b20_a20_d20_i20 lj/cut/coul/long 0.14 2.9
pair_coeff @atom:120_b50_a50_d50_i50 @atom:120_b50_a50_d50_i50 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:121_b20_a20_d20_i20 @atom:121_b20_a20_d20_i20 lj/cut/coul/long 0.14 2.9
pair_coeff @atom:122_b20_a20_d20_i20 @atom:122_b20_a20_d20_i20 lj/cut/coul/long 0.14 2.9
pair_coeff @atom:123_b13_a13_d13_i13 @atom:123_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:124_b13_a13_d13_i13 @atom:124_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:125_b13_a13_d13_i13 @atom:125_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:126_b13_a13_d13_i13 @atom:126_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:127_b46_a46_d46_i46 @atom:127_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:128_b20_a20_d20_i20 @atom:128_b20_a20_d20_i20 lj/cut/coul/long 0.14 2.9
pair_coeff @atom:129_b5_a5_d5_i5 @atom:129_b5_a5_d5_i5 lj/cut/coul/long 0.17 3.07
pair_coeff @atom:130_b7_a7_d7_i7 @atom:130_b7_a7_d7_i7 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:131_b51_a51_d51_i51 @atom:131_b51_a51_d51_i51 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:132_b46_a46_d46_i46 @atom:132_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:133_b51_a51_d51_i51 @atom:133_b51_a51_d51_i51 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:134_b46_a46_d46_i46 @atom:134_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:135_b51_a51_d51_i51 @atom:135_b51_a51_d51_i51 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:136_b46_a46_d46_i46 @atom:136_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:137_b51_a51_d51_i51 @atom:137_b51_a51_d51_i51 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:138_b46_a46_d46_i46 @atom:138_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:139_b51_a51_d51_i51 @atom:139_b51_a51_d51_i51 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:140_b51_a51_d51_i51 @atom:140_b51_a51_d51_i51 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:141_b48_a48_d48_i48 @atom:141_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:142_b15_a15_d15_i15 @atom:142_b15_a15_d15_i15 lj/cut/coul/long 0.25 3.55
pair_coeff @atom:143_b15_a15_d15_i15 @atom:143_b15_a15_d15_i15 lj/cut/coul/long 0.25 3.7
pair_coeff @atom:144_b16_a16_d16_i16 @atom:144_b16_a16_d16_i16 lj/cut/coul/long 0.25 3.55
pair_coeff @atom:145_b16_a16_d16_i16 @atom:145_b16_a16_d16_i16 lj/cut/coul/long 0.25 3.55
pair_coeff @atom:146_b17_a17_d17_i17 @atom:146_b17_a17_d17_i17 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:147_b17_a17_d17_i17 @atom:147_b17_a17_d17_i17 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:148_b13_a13_d13_i13 @atom:148_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:149_b13_a13_d13_i13 @atom:149_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:150_b13_a13_d13_i13 @atom:150_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:151_b13_a13_d13_i13 @atom:151_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:152_b13_a13_d13_i13 @atom:152_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:153_b13_a13_d13_i13 @atom:153_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:154_b13_a13_d13_i13 @atom:154_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:155_b13_a13_d13_i13 @atom:155_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:156_b13_a13_d13_i13 @atom:156_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:157_b13_a13_d13_i13 @atom:157_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:158_b13_a13_d13_i13 @atom:158_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:159_b13_a13_d13_i13 @atom:159_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:160_b13_a13_d13_i13 @atom:160_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:161_b13_a13_d13_i13 @atom:161_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:162_b13_a13_d13_i13 @atom:162_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:163_b48_a48_d48_i48 @atom:163_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:164_b16_a16_d16_i16 @atom:164_b16_a16_d16_i16 lj/cut/coul/long 0.25 3.55
pair_coeff @atom:165_b13_a13_d13_i13 @atom:165_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:166_b13_a13_d13_i13 @atom:166_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:167_b13_a13_d13_i13 @atom:167_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:168_b21_a21_d21_i21 @atom:168_b21_a21_d21_i21 lj/cut/coul/long 0.3 3.4
pair_coeff @atom:169_b47_a47_d47_i47 @atom:169_b47_a47_d47_i47 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:170_b48_a48_d48_i48 @atom:170_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:171_b13_a13_d13_i13 @atom:171_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:172_b13_a13_d13_i13 @atom:172_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:173_b3_a3_d3_i3 @atom:173_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:174_b3_a3_d3_i3 @atom:174_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:175_b3_a3_d3_i3 @atom:175_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:176_b3_a3_d3_i3 @atom:176_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:177_b3_a3_d3_i3 @atom:177_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:178_b4_a4_d4_i4 @atom:178_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:179_b24_a24_d24_i24 @atom:179_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:180_b24_a24_d24_i24 @atom:180_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:181_b24_a24_d24_i24 @atom:181_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:182_b45_a45_d45_i45 @atom:182_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:183_b45_a45_d45_i45 @atom:183_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:184_b13_a13_d13_i13 @atom:184_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:185_b13_a13_d13_i13 @atom:185_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:186_b13_a13_d13_i13 @atom:186_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:187_b13_a13_d13_i13 @atom:187_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:188_b13_a13_d13_i13 @atom:188_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:189_b3_a3_d3_i3 @atom:189_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:190_b4_a4_d4_i4 @atom:190_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:191_b24_a24_d24_i24 @atom:191_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:192_b45_a45_d45_i45 @atom:192_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:193_b24_a24_d24_i24 @atom:193_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:194_b3_a3_d3_i3 @atom:194_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:195_b4_a4_d4_i4 @atom:195_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:196_b45_a45_d45_i45 @atom:196_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:197_b46_a46_d46_i46 @atom:197_b46_a46_d46_i46 lj/cut/coul/long 0.02 2.5
pair_coeff @atom:198_b13_a13_d13_i13 @atom:198_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:199_b13_a13_d13_i13 @atom:199_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:200_b13_a13_d13_i13 @atom:200_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:201_b13_a13_d13_i13 @atom:201_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:202_b48_a48_d48_i48 @atom:202_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:203_b19_a19_d19_i19 @atom:203_b19_a19_d19_i19 lj/cut/coul/long 0.15 3.65
pair_coeff @atom:204_b18_a18_d18_i18 @atom:204_b18_a18_d18_i18 lj/cut/coul/long 0.17 3.2
pair_coeff @atom:205_b48_a48_d48_i48 @atom:205_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:206_b21_a21_d21_i21 @atom:206_b21_a21_d21_i21 lj/cut/coul/long 0.3 3.4
pair_coeff @atom:207_b24_a24_d24_i24 @atom:207_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:208_b48_a48_d48_i48 @atom:208_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:209_b3_a3_d3_i3 @atom:209_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:210_b4_a4_d4_i4 @atom:210_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:211_b5_a5_d5_i5 @atom:211_b5_a5_d5_i5 lj/cut/coul/long 0.17 3.0
pair_coeff @atom:212_b7_a7_d7_i7 @atom:212_b7_a7_d7_i7 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:213_b3_a3_d3_i3 @atom:213_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:214_b52_a52_d52_i52 @atom:214_b52_a52_d52_i52 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:215_b13_a13_d13_i13 @atom:215_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:216_b13_a13_d13_i13 @atom:216_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:217_b13_a13_d13_i13 @atom:217_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:218_b13_a13_d13_i13 @atom:218_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:219_b3_a3_d3_i3 @atom:219_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:220_b4_a4_d4_i4 @atom:220_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:221_b46_a46_d46_i46 @atom:221_b46_a46_d46_i46 lj/cut/coul/long 0.015 2.42
pair_coeff @atom:222_b3_a3_d3_i3 @atom:222_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:223_b4_a4_d4_i4 @atom:223_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:224_b46_a46_d46_i46 @atom:224_b46_a46_d46_i46 lj/cut/coul/long 0.015 2.42
pair_coeff @atom:225_b13_a13_d13_i13 @atom:225_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:226_b13_a13_d13_i13 @atom:226_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:227_b13_a13_d13_i13 @atom:227_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:228_b13_a13_d13_i13 @atom:228_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:229_b53_a53_d53_i53 @atom:229_b53_a53_d53_i53 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:230_b53_a53_d53_i53 @atom:230_b53_a53_d53_i53 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:231_b53_a53_d53_i53 @atom:231_b53_a53_d53_i53 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:232_b54_a54_d54_i54 @atom:232_b54_a54_d54_i54 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:233_b54_a54_d54_i54 @atom:233_b54_a54_d54_i54 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:234_b13_a13_d13_i13 @atom:234_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:235_b13_a13_d13_i13 @atom:235_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:236_b13_a13_d13_i13 @atom:236_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:237_b13_a13_d13_i13 @atom:237_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:238_b13_a13_d13_i13 @atom:238_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:239_b13_a13_d13_i13 @atom:239_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:240_b13_a13_d13_i13 @atom:240_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:241_b13_a13_d13_i13 @atom:241_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:242_b13_a13_d13_i13 @atom:242_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:243_b55_a55_d55_i55 @atom:243_b55_a55_d55_i55 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:244_b54_a54_d54_i54 @atom:244_b54_a54_d54_i54 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:245_b48_a48_d48_i48 @atom:245_b48_a48_d48_i48 lj/cut/coul/long 0.05 3.55
pair_coeff @atom:246_b55_a55_d55_i55 @atom:246_b55_a55_d55_i55 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:247_b54_a54_d54_i54 @atom:247_b54_a54_d54_i54 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:248_b13_a13_d13_i13 @atom:248_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:249_b13_a13_d13_i13 @atom:249_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:250_b13_a13_d13_i13 @atom:250_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:251_b13_a13_d13_i13 @atom:251_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:252_b53_a53_d53_i53 @atom:252_b53_a53_d53_i53 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:253_b54_a54_d54_i54 @atom:253_b54_a54_d54_i54 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:254_b56_a56_d56_i56 @atom:254_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:255_b48_a48_d48_i48 @atom:255_b48_a48_d48_i48 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:256_b55_a55_d55_i55 @atom:256_b55_a55_d55_i55 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:257_b45_a45_d45_i45 @atom:257_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:258_b48_a48_d48_i48 @atom:258_b48_a48_d48_i48 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:259_b49_a49_d49_i49 @atom:259_b49_a49_d49_i49 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:260_b48_a48_d48_i48 @atom:260_b48_a48_d48_i48 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:261_b49_a49_d49_i49 @atom:261_b49_a49_d49_i49 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:262_b57_a57_d57_i57 @atom:262_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:263_b3_a3_d3_i3 @atom:263_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:264_b57_a57_d57_i57 @atom:264_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:265_b3_a3_d3_i3 @atom:265_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:266_b47_a47_d47_i47 @atom:266_b47_a47_d47_i47 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:267_b47_a47_d47_i47 @atom:267_b47_a47_d47_i47 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:268_b45_a45_d45_i45 @atom:268_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:269_b4_a4_d4_i4 @atom:269_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:270_b45_a45_d45_i45 @atom:270_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:271_b4_a4_d4_i4 @atom:271_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:272_b46_a46_d46_i46 @atom:272_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:273_b46_a46_d46_i46 @atom:273_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:274_b13_a13_d13_i13 @atom:274_b13_a13_d13_i13 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:275_b46_a46_d46_i46 @atom:275_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:276_b57_a57_d57_i57 @atom:276_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:277_b3_a3_d3_i3 @atom:277_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:278_b56_a56_d56_i56 @atom:278_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:279_b48_a48_d48_i48 @atom:279_b48_a48_d48_i48 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:280_b47_a47_d47_i47 @atom:280_b47_a47_d47_i47 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:281_b47_a47_d47_i47 @atom:281_b47_a47_d47_i47 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:282_b45_a45_d45_i45 @atom:282_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:283_b4_a4_d4_i4 @atom:283_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:284_b55_a55_d55_i55 @atom:284_b55_a55_d55_i55 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:285_b45_a45_d45_i45 @atom:285_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:286_b45_a45_d45_i45 @atom:286_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:287_b46_a46_d46_i46 @atom:287_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:288_b58_a58_d58_i58 @atom:288_b58_a58_d58_i58 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:289_b56_a56_d56_i56 @atom:289_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:290_b59_a59_d59_i59 @atom:290_b59_a59_d59_i59 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:291_b56_a56_d56_i56 @atom:291_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:292_b60_a60_d60_i60 @atom:292_b60_a60_d60_i60 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:293_b60_a60_d60_i60 @atom:293_b60_a60_d60_i60 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:294_b48_a48_d48_i48 @atom:294_b48_a48_d48_i48 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:295_b61_a61_d61_i61 @atom:295_b61_a61_d61_i61 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:296_b62_a62_d62_i62 @atom:296_b62_a62_d62_i62 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:297_b57_a57_d57_i57 @atom:297_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:298_b63_a63_d63_i63 @atom:298_b63_a63_d63_i63 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:299_b55_a55_d55_i55 @atom:299_b55_a55_d55_i55 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:300_b45_a45_d45_i45 @atom:300_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:301_b45_a45_d45_i45 @atom:301_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:302_b63_a63_d63_i63 @atom:302_b63_a63_d63_i63 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:303_b45_a45_d45_i45 @atom:303_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:304_b57_a57_d57_i57 @atom:304_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:305_b48_a48_d48_i48 @atom:305_b48_a48_d48_i48 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:306_b56_a56_d56_i56 @atom:306_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:307_b60_a60_d60_i60 @atom:307_b60_a60_d60_i60 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:308_b60_a60_d60_i60 @atom:308_b60_a60_d60_i60 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:309_b3_a3_d3_i3 @atom:309_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:310_b45_a45_d45_i45 @atom:310_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:311_b55_a55_d55_i55 @atom:311_b55_a55_d55_i55 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:312_b45_a45_d45_i45 @atom:312_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:313_b4_a4_d4_i4 @atom:313_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:314_b13_a13_d13_i13 @atom:314_b13_a13_d13_i13 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:315_b46_a46_d46_i46 @atom:315_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:316_b13_a13_d13_i13 @atom:316_b13_a13_d13_i13 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:317_b46_a46_d46_i46 @atom:317_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:318_b13_a13_d13_i13 @atom:318_b13_a13_d13_i13 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:319_b46_a46_d46_i46 @atom:319_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:320_b57_a57_d57_i57 @atom:320_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:321_b3_a3_d3_i3 @atom:321_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:322_b57_a57_d57_i57 @atom:322_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:323_b48_a48_d48_i48 @atom:323_b48_a48_d48_i48 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:324_b47_a47_d47_i47 @atom:324_b47_a47_d47_i47 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:325_b47_a47_d47_i47 @atom:325_b47_a47_d47_i47 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:326_b45_a45_d45_i45 @atom:326_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:327_b4_a4_d4_i4 @atom:327_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:328_b45_a45_d45_i45 @atom:328_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:329_b55_a55_d55_i55 @atom:329_b55_a55_d55_i55 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:330_b45_a45_d45_i45 @atom:330_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:331_b45_a45_d45_i45 @atom:331_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:332_b49_a49_d49_i49 @atom:332_b49_a49_d49_i49 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:333_b58_a58_d58_i58 @atom:333_b58_a58_d58_i58 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:334_b13_a13_d13_i13 @atom:334_b13_a13_d13_i13 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:335_b46_a46_d46_i46 @atom:335_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:336_b64_a64_d64_i64 @atom:336_b64_a64_d64_i64 lj/cut/coul/long 0.2 3.74
pair_coeff @atom:337_b52_a52_d52_i52 @atom:337_b52_a52_d52_i52 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:338_b20_a20_d20_i20 @atom:338_b20_a20_d20_i20 lj/cut/coul/long 0.17 3.0
pair_coeff @atom:339_b13_a13_d13_i13 @atom:339_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.55
pair_coeff @atom:340_b47_a47_d47_i47 @atom:340_b47_a47_d47_i47 lj/cut/coul/long 0.08 3.5
pair_coeff @atom:341_b21_a21_d21_i21 @atom:341_b21_a21_d21_i21 lj/cut/coul/long 0.3 3.4
pair_coeff @atom:342_b47_a47_d47_i47 @atom:342_b47_a47_d47_i47 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:343_b1_a1_d1_i1 @atom:343_b1_a1_d1_i1 lj/cut/coul/long 0.71 3.05
pair_coeff @atom:344_b21_a21_d21_i21 @atom:344_b21_a21_d21_i21 lj/cut/coul/long 0.71 4.02
pair_coeff @atom:345_b65_a65_d65_i65 @atom:345_b65_a65_d65_i65 lj/cut/coul/long 0.71 4.28
pair_coeff @atom:346_b66_a66_d66_i66 @atom:346_b66_a66_d66_i66 lj/cut/coul/long 0.71 4.81
pair_coeff @atom:347_b67_a67_d67_i67 @atom:347_b67_a67_d67_i67 lj/cut/coul/long 0.0005 5.34
pair_coeff @atom:348_b68_a68_d68_i68 @atom:348_b68_a68_d68_i68 lj/cut/coul/long 0.0005 2.87
pair_coeff @atom:349_b69_a69_d69_i69 @atom:349_b69_a69_d69_i69 lj/cut/coul/long 0.0005 4.07
pair_coeff @atom:350_b70_a70_d70_i70 @atom:350_b70_a70_d70_i70 lj/cut/coul/long 0.0005 5.17
pair_coeff @atom:351_b71_a71_d71_i71 @atom:351_b71_a71_d71_i71 lj/cut/coul/long 0.0005 5.6
pair_coeff @atom:352_b72_a72_d72_i72 @atom:352_b72_a72_d72_i72 lj/cut/coul/long 0.0005 6.2
pair_coeff @atom:353_b73_a73_d73_i73 @atom:353_b73_a73_d73_i73 lj/cut/coul/long 0.875044 1.644471
pair_coeff @atom:354_b74_a74_d74_i74 @atom:354_b74_a74_d74_i74 lj/cut/coul/long 0.449657 2.412031
pair_coeff @atom:355_b75_a75_d75_i75 @atom:355_b75_a75_d75_i75 lj/cut/coul/long 0.118226 3.102688
pair_coeff @atom:356_b76_a76_d76_i76 @atom:356_b76_a76_d76_i76 lj/cut/coul/long 0.047096 3.81661
pair_coeff @atom:357_b6_a6_d6_i6 @atom:357_b6_a6_d6_i6 lj/cut/coul/long 0.3 4.2
pair_coeff @atom:358_b46_a46_d46_i46 @atom:358_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:359_b15_a15_d15_i15 @atom:359_b15_a15_d15_i15 lj/cut/coul/long 0.5 4.25
pair_coeff @atom:360_b6_a6_d6_i6 @atom:360_b6_a6_d6_i6 lj/cut/coul/long 0.3 4.2
pair_coeff @atom:361_b46_a46_d46_i46 @atom:361_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:362_b5_a5_d5_i5 @atom:362_b5_a5_d5_i5 lj/cut/coul/long 0.25 3.15
pair_coeff @atom:363_b13_a13_d13_i13 @atom:363_b13_a13_d13_i13 lj/cut/coul/long 0.3 4.2
pair_coeff @atom:364_b46_a46_d46_i46 @atom:364_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:365_b19_a19_d19_i19 @atom:365_b19_a19_d19_i19 lj/cut/coul/long 0.15 3.65
pair_coeff @atom:366_b18_a18_d18_i18 @atom:366_b18_a18_d18_i18 lj/cut/coul/long 0.25 3.4
pair_coeff @atom:367_b6_a6_d6_i6 @atom:367_b6_a6_d6_i6 lj/cut/coul/long 0.3 4.2
pair_coeff @atom:368_b46_a46_d46_i46 @atom:368_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:369_b53_a53_d53_i53 @atom:369_b53_a53_d53_i53 lj/cut/coul/long 0.25 3.4
pair_coeff @atom:370_b45_a45_d45_i45 @atom:370_b45_a45_d45_i45 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:371_b6_a6_d6_i6 @atom:371_b6_a6_d6_i6 lj/cut/coul/long 0.3 4.2
pair_coeff @atom:372_b46_a46_d46_i46 @atom:372_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:373_b13_a13_d13_i13 @atom:373_b13_a13_d13_i13 lj/cut/coul/long 0.3 4.2
pair_coeff @atom:374_b46_a46_d46_i46 @atom:374_b46_a46_d46_i46 lj/cut/coul/long 0.05 2.5
pair_coeff @atom:375_b33_a33_d33_i33 @atom:375_b33_a33_d33_i33 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:376_b5_a5_d5_i5 @atom:376_b5_a5_d5_i5 lj/cut/coul/long 0.25 3.2
pair_coeff @atom:377_b7_a7_d7_i7 @atom:377_b7_a7_d7_i7 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:378_b77_a77_d77_i77 @atom:378_b77_a77_d77_i77 lj/cut/coul/long 0.4 2.81524
pair_coeff @atom:379_b78_a78_d78_i78 @atom:379_b78_a78_d78_i78 lj/cut/coul/long 0.2 3.11815
pair_coeff @atom:380_b20_a20_d20_i20 @atom:380_b20_a20_d20_i20 lj/cut/coul/long 0.14 2.9
pair_coeff @atom:381_b64_a64_d64_i64 @atom:381_b64_a64_d64_i64 lj/cut/coul/long 0.2 3.74
pair_coeff @atom:382_b52_a52_d52_i52 @atom:382_b52_a52_d52_i52 lj/cut/coul/long 0.2 3.15
pair_coeff @atom:383_b20_a20_d20_i20 @atom:383_b20_a20_d20_i20 lj/cut/coul/long 0.14 2.9
pair_coeff @atom:384_b13_a13_d13_i13 @atom:384_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:385_b46_a46_d46_i46 @atom:385_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:386_b64_a64_d64_i64 @atom:386_b64_a64_d64_i64 lj/cut/coul/long 0.2 3.74
pair_coeff @atom:387_b52_a52_d52_i52 @atom:387_b52_a52_d52_i52 lj/cut/coul/long 0.2 3.15
pair_coeff @atom:388_b20_a20_d20_i20 @atom:388_b20_a20_d20_i20 lj/cut/coul/long 0.14 2.9
pair_coeff @atom:389_b13_a13_d13_i13 @atom:389_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:390_b46_a46_d46_i46 @atom:390_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:391_b64_a64_d64_i64 @atom:391_b64_a64_d64_i64 lj/cut/coul/long 0.2 3.74
pair_coeff @atom:392_b52_a52_d52_i52 @atom:392_b52_a52_d52_i52 lj/cut/coul/long 0.2 3.15
pair_coeff @atom:393_b20_a20_d20_i20 @atom:393_b20_a20_d20_i20 lj/cut/coul/long 0.14 2.9
pair_coeff @atom:394_b13_a13_d13_i13 @atom:394_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:395_b46_a46_d46_i46 @atom:395_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:396_b13_a13_d13_i13 @atom:396_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:397_b46_a46_d46_i46 @atom:397_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:398_b48_a48_d48_i48 @atom:398_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:399_b13_a13_d13_i13 @atom:399_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:400_b46_a46_d46_i46 @atom:400_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:401_b48_a48_d48_i48 @atom:401_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:402_b13_a13_d13_i13 @atom:402_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:403_b46_a46_d46_i46 @atom:403_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:404_b48_a48_d48_i48 @atom:404_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:405_b13_a13_d13_i13 @atom:405_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:406_b3_a3_d3_i3 @atom:406_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:407_b4_a4_d4_i4 @atom:407_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:408_b20_a20_d20_i20 @atom:408_b20_a20_d20_i20 lj/cut/coul/long 0.17 3.0
pair_coeff @atom:409_b13_a13_d13_i13 @atom:409_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:410_b46_a46_d46_i46 @atom:410_b46_a46_d46_i46 lj/cut/coul/long 0.015 2.42
pair_coeff @atom:411_b3_a3_d3_i3 @atom:411_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:412_b3_a3_d3_i3 @atom:412_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:413_b48_a48_d48_i48 @atom:413_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:414_b20_a20_d20_i20 @atom:414_b20_a20_d20_i20 lj/cut/coul/long 0.17 3.0
pair_coeff @atom:415_b79_a79_d79_i79 @atom:415_b79_a79_d79_i79 lj/cut/coul/long 0.25 3.55
pair_coeff @atom:416_b23_a23_d23_i23 @atom:416_b23_a23_d23_i23 lj/cut/coul/long 0.17 2.96
pair_coeff @atom:417_b13_a13_d13_i13 @atom:417_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:418_b46_a46_d46_i46 @atom:418_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:419_b24_a24_d24_i24 @atom:419_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:420_b45_a45_d45_i45 @atom:420_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:421_b24_a24_d24_i24 @atom:421_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:422_b45_a45_d45_i45 @atom:422_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:423_b13_a13_d13_i13 @atom:423_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:424_b46_a46_d46_i46 @atom:424_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:425_b13_a13_d13_i13 @atom:425_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:426_b46_a46_d46_i46 @atom:426_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:427_b13_a13_d13_i13 @atom:427_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:428_b46_a46_d46_i46 @atom:428_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:429_b48_a48_d48_i48 @atom:429_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:430_b48_a48_d48_i48 @atom:430_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:431_b13_a13_d13_i13 @atom:431_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:432_b13_a13_d13_i13 @atom:432_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:433_b13_a13_d13_i13 @atom:433_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:434_b79_a79_d79_i79 @atom:434_b79_a79_d79_i79 lj/cut/coul/long 0.25 3.55
pair_coeff @atom:435_b23_a23_d23_i23 @atom:435_b23_a23_d23_i23 lj/cut/coul/long 0.17 2.96
pair_coeff @atom:436_b22_a22_d22_i22 @atom:436_b22_a22_d22_i22 lj/cut/coul/long 0.395 3.56
pair_coeff @atom:437_b22_a22_d22_i22 @atom:437_b22_a22_d22_i22 lj/cut/coul/long 0.395 3.56
pair_coeff @atom:438_b23_a23_d23_i23 @atom:438_b23_a23_d23_i23 lj/cut/coul/long 0.28 2.93
pair_coeff @atom:439_b13_a13_d13_i13 @atom:439_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:440_b13_a13_d13_i13 @atom:440_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:441_b80_a80_d80_i80 @atom:441_b80_a80_d80_i80 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:442_b60_a60_d60_i60 @atom:442_b60_a60_d60_i60 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:443_b81_a81_d81_i81 @atom:443_b81_a81_d81_i81 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:444_b57_a57_d57_i57 @atom:444_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:445_b45_a45_d45_i45 @atom:445_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:446_b13_a13_d13_i13 @atom:446_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:447_b82_a82_d82_i82 @atom:447_b82_a82_d82_i82 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:448_b83_a83_d83_i83 @atom:448_b83_a83_d83_i83 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:449_b84_a84_d84_i84 @atom:449_b84_a84_d84_i84 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:450_b82_a82_d82_i82 @atom:450_b82_a82_d82_i82 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:451_b85_a85_d85_i85 @atom:451_b85_a85_d85_i85 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:452_b61_a61_d61_i61 @atom:452_b61_a61_d61_i61 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:453_b57_a57_d57_i57 @atom:453_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:454_b45_a45_d45_i45 @atom:454_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:455_b84_a84_d84_i84 @atom:455_b84_a84_d84_i84 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:456_b13_a13_d13_i13 @atom:456_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:457_b13_a13_d13_i13 @atom:457_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:458_b47_a47_d47_i47 @atom:458_b47_a47_d47_i47 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:459_b47_a47_d47_i47 @atom:459_b47_a47_d47_i47 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:460_b86_a86_d86_i86 @atom:460_b86_a86_d86_i86 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:461_b56_a56_d56_i56 @atom:461_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:462_b48_a48_d48_i48 @atom:462_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:463_b48_a48_d48_i48 @atom:463_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:464_b48_a48_d48_i48 @atom:464_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:465_b49_a49_d49_i49 @atom:465_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:466_b49_a49_d49_i49 @atom:466_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:467_b49_a49_d49_i49 @atom:467_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:468_b56_a56_d56_i56 @atom:468_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:469_b48_a48_d48_i48 @atom:469_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:470_b49_a49_d49_i49 @atom:470_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:471_b56_a56_d56_i56 @atom:471_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:472_b59_a59_d59_i59 @atom:472_b59_a59_d59_i59 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:473_b48_a48_d48_i48 @atom:473_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:474_b48_a48_d48_i48 @atom:474_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:475_b49_a49_d49_i49 @atom:475_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:476_b49_a49_d49_i49 @atom:476_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:477_b49_a49_d49_i49 @atom:477_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:478_b56_a56_d56_i56 @atom:478_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:479_b48_a48_d48_i48 @atom:479_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:480_b48_a48_d48_i48 @atom:480_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:481_b49_a49_d49_i49 @atom:481_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:482_b49_a49_d49_i49 @atom:482_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:483_b57_a57_d57_i57 @atom:483_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:484_b84_a84_d84_i84 @atom:484_b84_a84_d84_i84 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:485_b87_a87_d87_i87 @atom:485_b87_a87_d87_i87 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:486_b45_a45_d45_i45 @atom:486_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:487_b49_a49_d49_i49 @atom:487_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:488_b49_a49_d49_i49 @atom:488_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:489_b57_a57_d57_i57 @atom:489_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:490_b61_a61_d61_i61 @atom:490_b61_a61_d61_i61 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:491_b88_a88_d88_i88 @atom:491_b88_a88_d88_i88 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:492_b87_a87_d87_i87 @atom:492_b87_a87_d87_i87 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:493_b84_a84_d84_i84 @atom:493_b84_a84_d84_i84 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:494_b45_a45_d45_i45 @atom:494_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:495_b49_a49_d49_i49 @atom:495_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:496_b49_a49_d49_i49 @atom:496_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:497_b49_a49_d49_i49 @atom:497_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:498_b57_a57_d57_i57 @atom:498_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:499_b82_a82_d82_i82 @atom:499_b82_a82_d82_i82 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:500_b61_a61_d61_i61 @atom:500_b61_a61_d61_i61 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:501_b83_a83_d83_i83 @atom:501_b83_a83_d83_i83 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:502_b84_a84_d84_i84 @atom:502_b84_a84_d84_i84 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:503_b45_a45_d45_i45 @atom:503_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:504_b49_a49_d49_i49 @atom:504_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:505_b49_a49_d49_i49 @atom:505_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:506_b49_a49_d49_i49 @atom:506_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:507_b20_a20_d20_i20 @atom:507_b20_a20_d20_i20 lj/cut/coul/long 0.14 2.9
pair_coeff @atom:508_b84_a84_d84_i84 @atom:508_b84_a84_d84_i84 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:509_b87_a87_d87_i87 @atom:509_b87_a87_d87_i87 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:510_b49_a49_d49_i49 @atom:510_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:511_b49_a49_d49_i49 @atom:511_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:512_b20_a20_d20_i20 @atom:512_b20_a20_d20_i20 lj/cut/coul/long 0.14 2.9
pair_coeff @atom:513_b82_a82_d82_i82 @atom:513_b82_a82_d82_i82 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:514_b61_a61_d61_i61 @atom:514_b61_a61_d61_i61 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:515_b83_a83_d83_i83 @atom:515_b83_a83_d83_i83 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:516_b84_a84_d84_i84 @atom:516_b84_a84_d84_i84 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:517_b49_a49_d49_i49 @atom:517_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:518_b49_a49_d49_i49 @atom:518_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:519_b49_a49_d49_i49 @atom:519_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:520_b20_a20_d20_i20 @atom:520_b20_a20_d20_i20 lj/cut/coul/long 0.14 2.9
pair_coeff @atom:521_b61_a61_d61_i61 @atom:521_b61_a61_d61_i61 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:522_b88_a88_d88_i88 @atom:522_b88_a88_d88_i88 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:523_b87_a87_d87_i87 @atom:523_b87_a87_d87_i87 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:524_b84_a84_d84_i84 @atom:524_b84_a84_d84_i84 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:525_b49_a49_d49_i49 @atom:525_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:526_b49_a49_d49_i49 @atom:526_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:527_b49_a49_d49_i49 @atom:527_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:528_b57_a57_d57_i57 @atom:528_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:529_b84_a84_d84_i84 @atom:529_b84_a84_d84_i84 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:530_b87_a87_d87_i87 @atom:530_b87_a87_d87_i87 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:531_b48_a48_d48_i48 @atom:531_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:532_b48_a48_d48_i48 @atom:532_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:533_b48_a48_d48_i48 @atom:533_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:534_b48_a48_d48_i48 @atom:534_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:535_b81_a81_d81_i81 @atom:535_b81_a81_d81_i81 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:536_b60_a60_d60_i60 @atom:536_b60_a60_d60_i60 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:537_b45_a45_d45_i45 @atom:537_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:538_b49_a49_d49_i49 @atom:538_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:539_b49_a49_d49_i49 @atom:539_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:540_b49_a49_d49_i49 @atom:540_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:541_b49_a49_d49_i49 @atom:541_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:542_b49_a49_d49_i49 @atom:542_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:543_b49_a49_d49_i49 @atom:543_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:544_b56_a56_d56_i56 @atom:544_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:545_b48_a48_d48_i48 @atom:545_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:546_b48_a48_d48_i48 @atom:546_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:547_b48_a48_d48_i48 @atom:547_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:548_b48_a48_d48_i48 @atom:548_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:549_b48_a48_d48_i48 @atom:549_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:550_b48_a48_d48_i48 @atom:550_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:551_b48_a48_d48_i48 @atom:551_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:552_b48_a48_d48_i48 @atom:552_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:553_b48_a48_d48_i48 @atom:553_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:554_b49_a49_d49_i49 @atom:554_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:555_b49_a49_d49_i49 @atom:555_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:556_b49_a49_d49_i49 @atom:556_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:557_b49_a49_d49_i49 @atom:557_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:558_b49_a49_d49_i49 @atom:558_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:559_b49_a49_d49_i49 @atom:559_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:560_b49_a49_d49_i49 @atom:560_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:561_b56_a56_d56_i56 @atom:561_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:562_b59_a59_d59_i59 @atom:562_b59_a59_d59_i59 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:563_b56_a56_d56_i56 @atom:563_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:564_b60_a60_d60_i60 @atom:564_b60_a60_d60_i60 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:565_b60_a60_d60_i60 @atom:565_b60_a60_d60_i60 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:566_b48_a48_d48_i48 @atom:566_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:567_b61_a61_d61_i61 @atom:567_b61_a61_d61_i61 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:568_b62_a62_d62_i62 @atom:568_b62_a62_d62_i62 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:569_b57_a57_d57_i57 @atom:569_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:570_b49_a49_d49_i49 @atom:570_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:571_b49_a49_d49_i49 @atom:571_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:572_b49_a49_d49_i49 @atom:572_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:573_b45_a45_d45_i45 @atom:573_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:574_b16_a16_d16_i16 @atom:574_b16_a16_d16_i16 lj/cut/coul/long 0.25 3.55
pair_coeff @atom:575_b82_a82_d82_i82 @atom:575_b82_a82_d82_i82 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:576_b61_a61_d61_i61 @atom:576_b61_a61_d61_i61 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:577_b83_a83_d83_i83 @atom:577_b83_a83_d83_i83 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:578_b84_a84_d84_i84 @atom:578_b84_a84_d84_i84 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:579_b49_a49_d49_i49 @atom:579_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:580_b49_a49_d49_i49 @atom:580_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:581_b49_a49_d49_i49 @atom:581_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:582_b56_a56_d56_i56 @atom:582_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:583_b59_a59_d59_i59 @atom:583_b59_a59_d59_i59 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:584_b49_a49_d49_i49 @atom:584_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:585_b48_a48_d48_i48 @atom:585_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:586_b13_a13_d13_i13 @atom:586_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:587_b56_a56_d56_i56 @atom:587_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:588_b48_a48_d48_i48 @atom:588_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:589_b48_a48_d48_i48 @atom:589_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:590_b48_a48_d48_i48 @atom:590_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:591_b48_a48_d48_i48 @atom:591_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:592_b48_a48_d48_i48 @atom:592_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:593_b48_a48_d48_i48 @atom:593_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:594_b49_a49_d49_i49 @atom:594_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:595_b49_a49_d49_i49 @atom:595_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:596_b49_a49_d49_i49 @atom:596_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:597_b49_a49_d49_i49 @atom:597_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:598_b57_a57_d57_i57 @atom:598_b57_a57_d57_i57 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:599_b82_a82_d82_i82 @atom:599_b82_a82_d82_i82 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:600_b61_a61_d61_i61 @atom:600_b61_a61_d61_i61 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:601_b83_a83_d83_i83 @atom:601_b83_a83_d83_i83 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:602_b84_a84_d84_i84 @atom:602_b84_a84_d84_i84 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:603_b13_a13_d13_i13 @atom:603_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:604_b49_a49_d49_i49 @atom:604_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:605_b49_a49_d49_i49 @atom:605_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:606_b49_a49_d49_i49 @atom:606_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:607_b46_a46_d46_i46 @atom:607_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:608_b13_a13_d13_i13 @atom:608_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:609_b13_a13_d13_i13 @atom:609_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:610_b13_a13_d13_i13 @atom:610_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:611_b13_a13_d13_i13 @atom:611_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:612_b13_a13_d13_i13 @atom:612_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:613_b13_a13_d13_i13 @atom:613_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:614_b13_a13_d13_i13 @atom:614_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:615_b13_a13_d13_i13 @atom:615_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:616_b13_a13_d13_i13 @atom:616_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:617_b13_a13_d13_i13 @atom:617_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:618_b13_a13_d13_i13 @atom:618_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:619_b13_a13_d13_i13 @atom:619_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:620_b13_a13_d13_i13 @atom:620_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:621_b13_a13_d13_i13 @atom:621_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:622_b13_a13_d13_i13 @atom:622_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:623_b15_a15_d15_i15 @atom:623_b15_a15_d15_i15 lj/cut/coul/long 0.25 3.55
pair_coeff @atom:624_b17_a17_d17_i17 @atom:624_b17_a17_d17_i17 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:625_b48_a48_d48_i48 @atom:625_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:626_b89_a89_d89_i89 @atom:626_b89_a89_d89_i89 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:627_b90_a90_d90_i90 @atom:627_b90_a90_d90_i90 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:628_b91_a91_d91_i91 @atom:628_b91_a91_d91_i91 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:629_b91_a91_d91_i91 @atom:629_b91_a91_d91_i91 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:630_b13_a13_d13_i13 @atom:630_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:631_b86_a86_d86_i86 @atom:631_b86_a86_d86_i86 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:632_b86_a86_d86_i86 @atom:632_b86_a86_d86_i86 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:633_b86_a86_d86_i86 @atom:633_b86_a86_d86_i86 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:634_b86_a86_d86_i86 @atom:634_b86_a86_d86_i86 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:635_b86_a86_d86_i86 @atom:635_b86_a86_d86_i86 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:636_b86_a86_d86_i86 @atom:636_b86_a86_d86_i86 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:637_b16_a16_d16_i16 @atom:637_b16_a16_d16_i16 lj/cut/coul/long 0.25 3.55
pair_coeff @atom:638_b92_a92_d92_i92 @atom:638_b92_a92_d92_i92 lj/cut/coul/long 0.054 3.473
pair_coeff @atom:639_b93_a93_d93_i93 @atom:639_b93_a93_d93_i93 lj/cut/coul/long 0.05 3.3
pair_coeff @atom:640_b94_a94_d94_i94 @atom:640_b94_a94_d94_i94 lj/cut/coul/long 0.05 3.3
pair_coeff @atom:641_b95_a95_d95_i95 @atom:641_b95_a95_d95_i95 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:642_b13_a13_d13_i13 @atom:642_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:643_b46_a46_d46_i46 @atom:643_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:644_b96_a96_d96_i96 @atom:644_b96_a96_d96_i96 lj/cut/coul/long 0.06 3.75
pair_coeff @atom:645_b97_a97_d97_i97 @atom:645_b97_a97_d97_i97 lj/cut/coul/long 0.054 3.473
pair_coeff @atom:646_b98_a98_d98_i98 @atom:646_b98_a98_d98_i98 lj/cut/coul/long 0.05 3.3
pair_coeff @atom:647_b99_a99_d99_i99 @atom:647_b99_a99_d99_i99 lj/cut/coul/long 0.05 3.3
pair_coeff @atom:648_b100_a100_d100_i100 @atom:648_b100_a100_d100_i100 lj/cut/coul/long 0.04 2.95
pair_coeff @atom:649_b47_a47_d47_i47 @atom:649_b47_a47_d47_i47 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:650_b21_a21_d21_i21 @atom:650_b21_a21_d21_i21 lj/cut/coul/long 0.3 3.4
pair_coeff @atom:651_b46_a46_d46_i46 @atom:651_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:652_b91_a91_d91_i91 @atom:652_b91_a91_d91_i91 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:653_b91_a91_d91_i91 @atom:653_b91_a91_d91_i91 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:654_b91_a91_d91_i91 @atom:654_b91_a91_d91_i91 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:655_b48_a48_d48_i48 @atom:655_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:656_b49_a49_d49_i49 @atom:656_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:657_b48_a48_d48_i48 @atom:657_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:658_b49_a49_d49_i49 @atom:658_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:659_b48_a48_d48_i48 @atom:659_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:660_b1_a1_d1_i1 @atom:660_b1_a1_d1_i1 lj/cut/coul/long 0.061 2.85
pair_coeff @atom:661_b48_a48_d48_i48 @atom:661_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:662_b1_a1_d1_i1 @atom:662_b1_a1_d1_i1 lj/cut/coul/long 0.061 2.85
pair_coeff @atom:663_b65_a65_d65_i65 @atom:663_b65_a65_d65_i65 lj/cut/coul/long 0.47 3.47
pair_coeff @atom:664_b2_a2_d2_i2 @atom:664_b2_a2_d2_i2 lj/cut/coul/long 0.118 3.905
pair_coeff @atom:665_b48_a48_d48_i48 @atom:665_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:666_b13_a13_d13_i13 @atom:666_b13_a13_d13_i13 lj/cut/coul/long 0.062 3.25
pair_coeff @atom:667_b1_a1_d1_i1 @atom:667_b1_a1_d1_i1 lj/cut/coul/long 0.061 2.94
pair_coeff @atom:668_b48_a48_d48_i48 @atom:668_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:669_b1_a1_d1_i1 @atom:669_b1_a1_d1_i1 lj/cut/coul/long 0.061 2.85
pair_coeff @atom:670_b48_a48_d48_i48 @atom:670_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:671_b65_a65_d65_i65 @atom:671_b65_a65_d65_i65 lj/cut/coul/long 0.47 3.47
pair_coeff @atom:672_b48_a48_d48_i48 @atom:672_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:673_b66_a66_d66_i66 @atom:673_b66_a66_d66_i66 lj/cut/coul/long 0.6 3.75
pair_coeff @atom:674_b91_a91_d91_i91 @atom:674_b91_a91_d91_i91 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:675_b15_a15_d15_i15 @atom:675_b15_a15_d15_i15 lj/cut/coul/long 0.25 3.55
pair_coeff @atom:676_b48_a48_d48_i48 @atom:676_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:677_b48_a48_d48_i48 @atom:677_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:678_b48_a48_d48_i48 @atom:678_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:679_b48_a48_d48_i48 @atom:679_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:680_b48_a48_d48_i48 @atom:680_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:681_b49_a49_d49_i49 @atom:681_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:682_b49_a49_d49_i49 @atom:682_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:683_b48_a48_d48_i48 @atom:683_b48_a48_d48_i48 lj/cut/coul/long 0.05 3.55
pair_coeff @atom:684_b55_a55_d55_i55 @atom:684_b55_a55_d55_i55 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:685_b45_a45_d45_i45 @atom:685_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:686_b45_a45_d45_i45 @atom:686_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:687_b49_a49_d49_i49 @atom:687_b49_a49_d49_i49 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:688_b13_a13_d13_i13 @atom:688_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:689_b13_a13_d13_i13 @atom:689_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:690_b101_a101_d101_i101 @atom:690_b101_a101_d101_i101 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:691_b56_a56_d56_i56 @atom:691_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:692_b101_a101_d101_i101 @atom:692_b101_a101_d101_i101 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:693_b48_a48_d48_i48 @atom:693_b48_a48_d48_i48 lj/cut/coul/long 0.05 3.55
pair_coeff @atom:694_b18_a18_d18_i18 @atom:694_b18_a18_d18_i18 lj/cut/coul/long 0.17 3.2
pair_coeff @atom:695_b19_a19_d19_i19 @atom:695_b19_a19_d19_i19 lj/cut/coul/long 0.066 3.3
pair_coeff @atom:696_b13_a13_d13_i13 @atom:696_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.3
pair_coeff @atom:697_b13_a13_d13_i13 @atom:697_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.3
pair_coeff @atom:698_b13_a13_d13_i13 @atom:698_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.3
pair_coeff @atom:699_b13_a13_d13_i13 @atom:699_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.3
pair_coeff @atom:700_b46_a46_d46_i46 @atom:700_b46_a46_d46_i46 lj/cut/coul/long 0.015 2.5
pair_coeff @atom:701_b102_a102_d102_i102 @atom:701_b102_a102_d102_i102 lj/cut/coul/long 0.12 3.25
pair_coeff @atom:702_b103_a103_d103_i103 @atom:702_b103_a103_d103_i103 lj/cut/coul/long 0.17 2.96
pair_coeff @atom:703_b13_a13_d13_i13 @atom:703_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:704_b46_a46_d46_i46 @atom:704_b46_a46_d46_i46 lj/cut/coul/long 0.015 2.5
pair_coeff @atom:705_b13_a13_d13_i13 @atom:705_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:706_b13_a13_d13_i13 @atom:706_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:707_b13_a13_d13_i13 @atom:707_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:708_b102_a102_d102_i102 @atom:708_b102_a102_d102_i102 lj/cut/coul/long 0.12 3.25
pair_coeff @atom:709_b48_a48_d48_i48 @atom:709_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:710_b13_a13_d13_i13 @atom:710_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.3
pair_coeff @atom:711_b56_a56_d56_i56 @atom:711_b56_a56_d56_i56 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:712_b4_a4_d4_i4 @atom:712_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:713_b3_a3_d3_i3 @atom:713_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:714_b20_a20_d20_i20 @atom:714_b20_a20_d20_i20 lj/cut/coul/long 0.17 3.0
pair_coeff @atom:715_b13_a13_d13_i13 @atom:715_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:716_b13_a13_d13_i13 @atom:716_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:717_b13_a13_d13_i13 @atom:717_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:718_b46_a46_d46_i46 @atom:718_b46_a46_d46_i46 lj/cut/coul/long 0.015 2.42
pair_coeff @atom:719_b46_a46_d46_i46 @atom:719_b46_a46_d46_i46 lj/cut/coul/long 0.015 2.42
pair_coeff @atom:720_b46_a46_d46_i46 @atom:720_b46_a46_d46_i46 lj/cut/coul/long 0.015 2.42
pair_coeff @atom:721_b20_a20_d20_i20 @atom:721_b20_a20_d20_i20 lj/cut/coul/long 0.14 2.9
pair_coeff @atom:722_b104_a104_d104_i104 @atom:722_b104_a104_d104_i104 lj/cut/coul/long 0.2 3.74
pair_coeff @atom:723_b13_a13_d13_i13 @atom:723_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:724_b13_a13_d13_i13 @atom:724_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:725_b46_a46_d46_i46 @atom:725_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:726_b64_a64_d64_i64 @atom:726_b64_a64_d64_i64 lj/cut/coul/long 0.2 3.74
pair_coeff @atom:727_b1_a1_d1_i1 @atom:727_b1_a1_d1_i1 lj/cut/coul/long 0.061 3.1181
pair_coeff @atom:728_b24_a24_d24_i24 @atom:728_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.15
pair_coeff @atom:729_b4_a4_d4_i4 @atom:729_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.86
pair_coeff @atom:730_b44_a44_d44_i44 @atom:730_b44_a44_d44_i44 lj/cut/coul/long 0.17 3.3
pair_coeff @atom:731_b44_a44_d44_i44 @atom:731_b44_a44_d44_i44 lj/cut/coul/long 0.17 3.3
pair_coeff @atom:732_b44_a44_d44_i44 @atom:732_b44_a44_d44_i44 lj/cut/coul/long 0.17 3.3
pair_coeff @atom:733_b13_a13_d13_i13 @atom:733_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:734_b13_a13_d13_i13 @atom:734_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:735_b13_a13_d13_i13 @atom:735_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:736_b13_a13_d13_i13 @atom:736_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:737_b13_a13_d13_i13 @atom:737_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:738_b13_a13_d13_i13 @atom:738_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:739_b45_a45_d45_i45 @atom:739_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:740_b45_a45_d45_i45 @atom:740_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:741_b46_a46_d46_i46 @atom:741_b46_a46_d46_i46 lj/cut/coul/long 0.015 2.5
pair_coeff @atom:742_b13_a13_d13_i13 @atom:742_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:743_b13_a13_d13_i13 @atom:743_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:744_b13_a13_d13_i13 @atom:744_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:745_b13_a13_d13_i13 @atom:745_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:746_b48_a48_d48_i48 @atom:746_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:747_b48_a48_d48_i48 @atom:747_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:748_b48_a48_d48_i48 @atom:748_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:749_b13_a13_d13_i13 @atom:749_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:750_b13_a13_d13_i13 @atom:750_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:751_b13_a13_d13_i13 @atom:751_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:752_b13_a13_d13_i13 @atom:752_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:753_b13_a13_d13_i13 @atom:753_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:754_b13_a13_d13_i13 @atom:754_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:755_b19_a19_d19_i19 @atom:755_b19_a19_d19_i19 lj/cut/coul/long 0.086 3.3
pair_coeff @atom:756_b46_a46_d46_i46 @atom:756_b46_a46_d46_i46 lj/cut/coul/long 0.015 2.42
pair_coeff @atom:757_b19_a19_d19_i19 @atom:757_b19_a19_d19_i19 lj/cut/coul/long 0.21 3.3
pair_coeff @atom:758_b19_a19_d19_i19 @atom:758_b19_a19_d19_i19 lj/cut/coul/long 0.135 3.3
pair_coeff @atom:759_b19_a19_d19_i19 @atom:759_b19_a19_d19_i19 lj/cut/coul/long 0.1 3.3
pair_coeff @atom:760_b46_a46_d46_i46 @atom:760_b46_a46_d46_i46 lj/cut/coul/long 0.015 2.5
pair_coeff @atom:761_b51_a51_d51_i51 @atom:761_b51_a51_d51_i51 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:762_b51_a51_d51_i51 @atom:762_b51_a51_d51_i51 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:763_b51_a51_d51_i51 @atom:763_b51_a51_d51_i51 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:764_b5_a5_d5_i5 @atom:764_b5_a5_d5_i5 lj/cut/coul/long 0.17 3.12
pair_coeff @atom:765_b7_a7_d7_i7 @atom:765_b7_a7_d7_i7 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:766_b105_a105_d105_i105 @atom:766_b105_a105_d105_i105 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:767_b105_a105_d105_i105 @atom:767_b105_a105_d105_i105 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:768_b105_a105_d105_i105 @atom:768_b105_a105_d105_i105 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:769_b19_a19_d19_i19 @atom:769_b19_a19_d19_i19 lj/cut/coul/long 0.21 3.3
pair_coeff @atom:770_b53_a53_d53_i53 @atom:770_b53_a53_d53_i53 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:771_b54_a54_d54_i54 @atom:771_b54_a54_d54_i54 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:772_b13_a13_d13_i13 @atom:772_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:773_b13_a13_d13_i13 @atom:773_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:774_b13_a13_d13_i13 @atom:774_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:775_b13_a13_d13_i13 @atom:775_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:776_b84_a84_d84_i84 @atom:776_b84_a84_d84_i84 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:777_b87_a87_d87_i87 @atom:777_b87_a87_d87_i87 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:778_b86_a86_d86_i86 @atom:778_b86_a86_d86_i86 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:779_b86_a86_d86_i86 @atom:779_b86_a86_d86_i86 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:780_b46_a46_d46_i46 @atom:780_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:781_b13_a13_d13_i13 @atom:781_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:782_b3_a3_d3_i3 @atom:782_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:783_b53_a53_d53_i53 @atom:783_b53_a53_d53_i53 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:784_b52_a52_d52_i52 @atom:784_b52_a52_d52_i52 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:785_b54_a54_d54_i54 @atom:785_b54_a54_d54_i54 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:786_b1_a1_d1_i1 @atom:786_b1_a1_d1_i1 lj/cut/coul/long 0.061 2.94
pair_coeff @atom:787_b13_a13_d13_i13 @atom:787_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:788_b46_a46_d46_i46 @atom:788_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:789_b13_a13_d13_i13 @atom:789_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:790_b13_a13_d13_i13 @atom:790_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:791_b13_a13_d13_i13 @atom:791_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:792_b13_a13_d13_i13 @atom:792_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:793_b13_a13_d13_i13 @atom:793_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:794_b13_a13_d13_i13 @atom:794_b13_a13_d13_i13 lj/cut/coul/long 0.097 3.5
pair_coeff @atom:795_b1_a1_d1_i1 @atom:795_b1_a1_d1_i1 lj/cut/coul/long 0.053 2.95
pair_coeff @atom:796_b13_a13_d13_i13 @atom:796_b13_a13_d13_i13 lj/cut/coul/long 0.062 3.25
pair_coeff @atom:797_b46_a46_d46_i46 @atom:797_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:798_b13_a13_d13_i13 @atom:798_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:799_b13_a13_d13_i13 @atom:799_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:800_b21_a21_d21_i21 @atom:800_b21_a21_d21_i21 lj/cut/coul/long 0.3 3.4
pair_coeff @atom:801_b13_a13_d13_i13 @atom:801_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:802_b46_a46_d46_i46 @atom:802_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:803_b13_a13_d13_i13 @atom:803_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:804_b13_a13_d13_i13 @atom:804_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:805_b65_a65_d65_i65 @atom:805_b65_a65_d65_i65 lj/cut/coul/long 0.47 3.47
pair_coeff @atom:806_b13_a13_d13_i13 @atom:806_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:807_b46_a46_d46_i46 @atom:807_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:808_b13_a13_d13_i13 @atom:808_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:809_b13_a13_d13_i13 @atom:809_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:810_b1_a1_d1_i1 @atom:810_b1_a1_d1_i1 lj/cut/coul/long 0.061 2.94
pair_coeff @atom:811_b21_a21_d21_i21 @atom:811_b21_a21_d21_i21 lj/cut/coul/long 0.3 3.4
pair_coeff @atom:812_b65_a65_d65_i65 @atom:812_b65_a65_d65_i65 lj/cut/coul/long 0.47 3.47
pair_coeff @atom:813_b48_a48_d48_i48 @atom:813_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:814_b20_a20_d20_i20 @atom:814_b20_a20_d20_i20 lj/cut/coul/long 0.14 2.9
pair_coeff @atom:815_b13_a13_d13_i13 @atom:815_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:816_b1_a1_d1_i1 @atom:816_b1_a1_d1_i1 lj/cut/coul/long 0.06 2.9
pair_coeff @atom:817_b24_a24_d24_i24 @atom:817_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:818_b48_a48_d48_i48 @atom:818_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:819_b13_a13_d13_i13 @atom:819_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:820_b3_a3_d3_i3 @atom:820_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:821_b3_a3_d3_i3 @atom:821_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:822_b4_a4_d4_i4 @atom:822_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:823_b24_a24_d24_i24 @atom:823_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:824_b45_a45_d45_i45 @atom:824_b45_a45_d45_i45 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:825_b5_a5_d5_i5 @atom:825_b5_a5_d5_i5 lj/cut/coul/long 0.17 3.12
pair_coeff @atom:826_b7_a7_d7_i7 @atom:826_b7_a7_d7_i7 lj/cut/coul/long 0.0 0.0
pair_coeff @atom:827_b13_a13_d13_i13 @atom:827_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:828_b13_a13_d13_i13 @atom:828_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:829_b86_a86_d86_i86 @atom:829_b86_a86_d86_i86 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:830_b86_a86_d86_i86 @atom:830_b86_a86_d86_i86 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:831_b86_a86_d86_i86 @atom:831_b86_a86_d86_i86 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:832_b86_a86_d86_i86 @atom:832_b86_a86_d86_i86 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:833_b48_a48_d48_i48 @atom:833_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:834_b106_a106_d106_i106 @atom:834_b106_a106_d106_i106 lj/cut/coul/long 0.0125 1.96
pair_coeff @atom:835_b13_a13_d13_i13 @atom:835_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:836_b13_a13_d13_i13 @atom:836_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:837_b13_a13_d13_i13 @atom:837_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:838_b66_a66_d66_i66 @atom:838_b66_a66_d66_i66 lj/cut/coul/long 0.6 3.75
pair_coeff @atom:839_b46_a46_d46_i46 @atom:839_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:840_b24_a24_d24_i24 @atom:840_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:841_b48_a48_d48_i48 @atom:841_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:842_b48_a48_d48_i48 @atom:842_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:843_b24_a24_d24_i24 @atom:843_b24_a24_d24_i24 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:844_b48_a48_d48_i48 @atom:844_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:845_b3_a3_d3_i3 @atom:845_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:846_b4_a4_d4_i4 @atom:846_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:847_b107_a107_d107_i107 @atom:847_b107_a107_d107_i107 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:848_b13_a13_d13_i13 @atom:848_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:849_b13_a13_d13_i13 @atom:849_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:850_b13_a13_d13_i13 @atom:850_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:851_b13_a13_d13_i13 @atom:851_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:852_b46_a46_d46_i46 @atom:852_b46_a46_d46_i46 lj/cut/coul/long 0.015 2.42
pair_coeff @atom:853_b3_a3_d3_i3 @atom:853_b3_a3_d3_i3 lj/cut/coul/long 0.105 3.75
pair_coeff @atom:854_b4_a4_d4_i4 @atom:854_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:855_b46_a46_d46_i46 @atom:855_b46_a46_d46_i46 lj/cut/coul/long 0.015 2.42
pair_coeff @atom:856_b13_a13_d13_i13 @atom:856_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:857_b13_a13_d13_i13 @atom:857_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:858_b13_a13_d13_i13 @atom:858_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:859_b13_a13_d13_i13 @atom:859_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:860_b13_a13_d13_i13 @atom:860_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:861_b13_a13_d13_i13 @atom:861_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:862_b13_a13_d13_i13 @atom:862_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:863_b13_a13_d13_i13 @atom:863_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:864_b13_a13_d13_i13 @atom:864_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:865_b13_a13_d13_i13 @atom:865_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:866_b108_a108_d108_i108 @atom:866_b108_a108_d108_i108 lj/cut/coul/long 0.1 4.0
pair_coeff @atom:867_b108_a108_d108_i108 @atom:867_b108_a108_d108_i108 lj/cut/coul/long 0.1 4.0
pair_coeff @atom:868_b108_a108_d108_i108 @atom:868_b108_a108_d108_i108 lj/cut/coul/long 0.1 4.0
pair_coeff @atom:869_b108_a108_d108_i108 @atom:869_b108_a108_d108_i108 lj/cut/coul/long 0.1 4.0
pair_coeff @atom:870_b45_a45_d45_i45 @atom:870_b45_a45_d45_i45 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:871_b13_a13_d13_i13 @atom:871_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:872_b13_a13_d13_i13 @atom:872_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:873_b13_a13_d13_i13 @atom:873_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:874_b13_a13_d13_i13 @atom:874_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:875_b1_a1_d1_i1 @atom:875_b1_a1_d1_i1 lj/cut/coul/long 0.72 3.08
pair_coeff @atom:876_b21_a21_d21_i21 @atom:876_b21_a21_d21_i21 lj/cut/coul/long 0.11779 4.18
pair_coeff @atom:877_b65_a65_d65_i65 @atom:877_b65_a65_d65_i65 lj/cut/coul/long 0.09 4.51
pair_coeff @atom:878_b66_a66_d66_i66 @atom:878_b66_a66_d66_i66 lj/cut/coul/long 0.07 5.15
pair_coeff @atom:879_b68_a68_d68_i68 @atom:879_b68_a68_d68_i68 lj/cut/coul/long 0.018279 2.7
pair_coeff @atom:880_b69_a69_d69_i69 @atom:880_b69_a69_d69_i69 lj/cut/coul/long 0.002772 3.35
pair_coeff @atom:881_b70_a70_d70_i70 @atom:881_b70_a70_d70_i70 lj/cut/coul/long 0.000328 4.06
pair_coeff @atom:882_b71_a71_d71_i71 @atom:882_b71_a71_d71_i71 lj/cut/coul/long 0.000171 4.32
pair_coeff @atom:883_b72_a72_d72_i72 @atom:883_b72_a72_d72_i72 lj/cut/coul/long 8.1e-05 4.82
pair_coeff @atom:884_b73_a73_d73_i73 @atom:884_b73_a73_d73_i73 lj/cut/coul/long 0.875044 2.91
pair_coeff @atom:885_b74_a74_d74_i74 @atom:885_b74_a74_d74_i74 lj/cut/coul/long 0.449657 3.47
pair_coeff @atom:886_b75_a75_d75_i75 @atom:886_b75_a75_d75_i75 lj/cut/coul/long 0.118226 3.82
pair_coeff @atom:887_b76_a76_d76_i76 @atom:887_b76_a76_d76_i76 lj/cut/coul/long 0.047096 4.18
pair_coeff @atom:888_b13_a13_d13_i13 @atom:888_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:889_b13_a13_d13_i13 @atom:889_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:890_b13_a13_d13_i13 @atom:890_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:891_b13_a13_d13_i13 @atom:891_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
pair_coeff @atom:892_b46_a46_d46_i46 @atom:892_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.5
pair_coeff @atom:893_b53_a53_d53_i53 @atom:893_b53_a53_d53_i53 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:894_b48_a48_d48_i48 @atom:894_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:895_b53_a53_d53_i53 @atom:895_b53_a53_d53_i53 lj/cut/coul/long 0.17 3.25
pair_coeff @atom:896_b48_a48_d48_i48 @atom:896_b48_a48_d48_i48 lj/cut/coul/long 0.07 3.55
pair_coeff @atom:897_b109_a109_d109_i109 @atom:897_b109_a109_d109_i109 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:898_b109_a109_d109_i109 @atom:898_b109_a109_d109_i109 lj/cut/coul/long 0.076 3.55
pair_coeff @atom:899_b46_a46_d46_i46 @atom:899_b46_a46_d46_i46 lj/cut/coul/long 0.03 2.42
pair_coeff @atom:900_b47_a47_d47_i47 @atom:900_b47_a47_d47_i47 lj/cut/coul/long 0.086 3.3
pair_coeff @atom:901_b47_a47_d47_i47 @atom:901_b47_a47_d47_i47 lj/cut/coul/long 0.086 3.3
pair_coeff @atom:902_b47_a47_d47_i47 @atom:902_b47_a47_d47_i47 lj/cut/coul/long 0.086 3.3
pair_coeff @atom:903_b110_a110_d110_i110 @atom:903_b110_a110_d110_i110 lj/cut/coul/long 0.086 3.3
pair_coeff @atom:904_b110_a110_d110_i110 @atom:904_b110_a110_d110_i110 lj/cut/coul/long 0.086 3.3
pair_coeff @atom:905_b4_a4_d4_i4 @atom:905_b4_a4_d4_i4 lj/cut/coul/long 0.21 2.96
pair_coeff @atom:906_b13_a13_d13_i13 @atom:906_b13_a13_d13_i13 lj/cut/coul/long 0.066 3.5
} #(end of pair_coeffs)
# ------- Bonded Interactions: -------
# http://lammps.sandia.gov/doc/bond_harmonic.html
# Syntax:
# bond_coeff BondTypeName BondStyle parameters...
write_once("In Settings") {
bond_coeff @bond:1-2 harmonic 367.0 1.38
bond_coeff @bond:1-3 harmonic 420.0 1.357
bond_coeff @bond:1-13 harmonic 367.0 1.36
bond_coeff @bond:1-19 harmonic 450.0 1.279
bond_coeff @bond:1-25 harmonic 300.0 0.3
bond_coeff @bond:1-47 harmonic 420.0 1.34
bond_coeff @bond:1-48 harmonic 420.0 1.354
bond_coeff @bond:1-82 harmonic 420.0 1.354
bond_coeff @bond:1-83 harmonic 420.0 1.354
bond_coeff @bond:1-84 harmonic 420.0 1.354
bond_coeff @bond:1-87 harmonic 420.0 1.354
bond_coeff @bond:1-88 harmonic 420.0 1.354
bond_coeff @bond:1-108 harmonic 461.0 1.57
bond_coeff @bond:2-2 harmonic 260.0 1.526
bond_coeff @bond:2-3 harmonic 317.0 1.522
bond_coeff @bond:2-5 harmonic 386.0 1.425
bond_coeff @bond:2-6 harmonic 260.0 1.526
bond_coeff @bond:2-10 harmonic 260.0 1.526
bond_coeff @bond:2-11 harmonic 317.0 1.5
bond_coeff @bond:2-12 harmonic 317.0 1.51
bond_coeff @bond:2-13 harmonic 260.0 1.526
bond_coeff @bond:2-14 harmonic 317.0 1.5
bond_coeff @bond:2-15 harmonic 222.0 1.81
bond_coeff @bond:2-16 harmonic 222.0 1.81
bond_coeff @bond:2-20 harmonic 320.0 1.425
bond_coeff @bond:2-24 harmonic 337.0 1.449
bond_coeff @bond:2-44 harmonic 382.0 1.448
bond_coeff @bond:2-48 harmonic 317.0 1.51
bond_coeff @bond:2-51 harmonic 260.0 1.526
bond_coeff @bond:2-53 harmonic 367.0 1.471
bond_coeff @bond:2-55 harmonic 337.0 1.463
bond_coeff @bond:2-80 harmonic 317.0 1.495
bond_coeff @bond:3-3 harmonic 350.0 1.51
bond_coeff @bond:3-4 harmonic 570.0 1.229
bond_coeff @bond:3-5 harmonic 450.0 1.364
bond_coeff @bond:3-6 harmonic 317.0 1.522
bond_coeff @bond:3-10 harmonic 317.0 1.522
bond_coeff @bond:3-12 harmonic 469.0 1.4
bond_coeff @bond:3-13 harmonic 317.0 1.522
bond_coeff @bond:3-19 harmonic 400.0 1.444
bond_coeff @bond:3-20 harmonic 214.0 1.327
bond_coeff @bond:3-21 harmonic 300.0 1.79
bond_coeff @bond:3-24 harmonic 490.0 1.335
bond_coeff @bond:3-44 harmonic 317.0 1.522
bond_coeff @bond:3-46 harmonic 340.0 1.09
bond_coeff @bond:3-47 harmonic 410.0 1.444
bond_coeff @bond:3-48 harmonic 400.0 1.49
bond_coeff @bond:3-50 harmonic 385.0 1.46
bond_coeff @bond:3-52 harmonic 656.0 1.25
bond_coeff @bond:3-56 harmonic 457.0 1.358
bond_coeff @bond:3-57 harmonic 418.0 1.388
bond_coeff @bond:3-60 harmonic 447.0 1.419
bond_coeff @bond:3-65 harmonic 300.0 1.98
bond_coeff @bond:3-84 harmonic 400.0 1.49
bond_coeff @bond:3-86 harmonic 385.0 1.46
bond_coeff @bond:3-105 harmonic 424.0 1.383
bond_coeff @bond:3-107 harmonic 490.0 1.335
bond_coeff @bond:4-25 harmonic 553.0 0.3
bond_coeff @bond:4-64 harmonic 525.0 1.48
bond_coeff @bond:4-89 harmonic 570.0 1.229
bond_coeff @bond:4-110 harmonic 700.0 1.171
bond_coeff @bond:5-6 harmonic 386.0 1.425
bond_coeff @bond:5-7 harmonic 553.0 0.945
bond_coeff @bond:5-10 harmonic 386.0 1.425
bond_coeff @bond:5-13 harmonic 320.0 1.41
bond_coeff @bond:5-20 harmonic 250.0 1.47
bond_coeff @bond:5-24 harmonic 400.0 1.38
bond_coeff @bond:5-25 harmonic 340.0 0.3
bond_coeff @bond:5-44 harmonic 320.0 1.45
bond_coeff @bond:5-47 harmonic 450.0 1.37
bond_coeff @bond:5-48 harmonic 450.0 1.364
bond_coeff @bond:5-51 harmonic 320.0 1.38
bond_coeff @bond:5-64 harmonic 230.0 1.61
bond_coeff @bond:5-79 harmonic 450.0 1.67
bond_coeff @bond:5-106 harmonic 94.0 1.8
bond_coeff @bond:5-108 harmonic 374.0 1.64
bond_coeff @bond:6-6 harmonic 260.0 1.526
bond_coeff @bond:6-10 harmonic 260.0 1.526
bond_coeff @bond:6-11 harmonic 317.0 1.5
bond_coeff @bond:6-13 harmonic 260.0 1.526
bond_coeff @bond:6-14 harmonic 317.0 1.5
bond_coeff @bond:6-15 harmonic 222.0 1.81
bond_coeff @bond:6-16 harmonic 222.0 1.81
bond_coeff @bond:6-20 harmonic 320.0 1.425
bond_coeff @bond:6-24 harmonic 337.0 1.449
bond_coeff @bond:6-44 harmonic 382.0 1.448
bond_coeff @bond:6-47 harmonic 317.0 1.51
bond_coeff @bond:6-51 harmonic 260.0 1.526
bond_coeff @bond:6-53 harmonic 367.0 1.471
bond_coeff @bond:6-55 harmonic 337.0 1.463
bond_coeff @bond:6-79 harmonic 222.0 1.81
bond_coeff @bond:6-105 harmonic 337.0 1.475
bond_coeff @bond:7-20 harmonic 553.0 0.945
bond_coeff @bond:7-25 harmonic 340.0 0.1
bond_coeff @bond:9-9 harmonic 530.0 1.34
bond_coeff @bond:9-11 harmonic 530.0 1.34
bond_coeff @bond:9-14 harmonic 530.0 1.34
bond_coeff @bond:10-10 harmonic 260.0 1.526
bond_coeff @bond:10-11 harmonic 317.0 1.5
bond_coeff @bond:10-14 harmonic 317.0 1.5
bond_coeff @bond:10-20 harmonic 320.0 1.425
bond_coeff @bond:10-24 harmonic 337.0 1.449
bond_coeff @bond:10-44 harmonic 382.0 1.448
bond_coeff @bond:10-105 harmonic 337.0 1.475
bond_coeff @bond:11-11 harmonic 530.0 1.34
bond_coeff @bond:11-13 harmonic 317.0 1.5
bond_coeff @bond:11-14 harmonic 530.0 1.34
bond_coeff @bond:11-79 harmonic 222.0 1.76
bond_coeff @bond:12-12 harmonic 469.0 1.4
bond_coeff @bond:12-48 harmonic 469.0 1.4
bond_coeff @bond:12-60 harmonic 469.0 1.4
bond_coeff @bond:12-81 harmonic 469.0 1.4
bond_coeff @bond:13-13 harmonic 268.0 1.529
bond_coeff @bond:13-14 harmonic 317.0 1.5
bond_coeff @bond:13-15 harmonic 222.0 1.81
bond_coeff @bond:13-16 harmonic 222.0 1.81
bond_coeff @bond:13-18 harmonic 390.0 1.43
bond_coeff @bond:13-19 harmonic 390.0 1.47
bond_coeff @bond:13-20 harmonic 320.0 1.41
bond_coeff @bond:13-21 harmonic 245.0 1.781
bond_coeff @bond:13-22 harmonic 340.0 1.79
bond_coeff @bond:13-24 harmonic 337.0 1.449
bond_coeff @bond:13-25 harmonic 340.0 0.3
bond_coeff @bond:13-44 harmonic 382.0 1.448
bond_coeff @bond:13-46 harmonic 340.0 1.09
bond_coeff @bond:13-47 harmonic 317.0 1.51
bond_coeff @bond:13-48 harmonic 317.0 1.51
bond_coeff @bond:13-50 harmonic 317.0 1.51
bond_coeff @bond:13-51 harmonic 268.0 1.529
bond_coeff @bond:13-53 harmonic 367.0 1.471
bond_coeff @bond:13-55 harmonic 337.0 1.463
bond_coeff @bond:13-56 harmonic 337.0 1.449
bond_coeff @bond:13-57 harmonic 337.0 1.475
bond_coeff @bond:13-60 harmonic 317.0 1.51
bond_coeff @bond:13-64 harmonic 212.0 1.843
bond_coeff @bond:13-65 harmonic 245.0 1.945
bond_coeff @bond:13-66 harmonic 200.0 2.19
bond_coeff @bond:13-79 harmonic 340.0 1.77
bond_coeff @bond:13-80 harmonic 317.0 1.495
bond_coeff @bond:13-83 harmonic 317.0 1.504
bond_coeff @bond:13-84 harmonic 317.0 1.504
bond_coeff @bond:13-85 harmonic 317.0 1.504
bond_coeff @bond:13-87 harmonic 317.0 1.495
bond_coeff @bond:13-90 harmonic 337.0 1.449
bond_coeff @bond:13-91 harmonic 280.0 1.51
bond_coeff @bond:13-95 harmonic 532.8 1.46
bond_coeff @bond:13-101 harmonic 382.0 1.448
bond_coeff @bond:13-102 harmonic 375.0 1.49
bond_coeff @bond:13-104 harmonic 212.0 1.82
bond_coeff @bond:13-105 harmonic 337.0 1.475
bond_coeff @bond:13-107 harmonic 337.0 1.449
bond_coeff @bond:13-108 harmonic 187.0 1.86
bond_coeff @bond:13-109 harmonic 317.0 1.51
bond_coeff @bond:14-14 harmonic 530.0 1.34
bond_coeff @bond:15-17 harmonic 274.0 1.336
bond_coeff @bond:15-48 harmonic 250.0 1.74
bond_coeff @bond:16-16 harmonic 166.0 2.038
bond_coeff @bond:16-19 harmonic 300.0 1.685
bond_coeff @bond:16-24 harmonic 250.0 1.73
bond_coeff @bond:16-25 harmonic 340.0 0.5
bond_coeff @bond:16-47 harmonic 250.0 1.76
bond_coeff @bond:16-48 harmonic 250.0 1.76
bond_coeff @bond:16-61 harmonic 250.0 1.73
bond_coeff @bond:16-82 harmonic 250.0 1.76
bond_coeff @bond:16-84 harmonic 250.0 1.74
bond_coeff @bond:16-91 harmonic 222.0 1.81
bond_coeff @bond:16-108 harmonic 144.0 2.15
bond_coeff @bond:17-25 harmonic 340.0 0.1
bond_coeff @bond:18-18 harmonic 550.0 1.12
bond_coeff @bond:18-19 harmonic 650.0 1.157
bond_coeff @bond:18-48 harmonic 400.0 1.41
bond_coeff @bond:18-56 harmonic 550.0 1.24
bond_coeff @bond:19-19 harmonic 1150.0 1.21
bond_coeff @bond:19-21 harmonic 330.0 1.637
bond_coeff @bond:19-46 harmonic 420.0 1.08
bond_coeff @bond:19-47 harmonic 400.0 1.426
bond_coeff @bond:19-48 harmonic 400.0 1.451
bond_coeff @bond:19-50 harmonic 400.0 1.426
bond_coeff @bond:19-65 harmonic 330.0 1.784
bond_coeff @bond:19-88 harmonic 400.0 1.451
bond_coeff @bond:19-91 harmonic 400.0 1.451
bond_coeff @bond:20-20 harmonic 250.0 1.47
bond_coeff @bond:20-21 harmonic 200.0 1.69
bond_coeff @bond:20-24 harmonic 320.0 1.45
bond_coeff @bond:20-25 harmonic 340.0 0.3
bond_coeff @bond:20-44 harmonic 320.0 1.45
bond_coeff @bond:20-47 harmonic 450.0 1.37
bond_coeff @bond:20-48 harmonic 450.0 1.364
bond_coeff @bond:20-51 harmonic 320.0 1.38
bond_coeff @bond:20-60 harmonic 340.0 1.36
bond_coeff @bond:20-61 harmonic 462.0 1.399
bond_coeff @bond:20-64 harmonic 230.0 1.61
bond_coeff @bond:20-82 harmonic 462.0 1.357
bond_coeff @bond:20-84 harmonic 340.0 1.36
bond_coeff @bond:20-108 harmonic 374.0 1.64
bond_coeff @bond:21-25 harmonic 300.0 0.3
bond_coeff @bond:21-47 harmonic 300.0 1.725
bond_coeff @bond:21-48 harmonic 300.0 1.725
bond_coeff @bond:21-82 harmonic 300.0 1.725
bond_coeff @bond:21-83 harmonic 300.0 1.725
bond_coeff @bond:21-84 harmonic 300.0 1.725
bond_coeff @bond:21-87 harmonic 300.0 1.725
bond_coeff @bond:21-88 harmonic 300.0 1.725
bond_coeff @bond:21-108 harmonic 223.0 2.02
bond_coeff @bond:22-23 harmonic 700.0 1.53
bond_coeff @bond:22-25 harmonic 340.0 0.5
bond_coeff @bond:23-25 harmonic 340.0 0.3
bond_coeff @bond:23-79 harmonic 700.0 1.44
bond_coeff @bond:24-25 harmonic 367.0 0.3
bond_coeff @bond:24-45 harmonic 434.0 1.01
bond_coeff @bond:24-48 harmonic 427.0 1.381
bond_coeff @bond:24-59 harmonic 427.0 1.381
bond_coeff @bond:24-79 harmonic 434.0 1.67
bond_coeff @bond:24-84 harmonic 427.0 1.381
bond_coeff @bond:24-88 harmonic 427.0 1.381
bond_coeff @bond:24-91 harmonic 337.0 1.449
bond_coeff @bond:24-103 harmonic 500.0 1.27
bond_coeff @bond:24-106 harmonic 40.0 2.05
bond_coeff @bond:25-25 harmonic 340.0 0.3
bond_coeff @bond:25-44 harmonic 340.0 0.3
bond_coeff @bond:25-45 harmonic 340.0 0.1
bond_coeff @bond:25-46 harmonic 340.0 0.3
bond_coeff @bond:25-47 harmonic 340.0 0.3
bond_coeff @bond:25-48 harmonic 367.0 0.3
bond_coeff @bond:25-49 harmonic 340.0 0.3
bond_coeff @bond:25-53 harmonic 340.0 0.3
bond_coeff @bond:25-56 harmonic 367.0 0.3
bond_coeff @bond:25-61 harmonic 367.0 0.3
bond_coeff @bond:25-65 harmonic 300.0 0.3
bond_coeff @bond:25-103 harmonic 340.0 0.1
bond_coeff @bond:31-32 harmonic 600.0 0.9572
bond_coeff @bond:31-33 harmonic 900.0 0.15
bond_coeff @bond:31-106 harmonic 40.0 2.05
bond_coeff @bond:34-35 harmonic 529.6 0.9572
bond_coeff @bond:36-37 harmonic 600.0 0.9572
bond_coeff @bond:36-38 harmonic 900.0 0.175
bond_coeff @bond:39-40 harmonic 600.0 0.9572
bond_coeff @bond:39-41 harmonic 900.0 0.7
bond_coeff @bond:42-43 harmonic 600.0 1.0
bond_coeff @bond:44-44 harmonic 350.0 1.445
bond_coeff @bond:44-45 harmonic 434.0 1.01
bond_coeff @bond:44-48 harmonic 481.0 1.34
bond_coeff @bond:44-79 harmonic 340.0 1.77
bond_coeff @bond:44-91 harmonic 382.0 1.448
bond_coeff @bond:44-108 harmonic 266.0 1.74
bond_coeff @bond:45-53 harmonic 434.0 1.01
bond_coeff @bond:45-55 harmonic 434.0 1.01
bond_coeff @bond:45-56 harmonic 434.0 1.01
bond_coeff @bond:45-57 harmonic 434.0 1.01
bond_coeff @bond:45-101 harmonic 434.0 1.01
bond_coeff @bond:45-105 harmonic 434.0 1.01
bond_coeff @bond:45-108 harmonic 166.0 1.48
bond_coeff @bond:46-47 harmonic 340.0 1.08
bond_coeff @bond:46-50 harmonic 340.0 1.08
bond_coeff @bond:46-51 harmonic 340.0 1.09
bond_coeff @bond:46-80 harmonic 340.0 1.08
bond_coeff @bond:46-91 harmonic 340.0 1.088
bond_coeff @bond:46-95 harmonic 532.8 1.084
bond_coeff @bond:46-108 harmonic 166.0 1.48
bond_coeff @bond:46-109 harmonic 340.0 1.08
bond_coeff @bond:47-47 harmonic 549.0 1.34
bond_coeff @bond:47-48 harmonic 427.0 1.433
bond_coeff @bond:47-50 harmonic 549.0 1.34
bond_coeff @bond:47-57 harmonic 448.0 1.365
bond_coeff @bond:47-58 harmonic 367.0 1.08
bond_coeff @bond:47-65 harmonic 300.0 1.9
bond_coeff @bond:47-66 harmonic 250.0 2.08
bond_coeff @bond:47-86 harmonic 385.0 1.46
bond_coeff @bond:47-91 harmonic 317.0 1.51
bond_coeff @bond:47-105 harmonic 448.0 1.365
bond_coeff @bond:47-110 harmonic 700.0 1.305
bond_coeff @bond:48-48 harmonic 469.0 1.4
bond_coeff @bond:48-49 harmonic 367.0 1.08
bond_coeff @bond:48-50 harmonic 427.0 1.433
bond_coeff @bond:48-53 harmonic 400.0 1.45
bond_coeff @bond:48-55 harmonic 481.0 1.34
bond_coeff @bond:48-56 harmonic 483.0 1.339
bond_coeff @bond:48-57 harmonic 427.0 1.381
bond_coeff @bond:48-60 harmonic 469.0 1.404
bond_coeff @bond:48-61 harmonic 414.0 1.391
bond_coeff @bond:48-64 harmonic 220.0 1.78
bond_coeff @bond:48-65 harmonic 300.0 1.87
bond_coeff @bond:48-66 harmonic 250.0 2.08
bond_coeff @bond:48-79 harmonic 340.0 1.77
bond_coeff @bond:48-81 harmonic 469.0 1.4
bond_coeff @bond:48-84 harmonic 546.0 1.367
bond_coeff @bond:48-86 harmonic 469.0 1.4
bond_coeff @bond:48-88 harmonic 469.0 1.421
bond_coeff @bond:48-91 harmonic 317.0 1.49
bond_coeff @bond:48-101 harmonic 382.0 1.385
bond_coeff @bond:48-102 harmonic 400.0 1.46
bond_coeff @bond:48-109 harmonic 427.0 1.433
bond_coeff @bond:49-59 harmonic 367.0 1.08
bond_coeff @bond:49-62 harmonic 340.0 1.08
bond_coeff @bond:49-82 harmonic 367.0 1.08
bond_coeff @bond:49-83 harmonic 367.0 1.08
bond_coeff @bond:49-84 harmonic 367.0 1.08
bond_coeff @bond:49-85 harmonic 367.0 1.08
bond_coeff @bond:49-87 harmonic 367.0 1.08
bond_coeff @bond:49-88 harmonic 367.0 1.08
bond_coeff @bond:50-50 harmonic 385.0 1.46
bond_coeff @bond:50-56 harmonic 457.0 1.29
bond_coeff @bond:50-84 harmonic 549.0 1.365
bond_coeff @bond:50-109 harmonic 385.0 1.46
bond_coeff @bond:51-105 harmonic 337.0 1.475
bond_coeff @bond:52-64 harmonic 525.0 1.48
bond_coeff @bond:53-54 harmonic 434.0 1.01
bond_coeff @bond:54-55 harmonic 434.0 1.01
bond_coeff @bond:55-59 harmonic 481.0 1.34
bond_coeff @bond:55-82 harmonic 481.0 1.34
bond_coeff @bond:56-56 harmonic 500.0 1.32
bond_coeff @bond:56-59 harmonic 502.0 1.324
bond_coeff @bond:56-60 harmonic 461.0 1.354
bond_coeff @bond:56-82 harmonic 461.0 1.354
bond_coeff @bond:56-86 harmonic 483.0 1.339
bond_coeff @bond:56-103 harmonic 550.0 1.21
bond_coeff @bond:56-109 harmonic 457.0 1.29
bond_coeff @bond:57-60 harmonic 436.0 1.374
bond_coeff @bond:57-61 harmonic 400.0 1.349
bond_coeff @bond:57-62 harmonic 440.0 1.371
bond_coeff @bond:57-81 harmonic 428.0 1.38
bond_coeff @bond:57-82 harmonic 477.0 1.343
bond_coeff @bond:57-84 harmonic 427.0 1.381
bond_coeff @bond:57-85 harmonic 427.0 1.381
bond_coeff @bond:57-86 harmonic 385.0 1.44
bond_coeff @bond:58-83 harmonic 367.0 1.08
bond_coeff @bond:58-84 harmonic 367.0 1.08
bond_coeff @bond:59-63 harmonic 367.0 1.08
bond_coeff @bond:60-60 harmonic 520.0 1.37
bond_coeff @bond:60-61 harmonic 414.0 1.391
bond_coeff @bond:60-80 harmonic 388.0 1.459
bond_coeff @bond:60-81 harmonic 447.0 1.419
bond_coeff @bond:60-87 harmonic 469.0 1.424
bond_coeff @bond:60-105 harmonic 436.0 1.374
bond_coeff @bond:61-61 harmonic 400.0 1.28
bond_coeff @bond:61-62 harmonic 529.0 1.304
bond_coeff @bond:61-82 harmonic 488.0 1.335
bond_coeff @bond:61-83 harmonic 410.0 1.394
bond_coeff @bond:61-84 harmonic 410.0 1.394
bond_coeff @bond:61-88 harmonic 410.0 1.32
bond_coeff @bond:62-63 harmonic 367.0 1.08
bond_coeff @bond:62-105 harmonic 440.0 1.371
bond_coeff @bond:63-82 harmonic 367.0 1.08
bond_coeff @bond:64-108 harmonic 108.0 2.25
bond_coeff @bond:65-82 harmonic 300.0 1.87
bond_coeff @bond:65-83 harmonic 300.0 1.87
bond_coeff @bond:65-84 harmonic 300.0 1.87
bond_coeff @bond:65-87 harmonic 300.0 1.87
bond_coeff @bond:65-88 harmonic 300.0 1.87
bond_coeff @bond:65-108 harmonic 151.0 2.19
bond_coeff @bond:66-82 harmonic 250.0 2.08
bond_coeff @bond:66-83 harmonic 250.0 2.08
bond_coeff @bond:66-84 harmonic 250.0 2.08
bond_coeff @bond:66-87 harmonic 250.0 2.08
bond_coeff @bond:66-88 harmonic 250.0 2.08
bond_coeff @bond:66-108 harmonic 108.0 2.44
bond_coeff @bond:77-78 harmonic 500.0 1.8
bond_coeff @bond:80-84 harmonic 546.0 1.352
bond_coeff @bond:82-86 harmonic 385.0 1.46
bond_coeff @bond:82-87 harmonic 520.0 1.37
bond_coeff @bond:83-84 harmonic 520.0 1.37
bond_coeff @bond:83-86 harmonic 385.0 1.46
bond_coeff @bond:84-84 harmonic 512.0 1.375
bond_coeff @bond:84-86 harmonic 385.0 1.46
bond_coeff @bond:84-87 harmonic 546.0 1.367
bond_coeff @bond:84-88 harmonic 520.0 1.37
bond_coeff @bond:85-85 harmonic 520.0 1.37
bond_coeff @bond:86-86 harmonic 385.0 1.46
bond_coeff @bond:86-87 harmonic 385.0 1.46
bond_coeff @bond:86-88 harmonic 385.0 1.46
bond_coeff @bond:87-87 harmonic 469.0 1.424
bond_coeff @bond:87-88 harmonic 469.0 1.424
bond_coeff @bond:89-90 harmonic 490.0 1.335
bond_coeff @bond:89-91 harmonic 317.0 1.522
bond_coeff @bond:90-91 harmonic 337.0 1.449
bond_coeff @bond:91-91 harmonic 260.0 1.52
bond_coeff @bond:102-103 harmonic 550.0 1.225
bond_coeff @bond:108-108 harmonic 94.0 2.32
bond_coeff @bond:109-109 harmonic 549.0 1.345
} #(end of bond_coeffs)
# Rules for assigning bond types by atom type:
# BondTypeName AtomType1 AtomType2
# (* = wildcard)
write_once("Data Bonds By Type") {
@bond:1-2 @atom:*_b1_a*_d*_i* @atom:*_b2_a*_d*_i*
@bond:1-3 @atom:*_b1_a*_d*_i* @atom:*_b3_a*_d*_i*
@bond:1-13 @atom:*_b1_a*_d*_i* @atom:*_b13_a*_d*_i*
@bond:1-19 @atom:*_b1_a*_d*_i* @atom:*_b19_a*_d*_i*
@bond:1-25 @atom:*_b1_a*_d*_i* @atom:*_b25_a*_d*_i*
@bond:1-47 @atom:*_b1_a*_d*_i* @atom:*_b47_a*_d*_i*
@bond:1-48 @atom:*_b1_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:1-82 @atom:*_b1_a*_d*_i* @atom:*_b82_a*_d*_i*
@bond:1-83 @atom:*_b1_a*_d*_i* @atom:*_b83_a*_d*_i*
@bond:1-84 @atom:*_b1_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:1-87 @atom:*_b1_a*_d*_i* @atom:*_b87_a*_d*_i*
@bond:1-88 @atom:*_b1_a*_d*_i* @atom:*_b88_a*_d*_i*
@bond:1-108 @atom:*_b1_a*_d*_i* @atom:*_b108_a*_d*_i*
@bond:2-2 @atom:*_b2_a*_d*_i* @atom:*_b2_a*_d*_i*
@bond:2-3 @atom:*_b2_a*_d*_i* @atom:*_b3_a*_d*_i*
@bond:2-5 @atom:*_b2_a*_d*_i* @atom:*_b5_a*_d*_i*
@bond:2-6 @atom:*_b2_a*_d*_i* @atom:*_b6_a*_d*_i*
@bond:2-10 @atom:*_b2_a*_d*_i* @atom:*_b10_a*_d*_i*
@bond:2-11 @atom:*_b2_a*_d*_i* @atom:*_b11_a*_d*_i*
@bond:2-12 @atom:*_b2_a*_d*_i* @atom:*_b12_a*_d*_i*
@bond:2-13 @atom:*_b2_a*_d*_i* @atom:*_b13_a*_d*_i*
@bond:2-14 @atom:*_b2_a*_d*_i* @atom:*_b14_a*_d*_i*
@bond:2-15 @atom:*_b2_a*_d*_i* @atom:*_b15_a*_d*_i*
@bond:2-16 @atom:*_b2_a*_d*_i* @atom:*_b16_a*_d*_i*
@bond:2-20 @atom:*_b2_a*_d*_i* @atom:*_b20_a*_d*_i*
@bond:2-24 @atom:*_b2_a*_d*_i* @atom:*_b24_a*_d*_i*
@bond:2-44 @atom:*_b2_a*_d*_i* @atom:*_b44_a*_d*_i*
@bond:2-48 @atom:*_b2_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:2-51 @atom:*_b2_a*_d*_i* @atom:*_b51_a*_d*_i*
@bond:2-53 @atom:*_b2_a*_d*_i* @atom:*_b53_a*_d*_i*
@bond:2-55 @atom:*_b2_a*_d*_i* @atom:*_b55_a*_d*_i*
@bond:2-80 @atom:*_b2_a*_d*_i* @atom:*_b80_a*_d*_i*
@bond:3-3 @atom:*_b3_a*_d*_i* @atom:*_b3_a*_d*_i*
@bond:3-4 @atom:*_b3_a*_d*_i* @atom:*_b4_a*_d*_i*
@bond:3-5 @atom:*_b3_a*_d*_i* @atom:*_b5_a*_d*_i*
@bond:3-6 @atom:*_b3_a*_d*_i* @atom:*_b6_a*_d*_i*
@bond:3-10 @atom:*_b3_a*_d*_i* @atom:*_b10_a*_d*_i*
@bond:3-12 @atom:*_b3_a*_d*_i* @atom:*_b12_a*_d*_i*
@bond:3-13 @atom:*_b3_a*_d*_i* @atom:*_b13_a*_d*_i*
@bond:3-19 @atom:*_b3_a*_d*_i* @atom:*_b19_a*_d*_i*
@bond:3-20 @atom:*_b3_a*_d*_i* @atom:*_b20_a*_d*_i*
@bond:3-21 @atom:*_b3_a*_d*_i* @atom:*_b21_a*_d*_i*
@bond:3-24 @atom:*_b3_a*_d*_i* @atom:*_b24_a*_d*_i*
@bond:3-44 @atom:*_b3_a*_d*_i* @atom:*_b44_a*_d*_i*
@bond:3-46 @atom:*_b3_a*_d*_i* @atom:*_b46_a*_d*_i*
@bond:3-47 @atom:*_b3_a*_d*_i* @atom:*_b47_a*_d*_i*
@bond:3-48 @atom:*_b3_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:3-50 @atom:*_b3_a*_d*_i* @atom:*_b50_a*_d*_i*
@bond:3-52 @atom:*_b3_a*_d*_i* @atom:*_b52_a*_d*_i*
@bond:3-56 @atom:*_b3_a*_d*_i* @atom:*_b56_a*_d*_i*
@bond:3-57 @atom:*_b3_a*_d*_i* @atom:*_b57_a*_d*_i*
@bond:3-60 @atom:*_b3_a*_d*_i* @atom:*_b60_a*_d*_i*
@bond:3-65 @atom:*_b3_a*_d*_i* @atom:*_b65_a*_d*_i*
@bond:3-84 @atom:*_b3_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:3-86 @atom:*_b3_a*_d*_i* @atom:*_b86_a*_d*_i*
@bond:3-105 @atom:*_b3_a*_d*_i* @atom:*_b105_a*_d*_i*
@bond:3-107 @atom:*_b3_a*_d*_i* @atom:*_b107_a*_d*_i*
@bond:4-25 @atom:*_b4_a*_d*_i* @atom:*_b25_a*_d*_i*
@bond:4-64 @atom:*_b4_a*_d*_i* @atom:*_b64_a*_d*_i*
@bond:4-89 @atom:*_b4_a*_d*_i* @atom:*_b89_a*_d*_i*
@bond:4-110 @atom:*_b4_a*_d*_i* @atom:*_b110_a*_d*_i*
@bond:5-6 @atom:*_b5_a*_d*_i* @atom:*_b6_a*_d*_i*
@bond:5-7 @atom:*_b5_a*_d*_i* @atom:*_b7_a*_d*_i*
@bond:5-10 @atom:*_b5_a*_d*_i* @atom:*_b10_a*_d*_i*
@bond:5-13 @atom:*_b5_a*_d*_i* @atom:*_b13_a*_d*_i*
@bond:5-20 @atom:*_b5_a*_d*_i* @atom:*_b20_a*_d*_i*
@bond:5-24 @atom:*_b5_a*_d*_i* @atom:*_b24_a*_d*_i*
@bond:5-25 @atom:*_b5_a*_d*_i* @atom:*_b25_a*_d*_i*
@bond:5-44 @atom:*_b5_a*_d*_i* @atom:*_b44_a*_d*_i*
@bond:5-47 @atom:*_b5_a*_d*_i* @atom:*_b47_a*_d*_i*
@bond:5-48 @atom:*_b5_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:5-51 @atom:*_b5_a*_d*_i* @atom:*_b51_a*_d*_i*
@bond:5-64 @atom:*_b5_a*_d*_i* @atom:*_b64_a*_d*_i*
@bond:5-79 @atom:*_b5_a*_d*_i* @atom:*_b79_a*_d*_i*
@bond:5-106 @atom:*_b5_a*_d*_i* @atom:*_b106_a*_d*_i*
@bond:5-108 @atom:*_b5_a*_d*_i* @atom:*_b108_a*_d*_i*
@bond:6-6 @atom:*_b6_a*_d*_i* @atom:*_b6_a*_d*_i*
@bond:6-10 @atom:*_b6_a*_d*_i* @atom:*_b10_a*_d*_i*
@bond:6-11 @atom:*_b6_a*_d*_i* @atom:*_b11_a*_d*_i*
@bond:6-13 @atom:*_b6_a*_d*_i* @atom:*_b13_a*_d*_i*
@bond:6-14 @atom:*_b6_a*_d*_i* @atom:*_b14_a*_d*_i*
@bond:6-15 @atom:*_b6_a*_d*_i* @atom:*_b15_a*_d*_i*
@bond:6-16 @atom:*_b6_a*_d*_i* @atom:*_b16_a*_d*_i*
@bond:6-20 @atom:*_b6_a*_d*_i* @atom:*_b20_a*_d*_i*
@bond:6-24 @atom:*_b6_a*_d*_i* @atom:*_b24_a*_d*_i*
@bond:6-44 @atom:*_b6_a*_d*_i* @atom:*_b44_a*_d*_i*
@bond:6-47 @atom:*_b6_a*_d*_i* @atom:*_b47_a*_d*_i*
@bond:6-51 @atom:*_b6_a*_d*_i* @atom:*_b51_a*_d*_i*
@bond:6-53 @atom:*_b6_a*_d*_i* @atom:*_b53_a*_d*_i*
@bond:6-55 @atom:*_b6_a*_d*_i* @atom:*_b55_a*_d*_i*
@bond:6-79 @atom:*_b6_a*_d*_i* @atom:*_b79_a*_d*_i*
@bond:6-105 @atom:*_b6_a*_d*_i* @atom:*_b105_a*_d*_i*
@bond:7-20 @atom:*_b7_a*_d*_i* @atom:*_b20_a*_d*_i*
@bond:7-25 @atom:*_b7_a*_d*_i* @atom:*_b25_a*_d*_i*
@bond:9-9 @atom:*_b9_a*_d*_i* @atom:*_b9_a*_d*_i*
@bond:9-11 @atom:*_b9_a*_d*_i* @atom:*_b11_a*_d*_i*
@bond:9-14 @atom:*_b9_a*_d*_i* @atom:*_b14_a*_d*_i*
@bond:10-10 @atom:*_b10_a*_d*_i* @atom:*_b10_a*_d*_i*
@bond:10-11 @atom:*_b10_a*_d*_i* @atom:*_b11_a*_d*_i*
@bond:10-14 @atom:*_b10_a*_d*_i* @atom:*_b14_a*_d*_i*
@bond:10-20 @atom:*_b10_a*_d*_i* @atom:*_b20_a*_d*_i*
@bond:10-24 @atom:*_b10_a*_d*_i* @atom:*_b24_a*_d*_i*
@bond:10-44 @atom:*_b10_a*_d*_i* @atom:*_b44_a*_d*_i*
@bond:10-105 @atom:*_b10_a*_d*_i* @atom:*_b105_a*_d*_i*
@bond:11-11 @atom:*_b11_a*_d*_i* @atom:*_b11_a*_d*_i*
@bond:11-13 @atom:*_b11_a*_d*_i* @atom:*_b13_a*_d*_i*
@bond:11-14 @atom:*_b11_a*_d*_i* @atom:*_b14_a*_d*_i*
@bond:11-79 @atom:*_b11_a*_d*_i* @atom:*_b79_a*_d*_i*
@bond:12-12 @atom:*_b12_a*_d*_i* @atom:*_b12_a*_d*_i*
@bond:12-48 @atom:*_b12_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:12-60 @atom:*_b12_a*_d*_i* @atom:*_b60_a*_d*_i*
@bond:12-81 @atom:*_b12_a*_d*_i* @atom:*_b81_a*_d*_i*
@bond:13-13 @atom:*_b13_a*_d*_i* @atom:*_b13_a*_d*_i*
@bond:13-14 @atom:*_b13_a*_d*_i* @atom:*_b14_a*_d*_i*
@bond:13-15 @atom:*_b13_a*_d*_i* @atom:*_b15_a*_d*_i*
@bond:13-16 @atom:*_b13_a*_d*_i* @atom:*_b16_a*_d*_i*
@bond:13-18 @atom:*_b13_a*_d*_i* @atom:*_b18_a*_d*_i*
@bond:13-19 @atom:*_b13_a*_d*_i* @atom:*_b19_a*_d*_i*
@bond:13-20 @atom:*_b13_a*_d*_i* @atom:*_b20_a*_d*_i*
@bond:13-21 @atom:*_b13_a*_d*_i* @atom:*_b21_a*_d*_i*
@bond:13-22 @atom:*_b13_a*_d*_i* @atom:*_b22_a*_d*_i*
@bond:13-24 @atom:*_b13_a*_d*_i* @atom:*_b24_a*_d*_i*
@bond:13-25 @atom:*_b13_a*_d*_i* @atom:*_b25_a*_d*_i*
@bond:13-44 @atom:*_b13_a*_d*_i* @atom:*_b44_a*_d*_i*
@bond:13-46 @atom:*_b13_a*_d*_i* @atom:*_b46_a*_d*_i*
@bond:13-47 @atom:*_b13_a*_d*_i* @atom:*_b47_a*_d*_i*
@bond:13-48 @atom:*_b13_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:13-50 @atom:*_b13_a*_d*_i* @atom:*_b50_a*_d*_i*
@bond:13-51 @atom:*_b13_a*_d*_i* @atom:*_b51_a*_d*_i*
@bond:13-53 @atom:*_b13_a*_d*_i* @atom:*_b53_a*_d*_i*
@bond:13-55 @atom:*_b13_a*_d*_i* @atom:*_b55_a*_d*_i*
@bond:13-56 @atom:*_b13_a*_d*_i* @atom:*_b56_a*_d*_i*
@bond:13-57 @atom:*_b13_a*_d*_i* @atom:*_b57_a*_d*_i*
@bond:13-60 @atom:*_b13_a*_d*_i* @atom:*_b60_a*_d*_i*
@bond:13-64 @atom:*_b13_a*_d*_i* @atom:*_b64_a*_d*_i*
@bond:13-65 @atom:*_b13_a*_d*_i* @atom:*_b65_a*_d*_i*
@bond:13-66 @atom:*_b13_a*_d*_i* @atom:*_b66_a*_d*_i*
@bond:13-79 @atom:*_b13_a*_d*_i* @atom:*_b79_a*_d*_i*
@bond:13-80 @atom:*_b13_a*_d*_i* @atom:*_b80_a*_d*_i*
@bond:13-83 @atom:*_b13_a*_d*_i* @atom:*_b83_a*_d*_i*
@bond:13-84 @atom:*_b13_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:13-85 @atom:*_b13_a*_d*_i* @atom:*_b85_a*_d*_i*
@bond:13-87 @atom:*_b13_a*_d*_i* @atom:*_b87_a*_d*_i*
@bond:13-90 @atom:*_b13_a*_d*_i* @atom:*_b90_a*_d*_i*
@bond:13-91 @atom:*_b13_a*_d*_i* @atom:*_b91_a*_d*_i*
@bond:13-95 @atom:*_b13_a*_d*_i* @atom:*_b95_a*_d*_i*
@bond:13-101 @atom:*_b13_a*_d*_i* @atom:*_b101_a*_d*_i*
@bond:13-102 @atom:*_b13_a*_d*_i* @atom:*_b102_a*_d*_i*
@bond:13-104 @atom:*_b13_a*_d*_i* @atom:*_b104_a*_d*_i*
@bond:13-105 @atom:*_b13_a*_d*_i* @atom:*_b105_a*_d*_i*
@bond:13-107 @atom:*_b13_a*_d*_i* @atom:*_b107_a*_d*_i*
@bond:13-108 @atom:*_b13_a*_d*_i* @atom:*_b108_a*_d*_i*
@bond:13-109 @atom:*_b13_a*_d*_i* @atom:*_b109_a*_d*_i*
@bond:14-14 @atom:*_b14_a*_d*_i* @atom:*_b14_a*_d*_i*
@bond:15-17 @atom:*_b15_a*_d*_i* @atom:*_b17_a*_d*_i*
@bond:15-48 @atom:*_b15_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:16-16 @atom:*_b16_a*_d*_i* @atom:*_b16_a*_d*_i*
@bond:16-19 @atom:*_b16_a*_d*_i* @atom:*_b19_a*_d*_i*
@bond:16-24 @atom:*_b16_a*_d*_i* @atom:*_b24_a*_d*_i*
@bond:16-25 @atom:*_b16_a*_d*_i* @atom:*_b25_a*_d*_i*
@bond:16-47 @atom:*_b16_a*_d*_i* @atom:*_b47_a*_d*_i*
@bond:16-48 @atom:*_b16_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:16-61 @atom:*_b16_a*_d*_i* @atom:*_b61_a*_d*_i*
@bond:16-82 @atom:*_b16_a*_d*_i* @atom:*_b82_a*_d*_i*
@bond:16-84 @atom:*_b16_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:16-91 @atom:*_b16_a*_d*_i* @atom:*_b91_a*_d*_i*
@bond:16-108 @atom:*_b16_a*_d*_i* @atom:*_b108_a*_d*_i*
@bond:17-25 @atom:*_b17_a*_d*_i* @atom:*_b25_a*_d*_i*
@bond:18-18 @atom:*_b18_a*_d*_i* @atom:*_b18_a*_d*_i*
@bond:18-19 @atom:*_b18_a*_d*_i* @atom:*_b19_a*_d*_i*
@bond:18-48 @atom:*_b18_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:18-56 @atom:*_b18_a*_d*_i* @atom:*_b56_a*_d*_i*
@bond:19-19 @atom:*_b19_a*_d*_i* @atom:*_b19_a*_d*_i*
@bond:19-21 @atom:*_b19_a*_d*_i* @atom:*_b21_a*_d*_i*
@bond:19-46 @atom:*_b19_a*_d*_i* @atom:*_b46_a*_d*_i*
@bond:19-47 @atom:*_b19_a*_d*_i* @atom:*_b47_a*_d*_i*
@bond:19-48 @atom:*_b19_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:19-50 @atom:*_b19_a*_d*_i* @atom:*_b50_a*_d*_i*
@bond:19-65 @atom:*_b19_a*_d*_i* @atom:*_b65_a*_d*_i*
@bond:19-88 @atom:*_b19_a*_d*_i* @atom:*_b88_a*_d*_i*
@bond:19-91 @atom:*_b19_a*_d*_i* @atom:*_b91_a*_d*_i*
@bond:20-20 @atom:*_b20_a*_d*_i* @atom:*_b20_a*_d*_i*
@bond:20-21 @atom:*_b20_a*_d*_i* @atom:*_b21_a*_d*_i*
@bond:20-24 @atom:*_b20_a*_d*_i* @atom:*_b24_a*_d*_i*
@bond:20-25 @atom:*_b20_a*_d*_i* @atom:*_b25_a*_d*_i*
@bond:20-44 @atom:*_b20_a*_d*_i* @atom:*_b44_a*_d*_i*
@bond:20-47 @atom:*_b20_a*_d*_i* @atom:*_b47_a*_d*_i*
@bond:20-48 @atom:*_b20_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:20-51 @atom:*_b20_a*_d*_i* @atom:*_b51_a*_d*_i*
@bond:20-60 @atom:*_b20_a*_d*_i* @atom:*_b60_a*_d*_i*
@bond:20-61 @atom:*_b20_a*_d*_i* @atom:*_b61_a*_d*_i*
@bond:20-64 @atom:*_b20_a*_d*_i* @atom:*_b64_a*_d*_i*
@bond:20-82 @atom:*_b20_a*_d*_i* @atom:*_b82_a*_d*_i*
@bond:20-84 @atom:*_b20_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:20-108 @atom:*_b20_a*_d*_i* @atom:*_b108_a*_d*_i*
@bond:21-25 @atom:*_b21_a*_d*_i* @atom:*_b25_a*_d*_i*
@bond:21-47 @atom:*_b21_a*_d*_i* @atom:*_b47_a*_d*_i*
@bond:21-48 @atom:*_b21_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:21-82 @atom:*_b21_a*_d*_i* @atom:*_b82_a*_d*_i*
@bond:21-83 @atom:*_b21_a*_d*_i* @atom:*_b83_a*_d*_i*
@bond:21-84 @atom:*_b21_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:21-87 @atom:*_b21_a*_d*_i* @atom:*_b87_a*_d*_i*
@bond:21-88 @atom:*_b21_a*_d*_i* @atom:*_b88_a*_d*_i*
@bond:21-108 @atom:*_b21_a*_d*_i* @atom:*_b108_a*_d*_i*
@bond:22-23 @atom:*_b22_a*_d*_i* @atom:*_b23_a*_d*_i*
@bond:22-25 @atom:*_b22_a*_d*_i* @atom:*_b25_a*_d*_i*
@bond:23-25 @atom:*_b23_a*_d*_i* @atom:*_b25_a*_d*_i*
@bond:23-79 @atom:*_b23_a*_d*_i* @atom:*_b79_a*_d*_i*
@bond:24-25 @atom:*_b24_a*_d*_i* @atom:*_b25_a*_d*_i*
@bond:24-45 @atom:*_b24_a*_d*_i* @atom:*_b45_a*_d*_i*
@bond:24-48 @atom:*_b24_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:24-59 @atom:*_b24_a*_d*_i* @atom:*_b59_a*_d*_i*
@bond:24-79 @atom:*_b24_a*_d*_i* @atom:*_b79_a*_d*_i*
@bond:24-84 @atom:*_b24_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:24-88 @atom:*_b24_a*_d*_i* @atom:*_b88_a*_d*_i*
@bond:24-91 @atom:*_b24_a*_d*_i* @atom:*_b91_a*_d*_i*
@bond:24-103 @atom:*_b24_a*_d*_i* @atom:*_b103_a*_d*_i*
@bond:24-106 @atom:*_b24_a*_d*_i* @atom:*_b106_a*_d*_i*
@bond:25-25 @atom:*_b25_a*_d*_i* @atom:*_b25_a*_d*_i*
@bond:25-44 @atom:*_b25_a*_d*_i* @atom:*_b44_a*_d*_i*
@bond:25-45 @atom:*_b25_a*_d*_i* @atom:*_b45_a*_d*_i*
@bond:25-46 @atom:*_b25_a*_d*_i* @atom:*_b46_a*_d*_i*
@bond:25-47 @atom:*_b25_a*_d*_i* @atom:*_b47_a*_d*_i*
@bond:25-48 @atom:*_b25_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:25-49 @atom:*_b25_a*_d*_i* @atom:*_b49_a*_d*_i*
@bond:25-53 @atom:*_b25_a*_d*_i* @atom:*_b53_a*_d*_i*
@bond:25-56 @atom:*_b25_a*_d*_i* @atom:*_b56_a*_d*_i*
@bond:25-61 @atom:*_b25_a*_d*_i* @atom:*_b61_a*_d*_i*
@bond:25-65 @atom:*_b25_a*_d*_i* @atom:*_b65_a*_d*_i*
@bond:25-103 @atom:*_b25_a*_d*_i* @atom:*_b103_a*_d*_i*
@bond:31-32 @atom:*_b31_a*_d*_i* @atom:*_b32_a*_d*_i*
@bond:31-33 @atom:*_b31_a*_d*_i* @atom:*_b33_a*_d*_i*
@bond:31-106 @atom:*_b31_a*_d*_i* @atom:*_b106_a*_d*_i*
@bond:34-35 @atom:*_b34_a*_d*_i* @atom:*_b35_a*_d*_i*
@bond:36-37 @atom:*_b36_a*_d*_i* @atom:*_b37_a*_d*_i*
@bond:36-38 @atom:*_b36_a*_d*_i* @atom:*_b38_a*_d*_i*
@bond:39-40 @atom:*_b39_a*_d*_i* @atom:*_b40_a*_d*_i*
@bond:39-41 @atom:*_b39_a*_d*_i* @atom:*_b41_a*_d*_i*
@bond:42-43 @atom:*_b42_a*_d*_i* @atom:*_b43_a*_d*_i*
@bond:44-44 @atom:*_b44_a*_d*_i* @atom:*_b44_a*_d*_i*
@bond:44-45 @atom:*_b44_a*_d*_i* @atom:*_b45_a*_d*_i*
@bond:44-48 @atom:*_b44_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:44-79 @atom:*_b44_a*_d*_i* @atom:*_b79_a*_d*_i*
@bond:44-91 @atom:*_b44_a*_d*_i* @atom:*_b91_a*_d*_i*
@bond:44-108 @atom:*_b44_a*_d*_i* @atom:*_b108_a*_d*_i*
@bond:45-53 @atom:*_b45_a*_d*_i* @atom:*_b53_a*_d*_i*
@bond:45-55 @atom:*_b45_a*_d*_i* @atom:*_b55_a*_d*_i*
@bond:45-56 @atom:*_b45_a*_d*_i* @atom:*_b56_a*_d*_i*
@bond:45-57 @atom:*_b45_a*_d*_i* @atom:*_b57_a*_d*_i*
@bond:45-101 @atom:*_b45_a*_d*_i* @atom:*_b101_a*_d*_i*
@bond:45-105 @atom:*_b45_a*_d*_i* @atom:*_b105_a*_d*_i*
@bond:45-108 @atom:*_b45_a*_d*_i* @atom:*_b108_a*_d*_i*
@bond:46-47 @atom:*_b46_a*_d*_i* @atom:*_b47_a*_d*_i*
@bond:46-50 @atom:*_b46_a*_d*_i* @atom:*_b50_a*_d*_i*
@bond:46-51 @atom:*_b46_a*_d*_i* @atom:*_b51_a*_d*_i*
@bond:46-80 @atom:*_b46_a*_d*_i* @atom:*_b80_a*_d*_i*
@bond:46-91 @atom:*_b46_a*_d*_i* @atom:*_b91_a*_d*_i*
@bond:46-95 @atom:*_b46_a*_d*_i* @atom:*_b95_a*_d*_i*
@bond:46-108 @atom:*_b46_a*_d*_i* @atom:*_b108_a*_d*_i*
@bond:46-109 @atom:*_b46_a*_d*_i* @atom:*_b109_a*_d*_i*
@bond:47-47 @atom:*_b47_a*_d*_i* @atom:*_b47_a*_d*_i*
@bond:47-48 @atom:*_b47_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:47-50 @atom:*_b47_a*_d*_i* @atom:*_b50_a*_d*_i*
@bond:47-57 @atom:*_b47_a*_d*_i* @atom:*_b57_a*_d*_i*
@bond:47-58 @atom:*_b47_a*_d*_i* @atom:*_b58_a*_d*_i*
@bond:47-65 @atom:*_b47_a*_d*_i* @atom:*_b65_a*_d*_i*
@bond:47-66 @atom:*_b47_a*_d*_i* @atom:*_b66_a*_d*_i*
@bond:47-86 @atom:*_b47_a*_d*_i* @atom:*_b86_a*_d*_i*
@bond:47-91 @atom:*_b47_a*_d*_i* @atom:*_b91_a*_d*_i*
@bond:47-105 @atom:*_b47_a*_d*_i* @atom:*_b105_a*_d*_i*
@bond:47-110 @atom:*_b47_a*_d*_i* @atom:*_b110_a*_d*_i*
@bond:48-48 @atom:*_b48_a*_d*_i* @atom:*_b48_a*_d*_i*
@bond:48-49 @atom:*_b48_a*_d*_i* @atom:*_b49_a*_d*_i*
@bond:48-50 @atom:*_b48_a*_d*_i* @atom:*_b50_a*_d*_i*
@bond:48-53 @atom:*_b48_a*_d*_i* @atom:*_b53_a*_d*_i*
@bond:48-55 @atom:*_b48_a*_d*_i* @atom:*_b55_a*_d*_i*
@bond:48-56 @atom:*_b48_a*_d*_i* @atom:*_b56_a*_d*_i*
@bond:48-57 @atom:*_b48_a*_d*_i* @atom:*_b57_a*_d*_i*
@bond:48-60 @atom:*_b48_a*_d*_i* @atom:*_b60_a*_d*_i*
@bond:48-61 @atom:*_b48_a*_d*_i* @atom:*_b61_a*_d*_i*
@bond:48-64 @atom:*_b48_a*_d*_i* @atom:*_b64_a*_d*_i*
@bond:48-65 @atom:*_b48_a*_d*_i* @atom:*_b65_a*_d*_i*
@bond:48-66 @atom:*_b48_a*_d*_i* @atom:*_b66_a*_d*_i*
@bond:48-79 @atom:*_b48_a*_d*_i* @atom:*_b79_a*_d*_i*
@bond:48-81 @atom:*_b48_a*_d*_i* @atom:*_b81_a*_d*_i*
@bond:48-84 @atom:*_b48_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:48-86 @atom:*_b48_a*_d*_i* @atom:*_b86_a*_d*_i*
@bond:48-88 @atom:*_b48_a*_d*_i* @atom:*_b88_a*_d*_i*
@bond:48-91 @atom:*_b48_a*_d*_i* @atom:*_b91_a*_d*_i*
@bond:48-101 @atom:*_b48_a*_d*_i* @atom:*_b101_a*_d*_i*
@bond:48-102 @atom:*_b48_a*_d*_i* @atom:*_b102_a*_d*_i*
@bond:48-109 @atom:*_b48_a*_d*_i* @atom:*_b109_a*_d*_i*
@bond:49-59 @atom:*_b49_a*_d*_i* @atom:*_b59_a*_d*_i*
@bond:49-62 @atom:*_b49_a*_d*_i* @atom:*_b62_a*_d*_i*
@bond:49-82 @atom:*_b49_a*_d*_i* @atom:*_b82_a*_d*_i*
@bond:49-83 @atom:*_b49_a*_d*_i* @atom:*_b83_a*_d*_i*
@bond:49-84 @atom:*_b49_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:49-85 @atom:*_b49_a*_d*_i* @atom:*_b85_a*_d*_i*
@bond:49-87 @atom:*_b49_a*_d*_i* @atom:*_b87_a*_d*_i*
@bond:49-88 @atom:*_b49_a*_d*_i* @atom:*_b88_a*_d*_i*
@bond:50-50 @atom:*_b50_a*_d*_i* @atom:*_b50_a*_d*_i*
@bond:50-56 @atom:*_b50_a*_d*_i* @atom:*_b56_a*_d*_i*
@bond:50-84 @atom:*_b50_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:50-109 @atom:*_b50_a*_d*_i* @atom:*_b109_a*_d*_i*
@bond:51-105 @atom:*_b51_a*_d*_i* @atom:*_b105_a*_d*_i*
@bond:52-64 @atom:*_b52_a*_d*_i* @atom:*_b64_a*_d*_i*
@bond:53-54 @atom:*_b53_a*_d*_i* @atom:*_b54_a*_d*_i*
@bond:54-55 @atom:*_b54_a*_d*_i* @atom:*_b55_a*_d*_i*
@bond:55-59 @atom:*_b55_a*_d*_i* @atom:*_b59_a*_d*_i*
@bond:55-82 @atom:*_b55_a*_d*_i* @atom:*_b82_a*_d*_i*
@bond:56-56 @atom:*_b56_a*_d*_i* @atom:*_b56_a*_d*_i*
@bond:56-59 @atom:*_b56_a*_d*_i* @atom:*_b59_a*_d*_i*
@bond:56-60 @atom:*_b56_a*_d*_i* @atom:*_b60_a*_d*_i*
@bond:56-82 @atom:*_b56_a*_d*_i* @atom:*_b82_a*_d*_i*
@bond:56-86 @atom:*_b56_a*_d*_i* @atom:*_b86_a*_d*_i*
@bond:56-103 @atom:*_b56_a*_d*_i* @atom:*_b103_a*_d*_i*
@bond:56-109 @atom:*_b56_a*_d*_i* @atom:*_b109_a*_d*_i*
@bond:57-60 @atom:*_b57_a*_d*_i* @atom:*_b60_a*_d*_i*
@bond:57-61 @atom:*_b57_a*_d*_i* @atom:*_b61_a*_d*_i*
@bond:57-62 @atom:*_b57_a*_d*_i* @atom:*_b62_a*_d*_i*
@bond:57-81 @atom:*_b57_a*_d*_i* @atom:*_b81_a*_d*_i*
@bond:57-82 @atom:*_b57_a*_d*_i* @atom:*_b82_a*_d*_i*
@bond:57-84 @atom:*_b57_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:57-85 @atom:*_b57_a*_d*_i* @atom:*_b85_a*_d*_i*
@bond:57-86 @atom:*_b57_a*_d*_i* @atom:*_b86_a*_d*_i*
@bond:58-83 @atom:*_b58_a*_d*_i* @atom:*_b83_a*_d*_i*
@bond:58-84 @atom:*_b58_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:59-63 @atom:*_b59_a*_d*_i* @atom:*_b63_a*_d*_i*
@bond:60-60 @atom:*_b60_a*_d*_i* @atom:*_b60_a*_d*_i*
@bond:60-61 @atom:*_b60_a*_d*_i* @atom:*_b61_a*_d*_i*
@bond:60-80 @atom:*_b60_a*_d*_i* @atom:*_b80_a*_d*_i*
@bond:60-81 @atom:*_b60_a*_d*_i* @atom:*_b81_a*_d*_i*
@bond:60-87 @atom:*_b60_a*_d*_i* @atom:*_b87_a*_d*_i*
@bond:60-105 @atom:*_b60_a*_d*_i* @atom:*_b105_a*_d*_i*
@bond:61-61 @atom:*_b61_a*_d*_i* @atom:*_b61_a*_d*_i*
@bond:61-62 @atom:*_b61_a*_d*_i* @atom:*_b62_a*_d*_i*
@bond:61-82 @atom:*_b61_a*_d*_i* @atom:*_b82_a*_d*_i*
@bond:61-83 @atom:*_b61_a*_d*_i* @atom:*_b83_a*_d*_i*
@bond:61-84 @atom:*_b61_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:61-88 @atom:*_b61_a*_d*_i* @atom:*_b88_a*_d*_i*
@bond:62-63 @atom:*_b62_a*_d*_i* @atom:*_b63_a*_d*_i*
@bond:62-105 @atom:*_b62_a*_d*_i* @atom:*_b105_a*_d*_i*
@bond:63-82 @atom:*_b63_a*_d*_i* @atom:*_b82_a*_d*_i*
@bond:64-108 @atom:*_b64_a*_d*_i* @atom:*_b108_a*_d*_i*
@bond:65-82 @atom:*_b65_a*_d*_i* @atom:*_b82_a*_d*_i*
@bond:65-83 @atom:*_b65_a*_d*_i* @atom:*_b83_a*_d*_i*
@bond:65-84 @atom:*_b65_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:65-87 @atom:*_b65_a*_d*_i* @atom:*_b87_a*_d*_i*
@bond:65-88 @atom:*_b65_a*_d*_i* @atom:*_b88_a*_d*_i*
@bond:65-108 @atom:*_b65_a*_d*_i* @atom:*_b108_a*_d*_i*
@bond:66-82 @atom:*_b66_a*_d*_i* @atom:*_b82_a*_d*_i*
@bond:66-83 @atom:*_b66_a*_d*_i* @atom:*_b83_a*_d*_i*
@bond:66-84 @atom:*_b66_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:66-87 @atom:*_b66_a*_d*_i* @atom:*_b87_a*_d*_i*
@bond:66-88 @atom:*_b66_a*_d*_i* @atom:*_b88_a*_d*_i*
@bond:66-108 @atom:*_b66_a*_d*_i* @atom:*_b108_a*_d*_i*
@bond:77-78 @atom:*_b77_a*_d*_i* @atom:*_b78_a*_d*_i*
@bond:80-84 @atom:*_b80_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:82-86 @atom:*_b82_a*_d*_i* @atom:*_b86_a*_d*_i*
@bond:82-87 @atom:*_b82_a*_d*_i* @atom:*_b87_a*_d*_i*
@bond:83-84 @atom:*_b83_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:83-86 @atom:*_b83_a*_d*_i* @atom:*_b86_a*_d*_i*
@bond:84-84 @atom:*_b84_a*_d*_i* @atom:*_b84_a*_d*_i*
@bond:84-86 @atom:*_b84_a*_d*_i* @atom:*_b86_a*_d*_i*
@bond:84-87 @atom:*_b84_a*_d*_i* @atom:*_b87_a*_d*_i*
@bond:84-88 @atom:*_b84_a*_d*_i* @atom:*_b88_a*_d*_i*
@bond:85-85 @atom:*_b85_a*_d*_i* @atom:*_b85_a*_d*_i*
@bond:86-86 @atom:*_b86_a*_d*_i* @atom:*_b86_a*_d*_i*
@bond:86-87 @atom:*_b86_a*_d*_i* @atom:*_b87_a*_d*_i*
@bond:86-88 @atom:*_b86_a*_d*_i* @atom:*_b88_a*_d*_i*
@bond:87-87 @atom:*_b87_a*_d*_i* @atom:*_b87_a*_d*_i*
@bond:87-88 @atom:*_b87_a*_d*_i* @atom:*_b88_a*_d*_i*
@bond:89-90 @atom:*_b89_a*_d*_i* @atom:*_b90_a*_d*_i*
@bond:89-91 @atom:*_b89_a*_d*_i* @atom:*_b91_a*_d*_i*
@bond:90-91 @atom:*_b90_a*_d*_i* @atom:*_b91_a*_d*_i*
@bond:91-91 @atom:*_b91_a*_d*_i* @atom:*_b91_a*_d*_i*
@bond:102-103 @atom:*_b102_a*_d*_i* @atom:*_b103_a*_d*_i*
@bond:108-108 @atom:*_b108_a*_d*_i* @atom:*_b108_a*_d*_i*
@bond:109-109 @atom:*_b109_a*_d*_i* @atom:*_b109_a*_d*_i*
} #(end of bonds by type)
# ------- Angle Interactions: -------
# http://lammps.sandia.gov/doc/angle_harmonic.html
# Syntax:
# angle_coeff AngleTypeName AngleStyle parameters...
write_once("In Settings") {
angle_coeff @angle:25-1-25 harmonic 33.0 109.47
angle_coeff @angle:1-2-2 harmonic 50.0 109.5
angle_coeff @angle:2-2-2 harmonic 63.0 112.4
angle_coeff @angle:2-2-3 harmonic 63.0 112.4
angle_coeff @angle:2-2-5 harmonic 80.0 109.5
angle_coeff @angle:2-2-6 harmonic 63.0 112.4
angle_coeff @angle:6-2-6 harmonic 63.0 112.4
angle_coeff @angle:5-2-6 harmonic 80.0 109.5
angle_coeff @angle:2-2-10 harmonic 63.0 112.4
angle_coeff @angle:3-2-10 harmonic 63.0 112.4
angle_coeff @angle:6-2-10 harmonic 63.0 112.4
angle_coeff @angle:10-2-10 harmonic 63.0 112.4
angle_coeff @angle:5-2-10 harmonic 80.0 109.5
angle_coeff @angle:10-2-12 harmonic 63.0 114.0
angle_coeff @angle:6-2-13 harmonic 63.0 112.4
angle_coeff @angle:10-2-15 harmonic 50.0 108.6
angle_coeff @angle:2-2-16 harmonic 50.0 114.7
angle_coeff @angle:10-2-16 harmonic 50.0 114.7
angle_coeff @angle:2-2-20 harmonic 80.0 109.5
angle_coeff @angle:6-2-20 harmonic 80.0 109.5
angle_coeff @angle:10-2-20 harmonic 80.0 109.5
angle_coeff @angle:3-2-24 harmonic 80.0 110.3
angle_coeff @angle:2-2-24 harmonic 80.0 111.2
angle_coeff @angle:2-2-44 harmonic 56.2 109.47
angle_coeff @angle:6-2-44 harmonic 56.2 109.47
angle_coeff @angle:10-2-44 harmonic 56.2 109.47
angle_coeff @angle:13-2-44 harmonic 56.2 109.47
angle_coeff @angle:3-2-44 harmonic 80.0 111.2
angle_coeff @angle:2-2-48 harmonic 63.0 112.4
angle_coeff @angle:10-2-48 harmonic 63.0 114.0
angle_coeff @angle:2-2-51 harmonic 63.0 112.4
angle_coeff @angle:6-2-51 harmonic 63.0 112.4
angle_coeff @angle:2-2-53 harmonic 80.0 111.2
angle_coeff @angle:2-2-55 harmonic 80.0 111.2
angle_coeff @angle:10-2-80 harmonic 63.0 115.6
angle_coeff @angle:2-3-4 harmonic 80.0 120.4
angle_coeff @angle:1-3-4 harmonic 80.0 121.0
angle_coeff @angle:3-3-4 harmonic 80.0 121.4
angle_coeff @angle:4-3-4 harmonic 80.0 126.0
angle_coeff @angle:4-3-5 harmonic 80.0 121.0
angle_coeff @angle:4-3-6 harmonic 80.0 120.4
angle_coeff @angle:5-3-10 harmonic 70.0 115.0
angle_coeff @angle:4-3-10 harmonic 80.0 120.4
angle_coeff @angle:5-3-12 harmonic 70.0 120.0
angle_coeff @angle:12-3-12 harmonic 85.0 120.0
angle_coeff @angle:5-3-13 harmonic 70.0 108.0
angle_coeff @angle:13-3-13 harmonic 70.0 116.0
angle_coeff @angle:1-3-13 harmonic 80.0 111.0
angle_coeff @angle:3-3-13 harmonic 80.0 117.2
angle_coeff @angle:4-3-13 harmonic 80.0 120.4
angle_coeff @angle:10-3-20 harmonic 81.0 111.4
angle_coeff @angle:13-3-20 harmonic 81.0 111.4
angle_coeff @angle:4-3-20 harmonic 83.0 123.4
angle_coeff @angle:13-3-21 harmonic 75.0 109.0
angle_coeff @angle:4-3-21 harmonic 75.0 119.0
angle_coeff @angle:24-3-24 harmonic 70.0 114.2
angle_coeff @angle:2-3-24 harmonic 70.0 116.6
angle_coeff @angle:3-3-24 harmonic 70.0 116.6
angle_coeff @angle:6-3-24 harmonic 70.0 116.6
angle_coeff @angle:10-3-24 harmonic 70.0 116.6
angle_coeff @angle:13-3-24 harmonic 70.0 116.6
angle_coeff @angle:4-3-24 harmonic 80.0 122.9
angle_coeff @angle:20-3-24 harmonic 81.0 111.4
angle_coeff @angle:13-3-44 harmonic 70.0 116.0
angle_coeff @angle:4-3-44 harmonic 80.0 120.4
angle_coeff @angle:13-3-46 harmonic 35.0 115.0
angle_coeff @angle:46-3-46 harmonic 35.0 115.0
angle_coeff @angle:4-3-46 harmonic 35.0 123.0
angle_coeff @angle:24-3-46 harmonic 40.0 114.0
angle_coeff @angle:5-3-46 harmonic 40.0 115.0
angle_coeff @angle:20-3-46 harmonic 40.0 115.0
angle_coeff @angle:24-3-47 harmonic 70.0 115.5
angle_coeff @angle:4-3-47 harmonic 80.0 125.3
angle_coeff @angle:46-3-48 harmonic 35.0 115.0
angle_coeff @angle:24-3-48 harmonic 70.0 115.5
angle_coeff @angle:13-3-48 harmonic 70.0 116.0
angle_coeff @angle:5-3-48 harmonic 70.0 120.0
angle_coeff @angle:4-3-48 harmonic 80.0 120.4
angle_coeff @angle:20-3-48 harmonic 81.0 111.4
angle_coeff @angle:48-3-48 harmonic 85.0 120.0
angle_coeff @angle:13-3-50 harmonic 70.0 116.0
angle_coeff @angle:46-3-50 harmonic 80.0 116.0
angle_coeff @angle:4-3-50 harmonic 80.0 124.0
angle_coeff @angle:10-3-52 harmonic 65.0 117.0
angle_coeff @angle:2-3-52 harmonic 70.0 117.0
angle_coeff @angle:6-3-52 harmonic 70.0 117.0
angle_coeff @angle:13-3-52 harmonic 70.0 117.0
angle_coeff @angle:48-3-52 harmonic 70.0 117.0
angle_coeff @angle:4-3-52 harmonic 80.0 126.0
angle_coeff @angle:52-3-52 harmonic 80.0 126.0
angle_coeff @angle:46-3-56 harmonic 35.0 122.0
angle_coeff @angle:4-3-56 harmonic 80.0 122.5
angle_coeff @angle:47-3-57 harmonic 70.0 114.1
angle_coeff @angle:56-3-57 harmonic 70.0 118.6
angle_coeff @angle:57-3-57 harmonic 70.0 118.6
angle_coeff @angle:4-3-57 harmonic 80.0 120.6
angle_coeff @angle:24-3-60 harmonic 70.0 111.3
angle_coeff @angle:57-3-60 harmonic 70.0 111.3
angle_coeff @angle:4-3-60 harmonic 80.0 128.8
angle_coeff @angle:13-3-65 harmonic 75.0 109.0
angle_coeff @angle:4-3-65 harmonic 75.0 119.0
angle_coeff @angle:44-3-84 harmonic 70.0 116.0
angle_coeff @angle:4-3-84 harmonic 80.0 120.4
angle_coeff @angle:4-3-87 harmonic 80.0 128.2
angle_coeff @angle:57-3-105 harmonic 70.0 115.4
angle_coeff @angle:56-3-105 harmonic 70.0 118.6
angle_coeff @angle:4-3-105 harmonic 80.0 120.9
angle_coeff @angle:13-3-107 harmonic 70.0 116.6
angle_coeff @angle:4-3-107 harmonic 80.0 122.9
angle_coeff @angle:25-4-25 harmonic 10.0 117.0
angle_coeff @angle:3-4-25 harmonic 35.0 113.0
angle_coeff @angle:3-5-7 harmonic 35.0 113.0
angle_coeff @angle:2-5-7 harmonic 55.0 108.5
angle_coeff @angle:6-5-7 harmonic 55.0 108.5
angle_coeff @angle:7-5-10 harmonic 55.0 108.5
angle_coeff @angle:7-5-13 harmonic 55.0 108.5
angle_coeff @angle:7-5-24 harmonic 49.0 105.4
angle_coeff @angle:25-5-25 harmonic 5.0 109.47
angle_coeff @angle:7-5-25 harmonic 10.0 109.47
angle_coeff @angle:13-5-25 harmonic 10.0 109.47
angle_coeff @angle:7-5-47 harmonic 35.0 109.0
angle_coeff @angle:25-5-48 harmonic 10.0 109.47
angle_coeff @angle:7-5-48 harmonic 35.0 113.0
angle_coeff @angle:7-5-51 harmonic 55.0 108.5
angle_coeff @angle:7-5-64 harmonic 55.0 108.5
angle_coeff @angle:13-5-64 harmonic 100.0 120.5
angle_coeff @angle:7-5-79 harmonic 74.0 110.0
angle_coeff @angle:7-5-106 harmonic 100.0 126.0
angle_coeff @angle:5-7-25 harmonic 10.0 109.47
angle_coeff @angle:25-7-25 harmonic 33.0 109.47
angle_coeff @angle:2-10-2 harmonic 63.0 112.4
angle_coeff @angle:2-10-3 harmonic 63.0 111.1
angle_coeff @angle:2-10-5 harmonic 80.0 109.5
angle_coeff @angle:3-10-6 harmonic 63.0 111.1
angle_coeff @angle:6-10-6 harmonic 63.0 111.5
angle_coeff @angle:2-10-6 harmonic 63.0 112.4
angle_coeff @angle:5-10-6 harmonic 80.0 109.5
angle_coeff @angle:3-10-10 harmonic 63.0 111.1
angle_coeff @angle:2-10-10 harmonic 63.0 111.5
angle_coeff @angle:6-10-10 harmonic 63.0 111.5
angle_coeff @angle:10-10-10 harmonic 63.0 111.5
angle_coeff @angle:5-10-10 harmonic 80.0 109.5
angle_coeff @angle:2-10-20 harmonic 80.0 109.5
angle_coeff @angle:6-10-20 harmonic 80.0 109.5
angle_coeff @angle:10-10-20 harmonic 80.0 109.5
angle_coeff @angle:3-10-24 harmonic 63.0 110.1
angle_coeff @angle:6-10-24 harmonic 80.0 109.5
angle_coeff @angle:2-10-24 harmonic 80.0 109.7
angle_coeff @angle:10-10-24 harmonic 80.0 109.7
angle_coeff @angle:2-10-44 harmonic 56.2 109.47
angle_coeff @angle:6-10-44 harmonic 56.2 109.47
angle_coeff @angle:10-10-44 harmonic 56.2 109.47
angle_coeff @angle:13-10-44 harmonic 56.2 109.47
angle_coeff @angle:3-10-44 harmonic 80.0 109.7
angle_coeff @angle:2-10-48 harmonic 63.0 112.4
angle_coeff @angle:20-10-48 harmonic 80.0 109.5
angle_coeff @angle:2-10-105 harmonic 80.0 109.5
angle_coeff @angle:10-10-105 harmonic 80.0 109.5
angle_coeff @angle:20-10-105 harmonic 80.0 109.5
angle_coeff @angle:2-11-2 harmonic 70.0 124.0
angle_coeff @angle:2-11-6 harmonic 70.0 124.0
angle_coeff @angle:6-11-6 harmonic 70.0 124.0
angle_coeff @angle:2-11-9 harmonic 70.0 118.0
angle_coeff @angle:6-11-9 harmonic 70.0 118.0
angle_coeff @angle:9-11-10 harmonic 70.0 118.0
angle_coeff @angle:2-11-10 harmonic 70.0 124.0
angle_coeff @angle:6-11-10 harmonic 70.0 124.0
angle_coeff @angle:10-11-10 harmonic 70.0 124.0
angle_coeff @angle:2-11-11 harmonic 70.0 118.0
angle_coeff @angle:6-11-11 harmonic 70.0 118.0
angle_coeff @angle:9-11-11 harmonic 70.0 118.0
angle_coeff @angle:10-11-11 harmonic 70.0 118.0
angle_coeff @angle:11-11-11 harmonic 70.0 118.0
angle_coeff @angle:9-11-13 harmonic 70.0 118.0
angle_coeff @angle:11-11-13 harmonic 70.0 118.0
angle_coeff @angle:2-11-13 harmonic 70.0 124.0
angle_coeff @angle:6-11-13 harmonic 70.0 124.0
angle_coeff @angle:10-11-13 harmonic 70.0 124.0
angle_coeff @angle:13-11-13 harmonic 70.0 124.0
angle_coeff @angle:9-11-14 harmonic 70.0 118.0
angle_coeff @angle:11-11-14 harmonic 70.0 118.0
angle_coeff @angle:9-11-79 harmonic 70.0 118.0
angle_coeff @angle:2-12-12 harmonic 70.0 120.0
angle_coeff @angle:3-12-12 harmonic 85.0 120.0
angle_coeff @angle:12-12-12 harmonic 85.0 120.0
angle_coeff @angle:12-12-48 harmonic 85.0 120.0
angle_coeff @angle:12-12-60 harmonic 85.0 120.0
angle_coeff @angle:12-12-81 harmonic 85.0 120.0
angle_coeff @angle:1-13-1 harmonic 77.0 109.1
angle_coeff @angle:2-13-2 harmonic 40.0 109.5
angle_coeff @angle:1-13-3 harmonic 50.0 109.5
angle_coeff @angle:2-13-3 harmonic 63.0 111.1
angle_coeff @angle:3-13-3 harmonic 63.0 111.1
angle_coeff @angle:2-13-6 harmonic 40.0 109.5
angle_coeff @angle:6-13-6 harmonic 40.0 109.5
angle_coeff @angle:3-13-6 harmonic 63.0 109.5
angle_coeff @angle:1-13-13 harmonic 50.0 109.5
angle_coeff @angle:5-13-13 harmonic 50.0 109.5
angle_coeff @angle:13-13-13 harmonic 58.35 112.7
angle_coeff @angle:3-13-13 harmonic 63.0 111.1
angle_coeff @angle:13-13-15 harmonic 50.0 108.6
angle_coeff @angle:13-13-16 harmonic 50.0 114.7
angle_coeff @angle:13-13-19 harmonic 58.35 112.7
angle_coeff @angle:3-13-20 harmonic 50.0 109.5
angle_coeff @angle:13-13-20 harmonic 50.0 109.5
angle_coeff @angle:3-13-21 harmonic 69.0 109.8
angle_coeff @angle:13-13-21 harmonic 69.0 109.8
angle_coeff @angle:21-13-21 harmonic 78.0 111.7
angle_coeff @angle:13-13-22 harmonic 50.0 108.6
angle_coeff @angle:20-13-24 harmonic 50.0 109.5
angle_coeff @angle:3-13-24 harmonic 63.0 110.1
angle_coeff @angle:2-13-24 harmonic 80.0 109.7
angle_coeff @angle:13-13-24 harmonic 80.0 109.7
angle_coeff @angle:16-13-44 harmonic 50.0 114.7
angle_coeff @angle:2-13-44 harmonic 56.2 109.47
angle_coeff @angle:6-13-44 harmonic 56.2 109.47
angle_coeff @angle:10-13-44 harmonic 56.2 109.47
angle_coeff @angle:13-13-44 harmonic 56.2 109.47
angle_coeff @angle:3-13-44 harmonic 80.0 111.2
angle_coeff @angle:46-13-46 harmonic 33.0 107.8
angle_coeff @angle:18-13-46 harmonic 35.0 108.5
angle_coeff @angle:19-13-46 harmonic 35.0 108.5
angle_coeff @angle:2-13-46 harmonic 35.0 109.5
angle_coeff @angle:3-13-46 harmonic 35.0 109.5
angle_coeff @angle:5-13-46 harmonic 35.0 109.5
angle_coeff @angle:15-13-46 harmonic 35.0 109.5
angle_coeff @angle:16-13-46 harmonic 35.0 109.5
angle_coeff @angle:20-13-46 harmonic 35.0 109.5
angle_coeff @angle:22-13-46 harmonic 35.0 109.5
angle_coeff @angle:24-13-46 harmonic 35.0 109.5
angle_coeff @angle:44-13-46 harmonic 35.0 109.5
angle_coeff @angle:13-13-46 harmonic 37.5 110.7
angle_coeff @angle:1-13-46 harmonic 40.0 107.0
angle_coeff @angle:21-13-46 harmonic 51.0 107.6
angle_coeff @angle:46-13-47 harmonic 35.0 109.5
angle_coeff @angle:1-13-47 harmonic 50.0 109.5
angle_coeff @angle:13-13-47 harmonic 63.0 111.1
angle_coeff @angle:47-13-47 harmonic 63.0 112.4
angle_coeff @angle:46-13-48 harmonic 35.0 109.5
angle_coeff @angle:47-13-48 harmonic 40.0 109.5
angle_coeff @angle:48-13-48 harmonic 40.0 109.5
angle_coeff @angle:1-13-48 harmonic 50.0 109.5
angle_coeff @angle:5-13-48 harmonic 50.0 109.5
angle_coeff @angle:20-13-48 harmonic 50.0 109.5
angle_coeff @angle:16-13-48 harmonic 50.0 114.7
angle_coeff @angle:3-13-48 harmonic 63.0 112.0
angle_coeff @angle:2-13-48 harmonic 63.0 114.0
angle_coeff @angle:13-13-48 harmonic 63.0 114.0
angle_coeff @angle:44-13-48 harmonic 80.0 111.2
angle_coeff @angle:46-13-50 harmonic 35.0 109.5
angle_coeff @angle:46-13-51 harmonic 37.5 110.7
angle_coeff @angle:5-13-51 harmonic 50.0 109.5
angle_coeff @angle:13-13-51 harmonic 58.35 112.7
angle_coeff @angle:46-13-53 harmonic 35.0 109.5
angle_coeff @angle:3-13-53 harmonic 80.0 111.2
angle_coeff @angle:13-13-53 harmonic 80.0 111.2
angle_coeff @angle:46-13-55 harmonic 35.0 109.5
angle_coeff @angle:13-13-55 harmonic 80.0 111.2
angle_coeff @angle:46-13-56 harmonic 35.0 109.5
angle_coeff @angle:3-13-56 harmonic 63.0 110.1
angle_coeff @angle:13-13-56 harmonic 65.0 109.0
angle_coeff @angle:46-13-57 harmonic 35.0 109.5
angle_coeff @angle:48-13-57 harmonic 80.0 111.2
angle_coeff @angle:46-13-60 harmonic 35.0 109.5
angle_coeff @angle:13-13-60 harmonic 63.0 114.0
angle_coeff @angle:46-13-64 harmonic 41.0 109.5
angle_coeff @angle:13-13-64 harmonic 43.0 109.5
angle_coeff @angle:48-13-64 harmonic 43.0 109.5
angle_coeff @angle:46-13-65 harmonic 51.0 107.6
angle_coeff @angle:3-13-65 harmonic 69.0 109.8
angle_coeff @angle:13-13-65 harmonic 69.0 110.0
angle_coeff @angle:48-13-65 harmonic 69.0 110.0
angle_coeff @angle:65-13-65 harmonic 78.0 111.7
angle_coeff @angle:46-13-66 harmonic 75.0 111.0
angle_coeff @angle:13-13-66 harmonic 75.0 112.0
angle_coeff @angle:46-13-79 harmonic 35.0 109.5
angle_coeff @angle:13-13-79 harmonic 50.0 108.6
angle_coeff @angle:1-13-79 harmonic 50.0 109.5
angle_coeff @angle:46-13-80 harmonic 35.0 109.5
angle_coeff @angle:13-13-80 harmonic 63.0 115.6
angle_coeff @angle:46-13-83 harmonic 35.0 109.5
angle_coeff @angle:13-13-83 harmonic 63.0 114.0
angle_coeff @angle:46-13-84 harmonic 35.0 109.5
angle_coeff @angle:16-13-84 harmonic 50.0 114.7
angle_coeff @angle:13-13-84 harmonic 63.0 114.0
angle_coeff @angle:46-13-85 harmonic 35.0 109.5
angle_coeff @angle:13-13-85 harmonic 63.0 114.0
angle_coeff @angle:46-13-87 harmonic 35.0 109.5
angle_coeff @angle:13-13-87 harmonic 63.0 115.6
angle_coeff @angle:46-13-90 harmonic 35.0 109.5
angle_coeff @angle:13-13-90 harmonic 80.0 110.0
angle_coeff @angle:3-13-90 harmonic 80.0 113.0
angle_coeff @angle:46-13-91 harmonic 37.5 110.7
angle_coeff @angle:46-13-95 harmonic 35.0 105.0
angle_coeff @angle:13-13-95 harmonic 63.0 105.0
angle_coeff @angle:46-13-101 harmonic 35.0 109.5
angle_coeff @angle:13-13-101 harmonic 80.0 111.2
angle_coeff @angle:46-13-102 harmonic 35.0 105.0
angle_coeff @angle:13-13-102 harmonic 63.0 111.1
angle_coeff @angle:46-13-104 harmonic 41.0 109.5
angle_coeff @angle:13-13-104 harmonic 43.0 109.5
angle_coeff @angle:46-13-105 harmonic 35.0 109.5
angle_coeff @angle:13-13-105 harmonic 50.0 109.5
angle_coeff @angle:20-13-105 harmonic 50.0 109.5
angle_coeff @angle:46-13-107 harmonic 35.0 109.5
angle_coeff @angle:13-13-107 harmonic 80.0 109.7
angle_coeff @angle:46-13-108 harmonic 35.0 109.5
angle_coeff @angle:13-13-108 harmonic 60.0 112.0
angle_coeff @angle:2-14-2 harmonic 70.0 124.0
angle_coeff @angle:2-14-6 harmonic 70.0 124.0
angle_coeff @angle:6-14-6 harmonic 70.0 124.0
angle_coeff @angle:2-14-9 harmonic 70.0 118.0
angle_coeff @angle:6-14-9 harmonic 70.0 118.0
angle_coeff @angle:9-14-10 harmonic 70.0 118.0
angle_coeff @angle:2-14-10 harmonic 70.0 124.0
angle_coeff @angle:6-14-10 harmonic 70.0 124.0
angle_coeff @angle:10-14-10 harmonic 70.0 124.0
angle_coeff @angle:2-14-11 harmonic 70.0 118.0
angle_coeff @angle:6-14-11 harmonic 70.0 118.0
angle_coeff @angle:9-14-11 harmonic 70.0 118.0
angle_coeff @angle:10-14-11 harmonic 70.0 118.0
angle_coeff @angle:11-14-11 harmonic 70.0 118.0
angle_coeff @angle:9-14-13 harmonic 70.0 118.0
angle_coeff @angle:11-14-13 harmonic 70.0 118.0
angle_coeff @angle:2-14-13 harmonic 70.0 124.0
angle_coeff @angle:6-14-13 harmonic 70.0 124.0
angle_coeff @angle:10-14-13 harmonic 70.0 124.0
angle_coeff @angle:13-14-13 harmonic 70.0 124.0
angle_coeff @angle:2-14-14 harmonic 70.0 118.0
angle_coeff @angle:6-14-14 harmonic 70.0 118.0
angle_coeff @angle:9-14-14 harmonic 70.0 118.0
angle_coeff @angle:10-14-14 harmonic 70.0 118.0
angle_coeff @angle:11-14-14 harmonic 70.0 118.0
angle_coeff @angle:13-14-14 harmonic 70.0 118.0
angle_coeff @angle:14-14-14 harmonic 70.0 118.0
angle_coeff @angle:17-15-17 harmonic 35.0 92.07
angle_coeff @angle:2-15-17 harmonic 44.0 96.0
angle_coeff @angle:6-15-17 harmonic 44.0 96.0
angle_coeff @angle:13-15-17 harmonic 44.0 96.0
angle_coeff @angle:25-15-25 harmonic 5.0 109.47
angle_coeff @angle:13-15-25 harmonic 10.0 109.47
angle_coeff @angle:33-15-33 harmonic 10.0 160.0
angle_coeff @angle:2-15-33 harmonic 150.0 96.7
angle_coeff @angle:6-15-33 harmonic 150.0 96.7
angle_coeff @angle:13-15-33 harmonic 150.0 96.7
angle_coeff @angle:17-15-33 harmonic 150.0 96.7
angle_coeff @angle:17-15-48 harmonic 50.0 96.0
angle_coeff @angle:2-16-6 harmonic 62.0 98.9
angle_coeff @angle:13-16-13 harmonic 62.0 98.9
angle_coeff @angle:2-16-16 harmonic 68.0 103.7
angle_coeff @angle:6-16-16 harmonic 68.0 103.7
angle_coeff @angle:13-16-16 harmonic 68.0 103.7
angle_coeff @angle:13-16-19 harmonic 65.0 100.0
angle_coeff @angle:25-16-25 harmonic 5.0 109.47
angle_coeff @angle:13-16-25 harmonic 10.0 109.47
angle_coeff @angle:33-16-33 harmonic 10.0 160.0
angle_coeff @angle:2-16-33 harmonic 150.0 96.7
angle_coeff @angle:6-16-33 harmonic 150.0 96.7
angle_coeff @angle:13-16-33 harmonic 150.0 96.7
angle_coeff @angle:16-16-33 harmonic 150.0 96.7
angle_coeff @angle:13-16-48 harmonic 62.0 104.2
angle_coeff @angle:47-16-48 harmonic 62.0 104.2
angle_coeff @angle:24-16-60 harmonic 74.0 92.4
angle_coeff @angle:25-16-61 harmonic 10.0 130.0
angle_coeff @angle:25-16-82 harmonic 10.0 130.0
angle_coeff @angle:60-16-82 harmonic 74.0 97.0
angle_coeff @angle:25-16-84 harmonic 10.0 130.0
angle_coeff @angle:82-16-84 harmonic 74.0 90.0
angle_coeff @angle:60-16-84 harmonic 74.0 97.0
angle_coeff @angle:84-16-84 harmonic 74.0 97.0
angle_coeff @angle:13-16-91 harmonic 62.0 94.0
angle_coeff @angle:15-17-25 harmonic 10.0 109.47
angle_coeff @angle:25-17-25 harmonic 33.0 109.47
angle_coeff @angle:13-18-19 harmonic 150.0 180.0
angle_coeff @angle:19-18-48 harmonic 170.0 180.0
angle_coeff @angle:18-18-56 harmonic 100.0 180.0
angle_coeff @angle:13-19-18 harmonic 150.0 180.0
angle_coeff @angle:16-19-19 harmonic 140.0 180.0
angle_coeff @angle:13-19-19 harmonic 150.0 180.0
angle_coeff @angle:18-19-25 harmonic 10.0 90.0
angle_coeff @angle:19-19-46 harmonic 112.0 180.0
angle_coeff @angle:18-19-47 harmonic 150.0 180.0
angle_coeff @angle:19-19-47 harmonic 160.0 180.0
angle_coeff @angle:18-19-48 harmonic 150.0 180.0
angle_coeff @angle:19-19-48 harmonic 160.0 180.0
angle_coeff @angle:19-19-50 harmonic 160.0 180.0
angle_coeff @angle:18-19-55 harmonic 150.0 180.0
angle_coeff @angle:18-19-88 harmonic 150.0 180.0
angle_coeff @angle:2-20-2 harmonic 100.0 111.8
angle_coeff @angle:2-20-3 harmonic 83.0 116.9
angle_coeff @angle:3-20-6 harmonic 83.0 116.9
angle_coeff @angle:2-20-6 harmonic 100.0 111.8
angle_coeff @angle:2-20-7 harmonic 55.0 108.5
angle_coeff @angle:7-20-10 harmonic 55.0 108.5
angle_coeff @angle:3-20-10 harmonic 83.0 116.9
angle_coeff @angle:10-20-10 harmonic 100.0 111.8
angle_coeff @angle:13-20-13 harmonic 60.0 109.5
angle_coeff @angle:3-20-13 harmonic 83.0 116.9
angle_coeff @angle:25-20-25 harmonic 5.0 109.47
angle_coeff @angle:13-20-25 harmonic 10.0 109.47
angle_coeff @angle:13-20-47 harmonic 75.0 111.0
angle_coeff @angle:25-20-48 harmonic 10.0 109.47
angle_coeff @angle:13-20-48 harmonic 75.0 111.0
angle_coeff @angle:47-20-48 harmonic 75.0 111.0
angle_coeff @angle:48-20-48 harmonic 75.0 111.0
angle_coeff @angle:3-20-48 harmonic 83.0 116.9
angle_coeff @angle:2-20-48 harmonic 100.0 111.8
angle_coeff @angle:13-20-51 harmonic 60.0 109.5
angle_coeff @angle:2-20-51 harmonic 100.0 113.0
angle_coeff @angle:6-20-51 harmonic 100.0 113.0
angle_coeff @angle:10-20-51 harmonic 100.0 113.0
angle_coeff @angle:24-20-60 harmonic 70.0 104.5
angle_coeff @angle:25-20-61 harmonic 10.0 125.0
angle_coeff @angle:2-20-64 harmonic 100.0 120.5
angle_coeff @angle:6-20-64 harmonic 100.0 120.5
angle_coeff @angle:10-20-64 harmonic 100.0 120.5
angle_coeff @angle:13-20-64 harmonic 100.0 120.5
angle_coeff @angle:48-20-64 harmonic 100.0 120.5
angle_coeff @angle:64-20-64 harmonic 100.0 120.5
angle_coeff @angle:25-20-82 harmonic 10.0 125.0
angle_coeff @angle:60-20-82 harmonic 70.0 106.5
angle_coeff @angle:82-20-82 harmonic 70.0 107.0
angle_coeff @angle:25-20-84 harmonic 10.0 125.0
angle_coeff @angle:82-20-84 harmonic 70.0 104.0
angle_coeff @angle:60-20-84 harmonic 70.0 106.5
angle_coeff @angle:84-20-84 harmonic 70.0 106.5
angle_coeff @angle:61-20-84 harmonic 70.0 108.9
angle_coeff @angle:108-20-108 harmonic 20.0 145.0
angle_coeff @angle:13-20-108 harmonic 40.0 130.0
angle_coeff @angle:25-21-25 harmonic 33.0 109.47
angle_coeff @angle:13-22-13 harmonic 62.0 96.0
angle_coeff @angle:13-22-23 harmonic 74.0 107.0
angle_coeff @angle:23-22-25 harmonic 10.0 90.0
angle_coeff @angle:2-24-3 harmonic 50.0 121.9
angle_coeff @angle:3-24-3 harmonic 70.0 126.4
angle_coeff @angle:3-24-5 harmonic 46.0 115.7
angle_coeff @angle:2-24-6 harmonic 50.0 121.9
angle_coeff @angle:3-24-6 harmonic 50.0 121.9
angle_coeff @angle:2-24-10 harmonic 50.0 118.0
angle_coeff @angle:3-24-10 harmonic 50.0 121.9
angle_coeff @angle:13-24-13 harmonic 50.0 118.0
angle_coeff @angle:3-24-13 harmonic 50.0 121.9
angle_coeff @angle:3-24-16 harmonic 70.0 112.0
angle_coeff @angle:3-24-20 harmonic 70.0 108.6
angle_coeff @angle:3-24-25 harmonic 10.0 109.5
angle_coeff @angle:25-24-45 harmonic 10.0 100.0
angle_coeff @angle:5-24-45 harmonic 35.0 110.2
angle_coeff @angle:3-24-45 harmonic 35.0 119.8
angle_coeff @angle:45-24-45 harmonic 35.0 120.0
angle_coeff @angle:2-24-45 harmonic 38.0 118.4
angle_coeff @angle:6-24-45 harmonic 38.0 118.4
angle_coeff @angle:10-24-45 harmonic 38.0 118.4
angle_coeff @angle:13-24-45 harmonic 38.0 118.4
angle_coeff @angle:45-24-48 harmonic 35.0 119.8
angle_coeff @angle:13-24-48 harmonic 50.0 118.0
angle_coeff @angle:3-24-48 harmonic 50.0 121.9
angle_coeff @angle:48-24-48 harmonic 70.0 118.0
angle_coeff @angle:54-24-54 harmonic 35.0 120.0
angle_coeff @angle:45-24-59 harmonic 35.0 118.0
angle_coeff @angle:3-24-59 harmonic 70.0 125.2
angle_coeff @angle:13-24-79 harmonic 50.0 120.0
angle_coeff @angle:45-24-79 harmonic 100.0 111.0
angle_coeff @angle:45-24-84 harmonic 35.0 119.8
angle_coeff @angle:48-24-84 harmonic 70.0 118.0
angle_coeff @angle:16-24-86 harmonic 70.0 117.0
angle_coeff @angle:45-24-87 harmonic 35.0 119.8
angle_coeff @angle:48-24-87 harmonic 70.0 118.0
angle_coeff @angle:45-24-88 harmonic 35.0 119.8
angle_coeff @angle:48-24-88 harmonic 70.0 118.0
angle_coeff @angle:45-24-91 harmonic 40.0 113.0
angle_coeff @angle:3-24-91 harmonic 55.0 128.0
angle_coeff @angle:48-24-103 harmonic 70.0 121.0
angle_coeff @angle:3-24-106 harmonic 20.0 126.0
angle_coeff @angle:25-25-25 harmonic 33.0 109.47
angle_coeff @angle:32-31-32 harmonic 75.0 104.52
angle_coeff @angle:32-31-33 harmonic 50.0 52.26
angle_coeff @angle:35-34-35 harmonic 34.05 104.52
angle_coeff @angle:37-36-37 harmonic 75.0 109.5
angle_coeff @angle:37-36-38 harmonic 50.0 54.75
angle_coeff @angle:40-39-40 harmonic 75.0 104.52
angle_coeff @angle:41-39-41 harmonic 50.0 109.47
angle_coeff @angle:40-39-41 harmonic 50.0 110.6948
angle_coeff @angle:43-42-43 harmonic 75.0 109.47
angle_coeff @angle:2-44-2 harmonic 51.8 107.2
angle_coeff @angle:2-44-6 harmonic 51.8 107.2
angle_coeff @angle:6-44-6 harmonic 51.8 107.2
angle_coeff @angle:2-44-10 harmonic 51.8 107.2
angle_coeff @angle:6-44-10 harmonic 51.8 107.2
angle_coeff @angle:10-44-10 harmonic 51.8 107.2
angle_coeff @angle:2-44-13 harmonic 51.8 107.2
angle_coeff @angle:6-44-13 harmonic 51.8 107.2
angle_coeff @angle:10-44-13 harmonic 51.8 107.2
angle_coeff @angle:13-44-13 harmonic 51.8 107.2
angle_coeff @angle:3-44-13 harmonic 63.0 111.1
angle_coeff @angle:25-44-45 harmonic 10.0 100.0
angle_coeff @angle:13-44-45 harmonic 35.0 109.5
angle_coeff @angle:2-44-45 harmonic 43.2 108.1
angle_coeff @angle:6-44-45 harmonic 43.2 108.1
angle_coeff @angle:10-44-45 harmonic 43.2 108.1
angle_coeff @angle:45-44-45 harmonic 43.6 106.4
angle_coeff @angle:25-44-48 harmonic 10.0 109.5
angle_coeff @angle:45-44-48 harmonic 35.0 116.0
angle_coeff @angle:13-44-48 harmonic 50.0 116.0
angle_coeff @angle:48-44-48 harmonic 50.0 116.0
angle_coeff @angle:3-44-48 harmonic 63.0 112.0
angle_coeff @angle:45-44-79 harmonic 35.0 115.0
angle_coeff @angle:13-44-79 harmonic 50.0 108.6
angle_coeff @angle:48-44-79 harmonic 50.0 108.6
angle_coeff @angle:48-44-91 harmonic 50.0 109.5
angle_coeff @angle:25-45-25 harmonic 33.0 109.47
angle_coeff @angle:25-45-44 harmonic 10.0 109.5
angle_coeff @angle:25-46-25 harmonic 33.0 109.47
angle_coeff @angle:13-46-25 harmonic 37.5 109.47
angle_coeff @angle:1-47-1 harmonic 80.0 108.0
angle_coeff @angle:1-47-3 harmonic 80.0 121.5
angle_coeff @angle:3-47-6 harmonic 85.0 119.7
angle_coeff @angle:3-47-13 harmonic 70.0 119.7
angle_coeff @angle:13-47-13 harmonic 70.0 130.0
angle_coeff @angle:25-47-46 harmonic 10.0 90.0
angle_coeff @angle:20-47-46 harmonic 35.0 114.5
angle_coeff @angle:13-47-46 harmonic 35.0 117.0
angle_coeff @angle:46-47-46 harmonic 35.0 117.0
angle_coeff @angle:3-47-46 harmonic 35.0 119.7
angle_coeff @angle:19-47-46 harmonic 35.0 120.0
angle_coeff @angle:1-47-46 harmonic 50.0 112.0
angle_coeff @angle:21-47-46 harmonic 60.0 114.0
angle_coeff @angle:25-47-47 harmonic 2.0 90.0
angle_coeff @angle:46-47-47 harmonic 35.0 120.0
angle_coeff @angle:5-47-47 harmonic 70.0 123.0
angle_coeff @angle:20-47-47 harmonic 70.0 123.0
angle_coeff @angle:13-47-47 harmonic 70.0 124.0
angle_coeff @angle:19-47-47 harmonic 70.0 124.0
angle_coeff @angle:21-47-47 harmonic 75.0 121.5
angle_coeff @angle:1-47-47 harmonic 80.0 121.5
angle_coeff @angle:16-47-47 harmonic 85.0 119.4
angle_coeff @angle:3-47-47 harmonic 85.0 120.7
angle_coeff @angle:46-47-48 harmonic 35.0 123.3
angle_coeff @angle:47-47-48 harmonic 85.0 117.0
angle_coeff @angle:13-47-48 harmonic 85.0 119.7
angle_coeff @angle:25-47-50 harmonic 2.0 90.0
angle_coeff @angle:46-47-50 harmonic 35.0 120.0
angle_coeff @angle:5-47-50 harmonic 70.0 123.0
angle_coeff @angle:20-47-50 harmonic 70.0 123.0
angle_coeff @angle:13-47-50 harmonic 70.0 124.0
angle_coeff @angle:46-47-57 harmonic 35.0 119.1
angle_coeff @angle:13-47-57 harmonic 70.0 120.0
angle_coeff @angle:20-47-57 harmonic 70.0 120.0
angle_coeff @angle:47-47-57 harmonic 70.0 121.2
angle_coeff @angle:16-47-57 harmonic 85.0 119.4
angle_coeff @angle:57-47-58 harmonic 35.0 119.1
angle_coeff @angle:47-47-58 harmonic 35.0 119.7
angle_coeff @angle:46-47-65 harmonic 60.0 114.0
angle_coeff @angle:47-47-65 harmonic 75.0 120.0
angle_coeff @angle:46-47-91 harmonic 35.0 135.0
angle_coeff @angle:3-47-91 harmonic 70.0 119.7
angle_coeff @angle:47-47-91 harmonic 70.0 124.0
angle_coeff @angle:46-47-105 harmonic 35.0 119.1
angle_coeff @angle:58-47-105 harmonic 35.0 119.1
angle_coeff @angle:13-47-105 harmonic 70.0 120.0
angle_coeff @angle:20-47-105 harmonic 70.0 120.0
angle_coeff @angle:47-47-105 harmonic 70.0 121.2
angle_coeff @angle:16-47-105 harmonic 85.0 119.4
angle_coeff @angle:46-47-110 harmonic 40.0 121.0
angle_coeff @angle:13-47-110 harmonic 80.0 122.0
angle_coeff @angle:48-47-110 harmonic 80.0 122.0
angle_coeff @angle:1-47-110 harmonic 80.0 125.0
angle_coeff @angle:2-48-12 harmonic 70.0 120.0
angle_coeff @angle:12-48-12 harmonic 85.0 120.0
angle_coeff @angle:3-48-13 harmonic 70.0 119.7
angle_coeff @angle:25-48-48 harmonic 10.0 90.0
angle_coeff @angle:48-48-48 harmonic 63.0 120.0
angle_coeff @angle:2-48-48 harmonic 70.0 120.0
angle_coeff @angle:5-48-48 harmonic 70.0 120.0
angle_coeff @angle:10-48-48 harmonic 70.0 120.0
angle_coeff @angle:13-48-48 harmonic 70.0 120.0
angle_coeff @angle:15-48-48 harmonic 70.0 120.0
angle_coeff @angle:19-48-48 harmonic 70.0 120.0
angle_coeff @angle:20-48-48 harmonic 70.0 120.0
angle_coeff @angle:24-48-48 harmonic 70.0 120.0
angle_coeff @angle:44-48-48 harmonic 70.0 120.0
angle_coeff @angle:47-48-48 harmonic 70.0 124.0
angle_coeff @angle:21-48-48 harmonic 75.0 120.0
angle_coeff @angle:1-48-48 harmonic 80.0 120.0
angle_coeff @angle:18-48-48 harmonic 80.0 120.0
angle_coeff @angle:16-48-48 harmonic 85.0 119.4
angle_coeff @angle:3-48-48 harmonic 85.0 120.0
angle_coeff @angle:25-48-49 harmonic 2.0 90.0
angle_coeff @angle:24-48-49 harmonic 35.0 119.1
angle_coeff @angle:3-48-49 harmonic 35.0 120.0
angle_coeff @angle:48-48-49 harmonic 35.0 120.0
angle_coeff @angle:48-48-50 harmonic 70.0 124.0
angle_coeff @angle:48-48-53 harmonic 70.0 120.0
angle_coeff @angle:55-48-55 harmonic 70.0 120.0
angle_coeff @angle:47-48-55 harmonic 70.0 120.1
angle_coeff @angle:48-48-55 harmonic 70.0 120.1
angle_coeff @angle:49-48-56 harmonic 35.0 116.0
angle_coeff @angle:13-48-56 harmonic 70.0 116.0
angle_coeff @angle:44-48-56 harmonic 70.0 116.0
angle_coeff @angle:55-48-56 harmonic 70.0 119.3
angle_coeff @angle:5-48-56 harmonic 70.0 120.0
angle_coeff @angle:47-48-56 harmonic 70.0 121.5
angle_coeff @angle:50-48-56 harmonic 70.0 121.5
angle_coeff @angle:48-48-56 harmonic 70.0 124.0
angle_coeff @angle:21-48-56 harmonic 75.0 120.0
angle_coeff @angle:49-48-57 harmonic 35.0 120.0
angle_coeff @angle:48-48-57 harmonic 70.0 108.7
angle_coeff @angle:55-48-57 harmonic 70.0 116.0
angle_coeff @angle:13-48-57 harmonic 70.0 120.0
angle_coeff @angle:47-48-57 harmonic 70.0 121.5
angle_coeff @angle:56-48-57 harmonic 70.0 123.3
angle_coeff @angle:49-48-60 harmonic 35.0 120.0
angle_coeff @angle:48-48-60 harmonic 63.0 120.0
angle_coeff @angle:57-48-60 harmonic 70.0 108.7
angle_coeff @angle:56-48-60 harmonic 70.0 117.3
angle_coeff @angle:55-48-60 harmonic 70.0 123.5
angle_coeff @angle:2-48-60 harmonic 70.0 128.6
angle_coeff @angle:13-48-60 harmonic 70.0 128.6
angle_coeff @angle:49-48-61 harmonic 35.0 119.1
angle_coeff @angle:48-48-61 harmonic 70.0 108.7
angle_coeff @angle:57-48-61 harmonic 70.0 123.3
angle_coeff @angle:48-48-64 harmonic 85.0 119.4
angle_coeff @angle:48-48-65 harmonic 75.0 120.0
angle_coeff @angle:48-48-66 harmonic 75.0 120.0
angle_coeff @angle:48-48-79 harmonic 85.0 119.4
angle_coeff @angle:49-48-81 harmonic 35.0 120.0
angle_coeff @angle:48-48-81 harmonic 85.0 120.0
angle_coeff @angle:49-48-84 harmonic 35.0 126.9
angle_coeff @angle:60-48-84 harmonic 63.0 106.4
angle_coeff @angle:48-48-84 harmonic 70.0 107.4
angle_coeff @angle:49-48-86 harmonic 35.0 120.0
angle_coeff @angle:48-48-86 harmonic 63.0 120.0
angle_coeff @angle:56-48-86 harmonic 70.0 124.0
angle_coeff @angle:49-48-88 harmonic 35.0 128.2
angle_coeff @angle:101-48-101 harmonic 70.0 111.8
angle_coeff @angle:56-48-101 harmonic 70.0 124.1
angle_coeff @angle:48-48-102 harmonic 85.0 120.0
angle_coeff @angle:48-48-109 harmonic 70.0 124.0
angle_coeff @angle:25-50-46 harmonic 10.0 90.0
angle_coeff @angle:19-50-46 harmonic 35.0 120.0
angle_coeff @angle:25-50-47 harmonic 2.0 90.0
angle_coeff @angle:46-50-47 harmonic 35.0 120.0
angle_coeff @angle:3-50-47 harmonic 70.0 118.7
angle_coeff @angle:13-50-47 harmonic 70.0 124.0
angle_coeff @angle:46-50-48 harmonic 35.0 123.3
angle_coeff @angle:47-50-48 harmonic 85.0 117.0
angle_coeff @angle:25-50-50 harmonic 2.0 90.0
angle_coeff @angle:46-50-50 harmonic 35.0 120.0
angle_coeff @angle:13-50-50 harmonic 70.0 124.0
angle_coeff @angle:47-50-50 harmonic 70.0 124.0
angle_coeff @angle:50-50-84 harmonic 35.0 106.0
angle_coeff @angle:46-50-84 harmonic 35.0 122.0
angle_coeff @angle:46-50-109 harmonic 35.0 120.0
angle_coeff @angle:13-50-109 harmonic 70.0 124.0
angle_coeff @angle:47-50-109 harmonic 70.0 124.0
angle_coeff @angle:6-51-6 harmonic 40.0 109.5
angle_coeff @angle:5-51-13 harmonic 50.0 109.5
angle_coeff @angle:13-51-20 harmonic 50.0 109.5
angle_coeff @angle:2-51-20 harmonic 80.0 109.5
angle_coeff @angle:6-51-20 harmonic 80.0 109.5
angle_coeff @angle:5-51-20 harmonic 92.6 111.55
angle_coeff @angle:20-51-20 harmonic 92.6 111.55
angle_coeff @angle:46-51-46 harmonic 33.0 109.5
angle_coeff @angle:5-51-46 harmonic 35.0 109.5
angle_coeff @angle:20-51-46 harmonic 35.0 109.5
angle_coeff @angle:13-51-46 harmonic 37.5 110.7
angle_coeff @angle:46-51-105 harmonic 35.0 109.5
angle_coeff @angle:13-51-105 harmonic 50.0 109.5
angle_coeff @angle:20-51-105 harmonic 50.0 109.5
angle_coeff @angle:13-53-13 harmonic 50.0 113.0
angle_coeff @angle:13-53-25 harmonic 10.0 100.0
angle_coeff @angle:45-53-45 harmonic 43.6 109.5
angle_coeff @angle:25-53-48 harmonic 10.0 100.0
angle_coeff @angle:13-53-48 harmonic 55.0 114.0
angle_coeff @angle:2-53-54 harmonic 35.0 109.5
angle_coeff @angle:6-53-54 harmonic 35.0 109.5
angle_coeff @angle:13-53-54 harmonic 35.0 109.5
angle_coeff @angle:48-53-54 harmonic 35.0 109.5
angle_coeff @angle:54-53-54 harmonic 35.0 109.5
angle_coeff @angle:25-53-82 harmonic 10.0 100.0
angle_coeff @angle:13-55-13 harmonic 50.0 118.0
angle_coeff @angle:45-55-45 harmonic 35.0 113.0
angle_coeff @angle:13-55-45 harmonic 35.0 118.4
angle_coeff @angle:45-55-48 harmonic 35.0 120.0
angle_coeff @angle:2-55-48 harmonic 50.0 123.2
angle_coeff @angle:6-55-48 harmonic 50.0 123.2
angle_coeff @angle:13-55-48 harmonic 50.0 123.2
angle_coeff @angle:2-55-54 harmonic 35.0 118.4
angle_coeff @angle:13-55-54 harmonic 35.0 118.4
angle_coeff @angle:48-55-54 harmonic 35.0 120.0
angle_coeff @angle:54-55-54 harmonic 35.0 120.0
angle_coeff @angle:45-55-59 harmonic 35.0 120.0
angle_coeff @angle:3-56-13 harmonic 70.0 120.5
angle_coeff @angle:13-56-18 harmonic 70.0 120.0
angle_coeff @angle:25-56-48 harmonic 5.0 120.0
angle_coeff @angle:45-56-48 harmonic 35.0 113.0
angle_coeff @angle:13-56-48 harmonic 50.0 118.0
angle_coeff @angle:48-56-48 harmonic 70.0 117.0
angle_coeff @angle:3-56-48 harmonic 70.0 120.5
angle_coeff @angle:13-56-56 harmonic 70.0 117.0
angle_coeff @angle:48-56-56 harmonic 70.0 117.0
angle_coeff @angle:25-56-59 harmonic 5.0 119.8
angle_coeff @angle:48-56-59 harmonic 70.0 118.6
angle_coeff @angle:59-56-59 harmonic 70.0 118.6
angle_coeff @angle:59-56-60 harmonic 70.0 111.0
angle_coeff @angle:48-56-60 harmonic 70.0 112.2
angle_coeff @angle:59-56-82 harmonic 70.0 111.0
angle_coeff @angle:48-56-86 harmonic 70.0 117.0
angle_coeff @angle:13-56-103 harmonic 70.0 114.0
angle_coeff @angle:3-57-3 harmonic 70.0 126.4
angle_coeff @angle:3-57-45 harmonic 35.0 116.8
angle_coeff @angle:45-57-47 harmonic 35.0 119.2
angle_coeff @angle:3-57-47 harmonic 70.0 121.6
angle_coeff @angle:45-57-48 harmonic 35.0 118.0
angle_coeff @angle:3-57-48 harmonic 70.0 125.2
angle_coeff @angle:48-57-48 harmonic 70.0 125.2
angle_coeff @angle:45-57-60 harmonic 30.0 125.8
angle_coeff @angle:13-57-60 harmonic 70.0 125.8
angle_coeff @angle:60-57-61 harmonic 56.0 113.1
angle_coeff @angle:45-57-61 harmonic 56.0 118.4
angle_coeff @angle:13-57-61 harmonic 70.0 118.4
angle_coeff @angle:48-57-61 harmonic 70.0 118.4
angle_coeff @angle:45-57-62 harmonic 30.0 128.8
angle_coeff @angle:60-57-62 harmonic 70.0 105.4
angle_coeff @angle:48-57-62 harmonic 70.0 109.8
angle_coeff @angle:13-57-62 harmonic 70.0 128.8
angle_coeff @angle:45-57-81 harmonic 35.0 123.1
angle_coeff @angle:45-57-82 harmonic 35.0 120.0
angle_coeff @angle:61-57-82 harmonic 56.0 113.1
angle_coeff @angle:60-57-82 harmonic 70.0 109.8
angle_coeff @angle:45-57-84 harmonic 35.0 120.0
angle_coeff @angle:61-57-84 harmonic 56.0 113.1
angle_coeff @angle:60-57-84 harmonic 70.0 109.8
angle_coeff @angle:82-57-84 harmonic 70.0 109.8
angle_coeff @angle:84-57-84 harmonic 70.0 109.8
angle_coeff @angle:81-57-84 harmonic 70.0 111.6
angle_coeff @angle:45-57-85 harmonic 35.0 120.0
angle_coeff @angle:82-57-85 harmonic 70.0 109.8
angle_coeff @angle:24-59-55 harmonic 70.0 116.0
angle_coeff @angle:49-59-56 harmonic 35.0 115.45
angle_coeff @angle:13-59-56 harmonic 70.0 115.5
angle_coeff @angle:55-59-56 harmonic 70.0 119.3
angle_coeff @angle:24-59-56 harmonic 70.0 123.3
angle_coeff @angle:56-59-56 harmonic 70.0 129.1
angle_coeff @angle:56-59-63 harmonic 35.0 115.45
angle_coeff @angle:13-60-48 harmonic 70.0 120.0
angle_coeff @angle:48-60-48 harmonic 85.0 134.9
angle_coeff @angle:56-60-57 harmonic 70.0 126.2
angle_coeff @angle:57-60-60 harmonic 70.0 106.2
angle_coeff @angle:20-60-60 harmonic 70.0 110.6
angle_coeff @angle:16-60-60 harmonic 70.0 111.0
angle_coeff @angle:13-60-60 harmonic 70.0 120.0
angle_coeff @angle:24-60-60 harmonic 70.0 127.7
angle_coeff @angle:56-60-60 harmonic 70.0 127.7
angle_coeff @angle:48-60-60 harmonic 85.0 117.3
angle_coeff @angle:3-60-60 harmonic 85.0 119.2
angle_coeff @angle:60-60-61 harmonic 70.0 111.0
angle_coeff @angle:24-60-61 harmonic 70.0 126.2
angle_coeff @angle:3-60-61 harmonic 70.0 130.0
angle_coeff @angle:48-60-61 harmonic 70.0 132.4
angle_coeff @angle:12-60-80 harmonic 85.0 134.9
angle_coeff @angle:48-60-80 harmonic 85.0 134.9
angle_coeff @angle:80-60-81 harmonic 85.0 108.8
angle_coeff @angle:12-60-81 harmonic 85.0 116.2
angle_coeff @angle:48-60-81 harmonic 85.0 116.2
angle_coeff @angle:3-60-84 harmonic 70.0 130.0
angle_coeff @angle:60-60-87 harmonic 70.0 107.3
angle_coeff @angle:57-60-87 harmonic 70.0 107.7
angle_coeff @angle:81-60-87 harmonic 85.0 108.8
angle_coeff @angle:12-60-87 harmonic 85.0 134.9
angle_coeff @angle:48-60-87 harmonic 85.0 134.9
angle_coeff @angle:60-60-105 harmonic 70.0 106.2
angle_coeff @angle:56-60-105 harmonic 70.0 126.2
angle_coeff @angle:48-61-48 harmonic 70.0 125.2
angle_coeff @angle:25-61-57 harmonic 10.0 125.0
angle_coeff @angle:25-61-61 harmonic 10.0 125.0
angle_coeff @angle:60-61-62 harmonic 70.0 103.8
angle_coeff @angle:25-61-82 harmonic 10.0 125.0
angle_coeff @angle:61-61-82 harmonic 70.0 109.0
angle_coeff @angle:60-61-82 harmonic 70.0 110.0
angle_coeff @angle:82-61-83 harmonic 70.0 110.0
angle_coeff @angle:57-61-84 harmonic 70.0 104.1
angle_coeff @angle:82-61-84 harmonic 70.0 110.0
angle_coeff @angle:57-61-88 harmonic 70.0 104.1
angle_coeff @angle:20-61-88 harmonic 70.0 105.3
angle_coeff @angle:49-62-57 harmonic 35.0 120.0
angle_coeff @angle:49-62-61 harmonic 35.0 120.0
angle_coeff @angle:57-62-61 harmonic 70.0 113.9
angle_coeff @angle:57-62-63 harmonic 35.0 123.05
angle_coeff @angle:61-62-63 harmonic 35.0 123.05
angle_coeff @angle:49-62-105 harmonic 35.0 120.0
angle_coeff @angle:63-62-105 harmonic 35.0 123.05
angle_coeff @angle:61-62-105 harmonic 70.0 113.9
angle_coeff @angle:5-64-5 harmonic 45.0 102.6
angle_coeff @angle:4-64-5 harmonic 100.0 108.23
angle_coeff @angle:4-64-13 harmonic 45.0 109.5
angle_coeff @angle:5-64-20 harmonic 45.0 102.6
angle_coeff @angle:20-64-20 harmonic 45.0 102.6
angle_coeff @angle:13-64-20 harmonic 45.0 109.5
angle_coeff @angle:4-64-20 harmonic 100.0 108.23
angle_coeff @angle:4-64-48 harmonic 45.0 109.5
angle_coeff @angle:5-64-48 harmonic 45.0 109.5
angle_coeff @angle:20-64-48 harmonic 45.0 109.5
angle_coeff @angle:5-64-52 harmonic 45.0 108.23
angle_coeff @angle:13-64-52 harmonic 45.0 109.5
angle_coeff @angle:20-64-52 harmonic 100.0 108.23
angle_coeff @angle:52-64-52 harmonic 140.0 119.9
angle_coeff @angle:25-65-25 harmonic 33.0 109.47
angle_coeff @angle:25-66-25 harmonic 33.0 109.47
angle_coeff @angle:78-77-78 harmonic 150.0 180.0
angle_coeff @angle:6-79-11 harmonic 62.0 98.9
angle_coeff @angle:13-79-13 harmonic 62.0 102.0
angle_coeff @angle:5-79-13 harmonic 75.0 96.4
angle_coeff @angle:5-79-23 harmonic 74.0 108.7
angle_coeff @angle:13-79-23 harmonic 74.0 108.9
angle_coeff @angle:23-79-23 harmonic 104.0 119.0
angle_coeff @angle:13-79-24 harmonic 100.0 103.0
angle_coeff @angle:23-79-24 harmonic 120.0 107.0
angle_coeff @angle:13-79-44 harmonic 62.0 102.0
angle_coeff @angle:23-79-44 harmonic 74.0 108.9
angle_coeff @angle:13-79-48 harmonic 62.0 102.0
angle_coeff @angle:23-79-48 harmonic 74.0 107.2
angle_coeff @angle:5-79-48 harmonic 75.0 96.4
angle_coeff @angle:24-79-48 harmonic 100.0 103.0
angle_coeff @angle:13-79-82 harmonic 62.0 102.0
angle_coeff @angle:46-80-60 harmonic 35.0 126.8
angle_coeff @angle:2-80-60 harmonic 70.0 128.6
angle_coeff @angle:13-80-60 harmonic 70.0 128.6
angle_coeff @angle:46-80-84 harmonic 35.0 126.8
angle_coeff @angle:2-80-84 harmonic 70.0 125.0
angle_coeff @angle:13-80-84 harmonic 70.0 125.0
angle_coeff @angle:60-80-84 harmonic 85.0 106.4
angle_coeff @angle:12-81-57 harmonic 70.0 132.8
angle_coeff @angle:48-81-57 harmonic 70.0 132.8
angle_coeff @angle:57-81-60 harmonic 70.0 104.4
angle_coeff @angle:12-81-60 harmonic 85.0 122.7
angle_coeff @angle:48-81-60 harmonic 85.0 122.7
angle_coeff @angle:13-82-16 harmonic 70.0 125.0
angle_coeff @angle:16-82-24 harmonic 70.0 125.0
angle_coeff @angle:16-82-44 harmonic 70.0 120.2
angle_coeff @angle:20-82-49 harmonic 35.0 117.0
angle_coeff @angle:16-82-49 harmonic 35.0 125.0
angle_coeff @angle:49-82-57 harmonic 35.0 120.0
angle_coeff @angle:57-82-57 harmonic 70.0 120.0
angle_coeff @angle:13-82-57 harmonic 70.0 125.0
angle_coeff @angle:48-82-57 harmonic 70.0 125.0
angle_coeff @angle:56-82-57 harmonic 70.0 126.2
angle_coeff @angle:49-82-61 harmonic 35.0 120.0
angle_coeff @angle:16-82-61 harmonic 70.0 115.0
angle_coeff @angle:20-82-61 harmonic 70.0 115.0
angle_coeff @angle:57-82-61 harmonic 70.0 120.0
angle_coeff @angle:13-82-61 harmonic 70.0 125.0
angle_coeff @angle:44-82-61 harmonic 70.0 126.1
angle_coeff @angle:24-82-61 harmonic 70.0 126.2
angle_coeff @angle:57-82-79 harmonic 70.0 120.0
angle_coeff @angle:61-82-79 harmonic 70.0 120.0
angle_coeff @angle:20-82-86 harmonic 70.0 122.0
angle_coeff @angle:61-82-86 harmonic 70.0 130.0
angle_coeff @angle:57-82-87 harmonic 70.0 106.2
angle_coeff @angle:56-82-87 harmonic 70.0 127.7
angle_coeff @angle:49-83-61 harmonic 35.0 120.0
angle_coeff @angle:48-83-61 harmonic 70.0 111.0
angle_coeff @angle:13-83-61 harmonic 70.0 124.5
angle_coeff @angle:49-83-84 harmonic 35.0 128.2
angle_coeff @angle:61-83-84 harmonic 70.0 111.0
angle_coeff @angle:13-83-84 harmonic 70.0 130.7
angle_coeff @angle:13-84-16 harmonic 70.0 125.0
angle_coeff @angle:13-84-20 harmonic 70.0 121.6
angle_coeff @angle:16-84-24 harmonic 70.0 125.0
angle_coeff @angle:20-84-49 harmonic 35.0 113.4
angle_coeff @angle:16-84-49 harmonic 35.0 125.0
angle_coeff @angle:48-84-49 harmonic 35.0 130.7
angle_coeff @angle:49-84-50 harmonic 35.0 130.7
angle_coeff @angle:20-84-50 harmonic 70.0 110.0
angle_coeff @angle:49-84-57 harmonic 35.0 121.6
angle_coeff @angle:13-84-57 harmonic 70.0 121.6
angle_coeff @angle:48-84-57 harmonic 70.0 121.6
angle_coeff @angle:3-84-57 harmonic 85.0 120.0
angle_coeff @angle:57-84-58 harmonic 35.0 120.0
angle_coeff @angle:13-84-61 harmonic 70.0 118.9
angle_coeff @angle:49-84-80 harmonic 35.0 120.0
angle_coeff @angle:57-84-80 harmonic 70.0 108.7
angle_coeff @angle:49-84-83 harmonic 35.0 130.7
angle_coeff @angle:57-84-83 harmonic 70.0 106.3
angle_coeff @angle:20-84-83 harmonic 70.0 108.0
angle_coeff @angle:16-84-83 harmonic 70.0 111.0
angle_coeff @angle:13-84-83 harmonic 70.0 130.7
angle_coeff @angle:13-84-84 harmonic 70.0 120.0
angle_coeff @angle:57-84-84 harmonic 70.0 120.0
angle_coeff @angle:61-84-84 harmonic 70.0 120.0
angle_coeff @angle:20-84-86 harmonic 70.0 121.6
angle_coeff @angle:57-84-86 harmonic 70.0 121.6
angle_coeff @angle:49-84-87 harmonic 35.0 132.1
angle_coeff @angle:57-84-87 harmonic 70.0 107.7
angle_coeff @angle:20-84-87 harmonic 70.0 110.6
angle_coeff @angle:16-84-87 harmonic 70.0 111.0
angle_coeff @angle:61-84-87 harmonic 70.0 111.9
angle_coeff @angle:13-84-87 harmonic 70.0 132.1
angle_coeff @angle:48-84-87 harmonic 70.0 132.1
angle_coeff @angle:86-84-87 harmonic 70.0 132.1
angle_coeff @angle:3-84-87 harmonic 85.0 120.0
angle_coeff @angle:49-85-57 harmonic 35.0 120.0
angle_coeff @angle:13-85-57 harmonic 70.0 121.6
angle_coeff @angle:49-85-85 harmonic 35.0 130.7
angle_coeff @angle:57-85-85 harmonic 70.0 106.3
angle_coeff @angle:13-85-85 harmonic 70.0 130.7
angle_coeff @angle:48-86-48 harmonic 63.0 120.0
angle_coeff @angle:48-86-56 harmonic 70.0 124.0
angle_coeff @angle:48-86-82 harmonic 63.0 120.0
angle_coeff @angle:48-86-83 harmonic 63.0 120.0
angle_coeff @angle:48-86-84 harmonic 63.0 120.0
angle_coeff @angle:48-86-86 harmonic 63.0 120.0
angle_coeff @angle:56-86-86 harmonic 70.0 124.0
angle_coeff @angle:48-86-87 harmonic 63.0 120.0
angle_coeff @angle:48-86-88 harmonic 63.0 120.0
angle_coeff @angle:49-87-60 harmonic 35.0 120.0
angle_coeff @angle:46-87-60 harmonic 35.0 126.8
angle_coeff @angle:13-87-60 harmonic 70.0 128.6
angle_coeff @angle:49-87-84 harmonic 35.0 125.7
angle_coeff @angle:46-87-84 harmonic 35.0 126.8
angle_coeff @angle:84-87-84 harmonic 70.0 103.8
angle_coeff @angle:82-87-84 harmonic 70.0 110.4
angle_coeff @angle:2-87-84 harmonic 70.0 125.0
angle_coeff @angle:13-87-84 harmonic 70.0 125.0
angle_coeff @angle:3-87-84 harmonic 70.0 130.0
angle_coeff @angle:60-87-84 harmonic 85.0 106.4
angle_coeff @angle:84-87-86 harmonic 70.0 125.7
angle_coeff @angle:49-87-87 harmonic 35.0 127.5
angle_coeff @angle:60-87-87 harmonic 70.0 107.3
angle_coeff @angle:84-87-87 harmonic 70.0 107.3
angle_coeff @angle:86-87-87 harmonic 70.0 127.5
angle_coeff @angle:84-87-88 harmonic 70.0 103.8
angle_coeff @angle:48-88-49 harmonic 35.0 128.6
angle_coeff @angle:49-88-61 harmonic 35.0 118.9
angle_coeff @angle:13-88-61 harmonic 70.0 118.9
angle_coeff @angle:19-88-61 harmonic 70.0 118.9
angle_coeff @angle:61-88-87 harmonic 70.0 111.9
angle_coeff @angle:4-89-90 harmonic 80.0 134.0
angle_coeff @angle:90-89-91 harmonic 70.0 91.0
angle_coeff @angle:4-89-91 harmonic 80.0 134.0
angle_coeff @angle:13-90-89 harmonic 55.0 127.0
angle_coeff @angle:89-90-91 harmonic 50.0 94.0
angle_coeff @angle:13-90-91 harmonic 50.0 126.0
angle_coeff @angle:24-91-46 harmonic 35.0 108.0
angle_coeff @angle:13-91-46 harmonic 35.0 114.3
angle_coeff @angle:44-91-46 harmonic 35.0 114.3
angle_coeff @angle:46-91-46 harmonic 35.0 114.3
angle_coeff @angle:16-91-46 harmonic 37.5 108.0
angle_coeff @angle:46-91-47 harmonic 35.0 109.5
angle_coeff @angle:46-91-89 harmonic 37.5 110.0
angle_coeff @angle:24-91-89 harmonic 70.0 117.0
angle_coeff @angle:46-91-90 harmonic 35.0 111.0
angle_coeff @angle:16-91-90 harmonic 55.0 109.0
angle_coeff @angle:91-91-91 harmonic 30.0 79.2
angle_coeff @angle:13-91-91 harmonic 37.5 117.2
angle_coeff @angle:44-91-91 harmonic 37.5 117.2
angle_coeff @angle:46-91-91 harmonic 37.5 117.2
angle_coeff @angle:24-91-91 harmonic 37.5 126.0
angle_coeff @angle:16-91-91 harmonic 55.0 128.0
angle_coeff @angle:89-91-91 harmonic 63.0 85.0
angle_coeff @angle:47-91-91 harmonic 63.0 114.0
angle_coeff @angle:90-91-91 harmonic 80.0 89.0
angle_coeff @angle:13-95-13 harmonic 172.8 120.0
angle_coeff @angle:13-95-46 harmonic 144.0 120.0
angle_coeff @angle:13-101-45 harmonic 35.0 109.5
angle_coeff @angle:45-101-45 harmonic 43.6 106.4
angle_coeff @angle:45-101-48 harmonic 50.0 112.5
angle_coeff @angle:13-101-48 harmonic 50.0 120.5
angle_coeff @angle:13-102-103 harmonic 80.0 117.5
angle_coeff @angle:48-102-103 harmonic 80.0 117.5
angle_coeff @angle:103-102-103 harmonic 80.0 125.0
angle_coeff @angle:25-103-25 harmonic 10.0 109.5
angle_coeff @angle:25-103-102 harmonic 10.0 109.5
angle_coeff @angle:13-104-13 harmonic 45.0 109.5
angle_coeff @angle:3-105-10 harmonic 70.0 117.6
angle_coeff @angle:3-105-13 harmonic 70.0 117.6
angle_coeff @angle:3-105-45 harmonic 35.0 119.2
angle_coeff @angle:45-105-47 harmonic 35.0 119.2
angle_coeff @angle:13-105-47 harmonic 70.0 121.2
angle_coeff @angle:3-105-47 harmonic 70.0 121.6
angle_coeff @angle:3-105-51 harmonic 70.0 117.6
angle_coeff @angle:47-105-51 harmonic 70.0 121.2
angle_coeff @angle:45-105-60 harmonic 30.0 125.8
angle_coeff @angle:6-105-60 harmonic 70.0 125.8
angle_coeff @angle:10-105-60 harmonic 70.0 125.8
angle_coeff @angle:13-105-60 harmonic 70.0 125.8
angle_coeff @angle:51-105-60 harmonic 70.0 125.8
angle_coeff @angle:45-105-62 harmonic 30.0 128.8
angle_coeff @angle:60-105-62 harmonic 70.0 105.4
angle_coeff @angle:6-105-62 harmonic 70.0 128.8
angle_coeff @angle:10-105-62 harmonic 70.0 128.8
angle_coeff @angle:13-105-62 harmonic 70.0 128.8
angle_coeff @angle:51-105-62 harmonic 70.0 128.8
angle_coeff @angle:4-106-24 harmonic 20.0 109.5
angle_coeff @angle:24-106-24 harmonic 20.0 109.5
angle_coeff @angle:13-107-13 harmonic 50.0 118.0
angle_coeff @angle:3-107-13 harmonic 50.0 121.9
angle_coeff @angle:1-108-13 harmonic 35.0 110.5
angle_coeff @angle:13-108-13 harmonic 60.0 110.0
angle_coeff @angle:13-108-20 harmonic 60.0 100.0
angle_coeff @angle:20-108-20 harmonic 60.0 110.0
angle_coeff @angle:13-108-21 harmonic 35.0 110.5
angle_coeff @angle:45-108-45 harmonic 35.0 109.5
angle_coeff @angle:13-108-45 harmonic 35.0 110.5
angle_coeff @angle:46-108-46 harmonic 35.0 109.5
angle_coeff @angle:13-108-46 harmonic 35.0 110.5
angle_coeff @angle:13-108-65 harmonic 35.0 110.5
angle_coeff @angle:13-108-66 harmonic 35.0 110.5
angle_coeff @angle:13-108-108 harmonic 50.0 112.0
angle_coeff @angle:46-109-48 harmonic 35.0 123.3
angle_coeff @angle:46-109-50 harmonic 35.0 120.0
angle_coeff @angle:13-109-50 harmonic 70.0 124.0
angle_coeff @angle:46-109-109 harmonic 35.0 120.0
angle_coeff @angle:13-109-109 harmonic 70.0 124.0
angle_coeff @angle:50-109-109 harmonic 70.0 124.0
angle_coeff @angle:48-109-109 harmonic 85.0 117.0
angle_coeff @angle:4-110-47 harmonic 160.0 180.0
angle_coeff @angle:47-110-47 harmonic 160.0 180.0
} #(end of angle_coeffs)
# Rules for creating angle interactions according to atom type:
# AngleTypeName AtomType1 AtomType2 AtomType3
# (* = wildcard)
write_once("Data Angles By Type") {
@angle:25-1-25 @atom:*_b*_a25_d*_i* @atom:*_b*_a1_d*_i* @atom:*_b*_a25_d*_i*
@angle:1-2-2 @atom:*_b*_a1_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i*
@angle:2-2-2 @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i*
@angle:2-2-3 @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a3_d*_i*
@angle:2-2-5 @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a5_d*_i*
@angle:2-2-6 @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a6_d*_i*
@angle:6-2-6 @atom:*_b*_a6_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a6_d*_i*
@angle:5-2-6 @atom:*_b*_a5_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a6_d*_i*
@angle:2-2-10 @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a10_d*_i*
@angle:3-2-10 @atom:*_b*_a3_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a10_d*_i*
@angle:6-2-10 @atom:*_b*_a6_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a10_d*_i*
@angle:10-2-10 @atom:*_b*_a10_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a10_d*_i*
@angle:5-2-10 @atom:*_b*_a5_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a10_d*_i*
@angle:10-2-12 @atom:*_b*_a10_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a12_d*_i*
@angle:6-2-13 @atom:*_b*_a6_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a13_d*_i*
@angle:10-2-15 @atom:*_b*_a10_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a15_d*_i*
@angle:2-2-16 @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a16_d*_i*
@angle:10-2-16 @atom:*_b*_a10_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a16_d*_i*
@angle:2-2-20 @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a20_d*_i*
@angle:6-2-20 @atom:*_b*_a6_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a20_d*_i*
@angle:10-2-20 @atom:*_b*_a10_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a20_d*_i*
@angle:3-2-24 @atom:*_b*_a3_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a24_d*_i*
@angle:2-2-24 @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a24_d*_i*
@angle:2-2-44 @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a44_d*_i*
@angle:6-2-44 @atom:*_b*_a6_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a44_d*_i*
@angle:10-2-44 @atom:*_b*_a10_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a44_d*_i*
@angle:13-2-44 @atom:*_b*_a13_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a44_d*_i*
@angle:3-2-44 @atom:*_b*_a3_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a44_d*_i*
@angle:2-2-48 @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a48_d*_i*
@angle:10-2-48 @atom:*_b*_a10_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a48_d*_i*
@angle:2-2-51 @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a51_d*_i*
@angle:6-2-51 @atom:*_b*_a6_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a51_d*_i*
@angle:2-2-53 @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a53_d*_i*
@angle:2-2-55 @atom:*_b*_a2_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a55_d*_i*
@angle:10-2-80 @atom:*_b*_a10_d*_i* @atom:*_b*_a2_d*_i* @atom:*_b*_a80_d*_i*
@angle:2-3-4 @atom:*_b*_a2_d*_i* @atom:*_b*_a3_d*_i* @atom:*_b*_a4_d*_i*
@angle:1-3-4 @atom:*_b*_a1_d*_i* @atom:*_b*_a3_d*_i* @atom:*_b*_a4_d*_i*
@angle:3-3-4 @atom:*_b*_a3_d*_i* @atom:*_b*_a3_d*_i* @atom:*_b*_a4_d*_i*
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@angle:48-86-88 @atom:*_b*_a48_d*_i* @atom:*_b*_a86_d*_i* @atom:*_b*_a88_d*_i*
@angle:49-87-60 @atom:*_b*_a49_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a60_d*_i*
@angle:46-87-60 @atom:*_b*_a46_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a60_d*_i*
@angle:13-87-60 @atom:*_b*_a13_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a60_d*_i*
@angle:49-87-84 @atom:*_b*_a49_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a84_d*_i*
@angle:46-87-84 @atom:*_b*_a46_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a84_d*_i*
@angle:84-87-84 @atom:*_b*_a84_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a84_d*_i*
@angle:82-87-84 @atom:*_b*_a82_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a84_d*_i*
@angle:2-87-84 @atom:*_b*_a2_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a84_d*_i*
@angle:13-87-84 @atom:*_b*_a13_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a84_d*_i*
@angle:3-87-84 @atom:*_b*_a3_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a84_d*_i*
@angle:60-87-84 @atom:*_b*_a60_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a84_d*_i*
@angle:84-87-86 @atom:*_b*_a84_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a86_d*_i*
@angle:49-87-87 @atom:*_b*_a49_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a87_d*_i*
@angle:60-87-87 @atom:*_b*_a60_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a87_d*_i*
@angle:84-87-87 @atom:*_b*_a84_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a87_d*_i*
@angle:86-87-87 @atom:*_b*_a86_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a87_d*_i*
@angle:84-87-88 @atom:*_b*_a84_d*_i* @atom:*_b*_a87_d*_i* @atom:*_b*_a88_d*_i*
@angle:48-88-49 @atom:*_b*_a48_d*_i* @atom:*_b*_a88_d*_i* @atom:*_b*_a49_d*_i*
@angle:49-88-61 @atom:*_b*_a49_d*_i* @atom:*_b*_a88_d*_i* @atom:*_b*_a61_d*_i*
@angle:13-88-61 @atom:*_b*_a13_d*_i* @atom:*_b*_a88_d*_i* @atom:*_b*_a61_d*_i*
@angle:19-88-61 @atom:*_b*_a19_d*_i* @atom:*_b*_a88_d*_i* @atom:*_b*_a61_d*_i*
@angle:61-88-87 @atom:*_b*_a61_d*_i* @atom:*_b*_a88_d*_i* @atom:*_b*_a87_d*_i*
@angle:4-89-90 @atom:*_b*_a4_d*_i* @atom:*_b*_a89_d*_i* @atom:*_b*_a90_d*_i*
@angle:90-89-91 @atom:*_b*_a90_d*_i* @atom:*_b*_a89_d*_i* @atom:*_b*_a91_d*_i*
@angle:4-89-91 @atom:*_b*_a4_d*_i* @atom:*_b*_a89_d*_i* @atom:*_b*_a91_d*_i*
@angle:13-90-89 @atom:*_b*_a13_d*_i* @atom:*_b*_a90_d*_i* @atom:*_b*_a89_d*_i*
@angle:89-90-91 @atom:*_b*_a89_d*_i* @atom:*_b*_a90_d*_i* @atom:*_b*_a91_d*_i*
@angle:13-90-91 @atom:*_b*_a13_d*_i* @atom:*_b*_a90_d*_i* @atom:*_b*_a91_d*_i*
@angle:24-91-46 @atom:*_b*_a24_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a46_d*_i*
@angle:13-91-46 @atom:*_b*_a13_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a46_d*_i*
@angle:44-91-46 @atom:*_b*_a44_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a46_d*_i*
@angle:46-91-46 @atom:*_b*_a46_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a46_d*_i*
@angle:16-91-46 @atom:*_b*_a16_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a46_d*_i*
@angle:46-91-47 @atom:*_b*_a46_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a47_d*_i*
@angle:46-91-89 @atom:*_b*_a46_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a89_d*_i*
@angle:24-91-89 @atom:*_b*_a24_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a89_d*_i*
@angle:46-91-90 @atom:*_b*_a46_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a90_d*_i*
@angle:16-91-90 @atom:*_b*_a16_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a90_d*_i*
@angle:91-91-91 @atom:*_b*_a91_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a91_d*_i*
@angle:13-91-91 @atom:*_b*_a13_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a91_d*_i*
@angle:44-91-91 @atom:*_b*_a44_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a91_d*_i*
@angle:46-91-91 @atom:*_b*_a46_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a91_d*_i*
@angle:24-91-91 @atom:*_b*_a24_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a91_d*_i*
@angle:16-91-91 @atom:*_b*_a16_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a91_d*_i*
@angle:89-91-91 @atom:*_b*_a89_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a91_d*_i*
@angle:47-91-91 @atom:*_b*_a47_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a91_d*_i*
@angle:90-91-91 @atom:*_b*_a90_d*_i* @atom:*_b*_a91_d*_i* @atom:*_b*_a91_d*_i*
@angle:13-95-13 @atom:*_b*_a13_d*_i* @atom:*_b*_a95_d*_i* @atom:*_b*_a13_d*_i*
@angle:13-95-46 @atom:*_b*_a13_d*_i* @atom:*_b*_a95_d*_i* @atom:*_b*_a46_d*_i*
@angle:13-101-45 @atom:*_b*_a13_d*_i* @atom:*_b*_a101_d*_i* @atom:*_b*_a45_d*_i*
@angle:45-101-45 @atom:*_b*_a45_d*_i* @atom:*_b*_a101_d*_i* @atom:*_b*_a45_d*_i*
@angle:45-101-48 @atom:*_b*_a45_d*_i* @atom:*_b*_a101_d*_i* @atom:*_b*_a48_d*_i*
@angle:13-101-48 @atom:*_b*_a13_d*_i* @atom:*_b*_a101_d*_i* @atom:*_b*_a48_d*_i*
@angle:13-102-103 @atom:*_b*_a13_d*_i* @atom:*_b*_a102_d*_i* @atom:*_b*_a103_d*_i*
@angle:48-102-103 @atom:*_b*_a48_d*_i* @atom:*_b*_a102_d*_i* @atom:*_b*_a103_d*_i*
@angle:103-102-103 @atom:*_b*_a103_d*_i* @atom:*_b*_a102_d*_i* @atom:*_b*_a103_d*_i*
@angle:25-103-25 @atom:*_b*_a25_d*_i* @atom:*_b*_a103_d*_i* @atom:*_b*_a25_d*_i*
@angle:25-103-102 @atom:*_b*_a25_d*_i* @atom:*_b*_a103_d*_i* @atom:*_b*_a102_d*_i*
@angle:13-104-13 @atom:*_b*_a13_d*_i* @atom:*_b*_a104_d*_i* @atom:*_b*_a13_d*_i*
@angle:3-105-10 @atom:*_b*_a3_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a10_d*_i*
@angle:3-105-13 @atom:*_b*_a3_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a13_d*_i*
@angle:3-105-45 @atom:*_b*_a3_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a45_d*_i*
@angle:45-105-47 @atom:*_b*_a45_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a47_d*_i*
@angle:13-105-47 @atom:*_b*_a13_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a47_d*_i*
@angle:3-105-47 @atom:*_b*_a3_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a47_d*_i*
@angle:3-105-51 @atom:*_b*_a3_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a51_d*_i*
@angle:47-105-51 @atom:*_b*_a47_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a51_d*_i*
@angle:45-105-60 @atom:*_b*_a45_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a60_d*_i*
@angle:6-105-60 @atom:*_b*_a6_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a60_d*_i*
@angle:10-105-60 @atom:*_b*_a10_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a60_d*_i*
@angle:13-105-60 @atom:*_b*_a13_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a60_d*_i*
@angle:51-105-60 @atom:*_b*_a51_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a60_d*_i*
@angle:45-105-62 @atom:*_b*_a45_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a62_d*_i*
@angle:60-105-62 @atom:*_b*_a60_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a62_d*_i*
@angle:6-105-62 @atom:*_b*_a6_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a62_d*_i*
@angle:10-105-62 @atom:*_b*_a10_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a62_d*_i*
@angle:13-105-62 @atom:*_b*_a13_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a62_d*_i*
@angle:51-105-62 @atom:*_b*_a51_d*_i* @atom:*_b*_a105_d*_i* @atom:*_b*_a62_d*_i*
@angle:4-106-24 @atom:*_b*_a4_d*_i* @atom:*_b*_a106_d*_i* @atom:*_b*_a24_d*_i*
@angle:24-106-24 @atom:*_b*_a24_d*_i* @atom:*_b*_a106_d*_i* @atom:*_b*_a24_d*_i*
@angle:13-107-13 @atom:*_b*_a13_d*_i* @atom:*_b*_a107_d*_i* @atom:*_b*_a13_d*_i*
@angle:3-107-13 @atom:*_b*_a3_d*_i* @atom:*_b*_a107_d*_i* @atom:*_b*_a13_d*_i*
@angle:1-108-13 @atom:*_b*_a1_d*_i* @atom:*_b*_a108_d*_i* @atom:*_b*_a13_d*_i*
@angle:13-108-13 @atom:*_b*_a13_d*_i* @atom:*_b*_a108_d*_i* @atom:*_b*_a13_d*_i*
@angle:13-108-20 @atom:*_b*_a13_d*_i* @atom:*_b*_a108_d*_i* @atom:*_b*_a20_d*_i*
@angle:20-108-20 @atom:*_b*_a20_d*_i* @atom:*_b*_a108_d*_i* @atom:*_b*_a20_d*_i*
@angle:13-108-21 @atom:*_b*_a13_d*_i* @atom:*_b*_a108_d*_i* @atom:*_b*_a21_d*_i*
@angle:45-108-45 @atom:*_b*_a45_d*_i* @atom:*_b*_a108_d*_i* @atom:*_b*_a45_d*_i*
@angle:13-108-45 @atom:*_b*_a13_d*_i* @atom:*_b*_a108_d*_i* @atom:*_b*_a45_d*_i*
@angle:46-108-46 @atom:*_b*_a46_d*_i* @atom:*_b*_a108_d*_i* @atom:*_b*_a46_d*_i*
@angle:13-108-46 @atom:*_b*_a13_d*_i* @atom:*_b*_a108_d*_i* @atom:*_b*_a46_d*_i*
@angle:13-108-65 @atom:*_b*_a13_d*_i* @atom:*_b*_a108_d*_i* @atom:*_b*_a65_d*_i*
@angle:13-108-66 @atom:*_b*_a13_d*_i* @atom:*_b*_a108_d*_i* @atom:*_b*_a66_d*_i*
@angle:13-108-108 @atom:*_b*_a13_d*_i* @atom:*_b*_a108_d*_i* @atom:*_b*_a108_d*_i*
@angle:46-109-48 @atom:*_b*_a46_d*_i* @atom:*_b*_a109_d*_i* @atom:*_b*_a48_d*_i*
@angle:46-109-50 @atom:*_b*_a46_d*_i* @atom:*_b*_a109_d*_i* @atom:*_b*_a50_d*_i*
@angle:13-109-50 @atom:*_b*_a13_d*_i* @atom:*_b*_a109_d*_i* @atom:*_b*_a50_d*_i*
@angle:46-109-109 @atom:*_b*_a46_d*_i* @atom:*_b*_a109_d*_i* @atom:*_b*_a109_d*_i*
@angle:13-109-109 @atom:*_b*_a13_d*_i* @atom:*_b*_a109_d*_i* @atom:*_b*_a109_d*_i*
@angle:50-109-109 @atom:*_b*_a50_d*_i* @atom:*_b*_a109_d*_i* @atom:*_b*_a109_d*_i*
@angle:48-109-109 @atom:*_b*_a48_d*_i* @atom:*_b*_a109_d*_i* @atom:*_b*_a109_d*_i*
@angle:4-110-47 @atom:*_b*_a4_d*_i* @atom:*_b*_a110_d*_i* @atom:*_b*_a47_d*_i*
@angle:47-110-47 @atom:*_b*_a47_d*_i* @atom:*_b*_a110_d*_i* @atom:*_b*_a47_d*_i*
} #(end of angles by type)
# ----------- Dihedral Interactions: ------------
# http://lammps.sandia.gov/doc/dihedral_opls.html
# Syntax:
# dihedral_coeff DihedralTypeName DihedralStyle parameters...
write_once("In Settings") {
dihedral_coeff @dihedral:X-2-2-2 opls -2.5 1.25 3.1 0.0
dihedral_coeff @dihedral:X-2-2-6 opls -2.5 1.25 3.1 0.0
dihedral_coeff @dihedral:1-2-2-2 opls -2.0 0.7 3.0 0.0
dihedral_coeff @dihedral:1-2-2-6 opls -2.0 0.7 3.0 0.0
dihedral_coeff @dihedral:2-2-2-2 opls -3.4 1.25 3.1 0.0
dihedral_coeff @dihedral:2-2-2-6 opls -3.4 1.25 3.1 0.0
dihedral_coeff @dihedral:2-2-2-10 opls -3.4 1.25 3.1 0.0
dihedral_coeff @dihedral:2-2-2-13 opls -3.4 1.25 3.1 0.0
dihedral_coeff @dihedral:2-2-2-65 opls -2.0 0.5 3.25 0.0
dihedral_coeff @dihedral:6-2-2-6 opls -3.4 1.25 3.1 0.0
dihedral_coeff @dihedral:6-2-2-65 opls -2.0 0.5 3.25 0.0
dihedral_coeff @dihedral:10-2-2-10 opls -3.4 1.25 3.1 0.0
dihedral_coeff @dihedral:2-2-5-7 opls 0.3 0.0 1.3 0.0
dihedral_coeff @dihedral:6-2-5-7 opls 0.3 0.0 1.3 0.0
dihedral_coeff @dihedral:10-2-5-7 opls 0.3 0.0 1.3 0.0
dihedral_coeff @dihedral:X-2-10-2 opls -2.5 1.25 3.1 0.0
dihedral_coeff @dihedral:2-2-10-2 opls -3.4 1.25 3.1 0.0
dihedral_coeff @dihedral:2-2-13-2 opls -3.4 1.25 3.1 0.0
dihedral_coeff @dihedral:6-2-20-2 opls -7.4 3.0 1.8 0.0
dihedral_coeff @dihedral:6-2-20-6 opls -8.4 3.0 1.8 0.0
dihedral_coeff @dihedral:4-3-3-4 opls 1.6 3.2 0.0 0.0
dihedral_coeff @dihedral:4-3-3-13 opls 0.0 0.5 0.0 0.0
dihedral_coeff @dihedral:4-3-3-24 opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:4-3-3-46 opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:13-3-3-13 opls 0.7 -1.5 0.0 0.0
dihedral_coeff @dihedral:13-3-3-24 opls -0.5 0.2 0.0 0.0
dihedral_coeff @dihedral:13-3-3-46 opls 0.8 -0.76 0.0 0.0
dihedral_coeff @dihedral:24-3-3-46 opls -0.9 0.3 0.0 0.0
dihedral_coeff @dihedral:46-3-3-46 opls 0.0 0.0 0.3 0.0
dihedral_coeff @dihedral:3-3-5-7 opls 3.0 5.5 0.0 0.0
dihedral_coeff @dihedral:4-3-5-7 opls 0.0 5.0 0.0 0.0
dihedral_coeff @dihedral:13-3-5-7 opls 1.5 5.5 0.0 0.0
dihedral_coeff @dihedral:24-3-5-7 opls -2.0 5.0 0.0 0.0
dihedral_coeff @dihedral:46-3-5-7 opls 1.5 5.5 0.0 0.0
dihedral_coeff @dihedral:48-3-5-7 opls 4.0 5.0 0.0 0.0
dihedral_coeff @dihedral:1-3-13-13 opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:1-3-13-46 opls 0.0 0.0 0.36 0.0
dihedral_coeff @dihedral:3-3-13-46 opls 0.0 0.0 0.085 0.0
dihedral_coeff @dihedral:4-3-13-X opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:4-3-13-13 opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:4-3-13-21 opls -0.65 0.0 0.0 0.0
dihedral_coeff @dihedral:4-3-13-44 opls 0.0 0.82 0.0 0.0
dihedral_coeff @dihedral:4-3-13-24 opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:4-3-13-46 opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:4-3-13-48 opls 0.0 0.546 0.0 0.0
dihedral_coeff @dihedral:5-3-13-13 opls 0.0 1.412 0.0 0.0
dihedral_coeff @dihedral:5-3-13-44 opls 5.26 0.82 0.0 0.0
dihedral_coeff @dihedral:5-3-13-46 opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:13-3-13-13 opls 1.454 -0.144 -0.775 0.0
dihedral_coeff @dihedral:13-3-13-46 opls 0.0 0.0 0.275 0.0
dihedral_coeff @dihedral:20-3-13-13 opls 0.0 0.0 -0.553 0.0
dihedral_coeff @dihedral:20-3-13-46 opls 0.0 0.0 0.132 0.0
dihedral_coeff @dihedral:21-3-13-13 opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:21-3-13-46 opls 0.0 0.0 0.36 0.0
dihedral_coeff @dihedral:24-3-13-13 opls 1.173 0.189 -1.2 0.0
dihedral_coeff @dihedral:24-3-13-21 opls 0.65 0.0 0.0 0.0
dihedral_coeff @dihedral:24-3-13-24 opls 1.816 1.222 1.581 0.0
dihedral_coeff @dihedral:24-3-13-46 opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:46-3-13-13 opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:46-3-13-46 opls 0.0 0.0 0.36 0.0
dihedral_coeff @dihedral:48-3-13-46 opls 0.0 0.0 0.275 0.0
dihedral_coeff @dihedral:52-3-13-13 opls 0.0 0.82 0.0 0.0
dihedral_coeff @dihedral:52-3-13-44 opls 0.0 0.82 0.0 0.0
dihedral_coeff @dihedral:52-3-13-46 opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:65-3-13-13 opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:65-3-13-46 opls 0.0 0.0 0.36 0.0
dihedral_coeff @dihedral:107-3-13-46 opls 0.0 0.0 0.0 0.0
dihedral_coeff @dihedral:4-3-20-13 opls 0.0 5.124 0.0 0.0
dihedral_coeff @dihedral:4-3-20-48 opls 0.0 5.0 0.0 0.0
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dihedral_coeff @dihedral:X-57-85-X opls 0.0 5.0 0.0 0.0
dihedral_coeff @dihedral:X-85-85-X opls 0.0 10.75 0.0 0.0
dihedral_coeff @dihedral:13-13-13-20 opls 1.3 -0.05 0.2 0.0
dihedral_coeff @dihedral:13-13-13-47 opls 1.3 -0.05 0.2 0.0
} #(end of dihedral_coeffs)
# Rules for creating dihedral interactions according to atom type:
# DihedralTypeName AtomType1 AtomType2 AtomType3 AtomType4
# (* = wildcard)
write_once("Data Dihedrals By Type") {
@dihedral:X-2-2-2 @atom:* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i*
@dihedral:X-2-2-6 @atom:* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d6_i*
@dihedral:1-2-2-2 @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i*
@dihedral:1-2-2-6 @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d6_i*
@dihedral:2-2-2-2 @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i*
@dihedral:2-2-2-6 @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d6_i*
@dihedral:2-2-2-10 @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d10_i*
@dihedral:2-2-2-13 @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d13_i*
@dihedral:2-2-2-65 @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d65_i*
@dihedral:6-2-2-6 @atom:*_b*_a*_d6_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d6_i*
@dihedral:6-2-2-65 @atom:*_b*_a*_d6_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d65_i*
@dihedral:10-2-2-10 @atom:*_b*_a*_d10_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d10_i*
@dihedral:2-2-5-7 @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d7_i*
@dihedral:6-2-5-7 @atom:*_b*_a*_d6_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d7_i*
@dihedral:10-2-5-7 @atom:*_b*_a*_d10_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d7_i*
@dihedral:X-2-10-2 @atom:* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d10_i* @atom:*_b*_a*_d2_i*
@dihedral:2-2-10-2 @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d10_i* @atom:*_b*_a*_d2_i*
@dihedral:2-2-13-2 @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d2_i*
@dihedral:6-2-20-2 @atom:*_b*_a*_d6_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d2_i*
@dihedral:6-2-20-6 @atom:*_b*_a*_d6_i* @atom:*_b*_a*_d2_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d6_i*
@dihedral:4-3-3-4 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d4_i*
@dihedral:4-3-3-13 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i*
@dihedral:4-3-3-24 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i*
@dihedral:4-3-3-46 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d46_i*
@dihedral:13-3-3-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i*
@dihedral:13-3-3-24 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i*
@dihedral:13-3-3-46 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d46_i*
@dihedral:24-3-3-46 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d46_i*
@dihedral:46-3-3-46 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d46_i*
@dihedral:3-3-5-7 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d7_i*
@dihedral:4-3-5-7 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d7_i*
@dihedral:13-3-5-7 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d7_i*
@dihedral:24-3-5-7 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d7_i*
@dihedral:46-3-5-7 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d7_i*
@dihedral:48-3-5-7 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d7_i*
@dihedral:1-3-13-13 @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:1-3-13-46 @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:3-3-13-46 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:4-3-13-X @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*
@dihedral:4-3-13-13 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:4-3-13-21 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d21_i*
@dihedral:4-3-13-44 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i*
@dihedral:4-3-13-24 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i*
@dihedral:4-3-13-46 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:4-3-13-48 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i*
@dihedral:5-3-13-13 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:5-3-13-44 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i*
@dihedral:5-3-13-46 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:13-3-13-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:13-3-13-46 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:20-3-13-13 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:20-3-13-46 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:21-3-13-13 @atom:*_b*_a*_d21_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:21-3-13-46 @atom:*_b*_a*_d21_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:24-3-13-13 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:24-3-13-21 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d21_i*
@dihedral:24-3-13-24 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i*
@dihedral:24-3-13-46 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:46-3-13-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:46-3-13-46 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:48-3-13-46 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:52-3-13-13 @atom:*_b*_a*_d52_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:52-3-13-44 @atom:*_b*_a*_d52_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i*
@dihedral:52-3-13-46 @atom:*_b*_a*_d52_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:65-3-13-13 @atom:*_b*_a*_d65_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:65-3-13-46 @atom:*_b*_a*_d65_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:107-3-13-46 @atom:*_b*_a*_d107_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:4-3-20-13 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i*
@dihedral:4-3-20-48 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d48_i*
@dihedral:13-3-20-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i*
@dihedral:13-3-20-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d48_i*
@dihedral:24-3-20-13 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i*
@dihedral:46-3-20-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i*
@dihedral:48-3-20-13 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i*
@dihedral:3-3-24-13 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i*
@dihedral:3-3-24-45 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:4-3-24-5 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d5_i*
@dihedral:4-3-24-13 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i*
@dihedral:4-3-24-45 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:4-3-24-47 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d47_i*
@dihedral:4-3-24-48 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d48_i*
@dihedral:4-3-24-91 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d91_i*
@dihedral:5-3-24-13 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i*
@dihedral:5-3-24-45 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:13-3-24-5 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d5_i*
@dihedral:13-3-24-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i*
@dihedral:13-3-24-45 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:13-3-24-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d48_i*
@dihedral:20-3-24-13 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i*
@dihedral:20-3-24-45 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:24-3-24-3 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i*
@dihedral:24-3-24-13 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i*
@dihedral:24-3-24-45 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:46-3-24-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i*
@dihedral:46-3-24-45 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:47-3-24-45 @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:48-3-24-45 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:48-3-24-48 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d48_i*
@dihedral:48-3-24-84 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d84_i*
@dihedral:48-3-24-87 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d87_i*
@dihedral:84-3-24-48 @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d48_i*
@dihedral:84-3-24-84 @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d84_i*
@dihedral:84-3-24-87 @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d87_i*
@dihedral:87-3-24-45 @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:87-3-24-48 @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d48_i*
@dihedral:87-3-24-84 @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d84_i*
@dihedral:87-3-24-87 @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d87_i*
@dihedral:X-3-47-13 @atom:* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d13_i*
@dihedral:4-3-47-46 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:4-3-47-47 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i*
@dihedral:5-3-47-47 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i*
@dihedral:24-3-47-46 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:24-3-47-47 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i*
@dihedral:107-3-47-46 @atom:*_b*_a*_d107_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:107-3-47-47 @atom:*_b*_a*_d107_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i*
@dihedral:4-3-48-48 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:5-3-48-48 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:13-3-48-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:20-3-48-48 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:24-3-48-48 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:46-3-48-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:X-3-50-13 @atom:* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d13_i*
@dihedral:4-3-50-47 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d47_i*
@dihedral:5-3-50-47 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d47_i*
@dihedral:13-3-50-47 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d47_i*
@dihedral:13-3-56-X @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d56_i* @atom:*
@dihedral:13-3-56-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d13_i*
@dihedral:46-3-56-X @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d56_i* @atom:*
@dihedral:46-3-56-45 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d45_i*
@dihedral:X-3-60-X @atom:* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d60_i* @atom:*
@dihedral:4-3-60-X @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d60_i* @atom:*
@dihedral:4-3-82-X @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d82_i* @atom:*
@dihedral:4-3-82-57 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d57_i*
@dihedral:4-3-82-61 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i*
@dihedral:82-3-82-57 @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d57_i*
@dihedral:82-3-82-61 @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i*
@dihedral:4-3-84-20 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d20_i*
@dihedral:4-3-84-87 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d87_i*
@dihedral:84-3-84-20 @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d20_i*
@dihedral:84-3-84-87 @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d87_i*
@dihedral:48-3-86-48 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:X-3-87-X @atom:* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d87_i* @atom:*
@dihedral:4-3-87-84 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d84_i*
@dihedral:4-3-87-87 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d87_i*
@dihedral:24-3-87-84 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d84_i*
@dihedral:24-3-87-87 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d87_i*
@dihedral:4-3-107-13 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d107_i* @atom:*_b*_a*_d13_i*
@dihedral:13-3-107-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d107_i* @atom:*_b*_a*_d13_i*
@dihedral:4-3-109-109 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i*
@dihedral:5-3-109-109 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i*
@dihedral:X-4-106-X @atom:* @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d106_i* @atom:*
@dihedral:7-5-10-2 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d10_i* @atom:*_b*_a*_d2_i*
@dihedral:7-5-10-6 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d10_i* @atom:*_b*_a*_d6_i*
@dihedral:7-5-13-2 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d2_i*
@dihedral:7-5-13-6 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d6_i*
@dihedral:7-5-13-13 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:7-5-13-46 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:7-5-13-47 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i*
@dihedral:7-5-13-48 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i*
@dihedral:7-5-13-50 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d50_i*
@dihedral:7-5-44-13 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d13_i*
@dihedral:7-5-44-45 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d45_i*
@dihedral:7-5-24-3 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i*
@dihedral:7-5-24-45 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:7-5-47-47 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i*
@dihedral:7-5-48-48 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:7-5-51-20 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d51_i* @atom:*_b*_a*_d20_i*
@dihedral:7-5-56-3 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d3_i*
@dihedral:7-5-64-4 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d64_i* @atom:*_b*_a*_d4_i*
@dihedral:7-5-64-5 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d64_i* @atom:*_b*_a*_d5_i*
@dihedral:7-5-79-13 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d13_i*
@dihedral:7-5-79-23 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d23_i*
@dihedral:7-5-79-48 @atom:*_b*_a*_d7_i* @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d48_i*
@dihedral:X-13-13-3 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i*
@dihedral:X-13-13-13 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:X-13-13-24 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i*
@dihedral:1-13-13-1 @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d1_i*
@dihedral:1-13-13-5 @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d5_i*
@dihedral:1-13-13-13 @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:1-13-13-46 @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:3-13-13-3 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d3_i*
@dihedral:3-13-13-5 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d5_i*
@dihedral:3-13-13-13 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:3-13-13-15 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d15_i*
@dihedral:3-13-13-16 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d16_i*
@dihedral:3-13-13-24 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i*
@dihedral:3-13-13-46 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:3-13-13-48 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i*
@dihedral:3-13-13-80 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d80_i*
@dihedral:5-13-13-5 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d5_i*
@dihedral:5-13-13-13 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:5-13-13-20 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i*
@dihedral:5-13-13-44 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i*
@dihedral:5-13-13-24 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i*
@dihedral:5-13-13-46 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:13-13-13-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i*
@dihedral:13-13-13-15 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d15_i*
@dihedral:13-13-13-16 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d16_i*
@dihedral:13-13-13-19 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d19_i*
@dihedral:13-13-13-21 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d21_i*
@dihedral:13-13-13-44 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i*
@dihedral:13-13-13-24 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i*
@dihedral:13-13-13-46 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:13-13-13-51 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d51_i*
@dihedral:13-13-13-53 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i*
@dihedral:13-13-13-65 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d65_i*
@dihedral:13-13-13-66 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d66_i*
@dihedral:13-13-13-79 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d79_i*
@dihedral:13-13-13-107 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d107_i*
@dihedral:13-13-13-108 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d108_i*
@dihedral:15-13-13-46 @atom:*_b*_a*_d15_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:16-13-13-46 @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:19-13-13-46 @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:20-13-13-20 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i*
@dihedral:20-13-13-46 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:21-13-13-21 @atom:*_b*_a*_d21_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d21_i*
@dihedral:21-13-13-44 @atom:*_b*_a*_d21_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i*
@dihedral:21-13-13-46 @atom:*_b*_a*_d21_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:44-13-13-44 @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i*
@dihedral:44-13-13-46 @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:44-13-13-48 @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i*
@dihedral:24-13-13-46 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:24-13-13-48 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i*
@dihedral:24-13-13-80 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d80_i*
@dihedral:46-13-13-46 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d46_i*
@dihedral:46-13-13-47 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i*
@dihedral:46-13-13-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i*
@dihedral:46-13-13-51 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d51_i*
@dihedral:46-13-13-53 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i*
@dihedral:46-13-13-55 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d55_i*
@dihedral:46-13-13-59 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d59_i*
@dihedral:46-13-13-62 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d62_i*
@dihedral:46-13-13-65 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d65_i*
@dihedral:46-13-13-66 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d66_i*
@dihedral:46-13-13-79 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d79_i*
@dihedral:46-13-13-80 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d80_i*
@dihedral:46-13-13-82 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d82_i*
@dihedral:46-13-13-83 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d83_i*
@dihedral:46-13-13-84 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d84_i*
@dihedral:46-13-13-87 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d87_i*
@dihedral:46-13-13-88 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d88_i*
@dihedral:46-13-13-102 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d102_i*
@dihedral:46-13-13-104 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d104_i*
@dihedral:46-13-13-107 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d107_i*
@dihedral:46-13-13-108 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d108_i*
@dihedral:46-13-13-109 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d109_i*
@dihedral:48-13-13-53 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i*
@dihedral:108-13-13-108 @atom:*_b*_a*_d108_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d108_i*
@dihedral:13-13-15-17 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d15_i* @atom:*_b*_a*_d17_i*
@dihedral:46-13-15-17 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d15_i* @atom:*_b*_a*_d17_i*
@dihedral:13-13-16-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d13_i*
@dihedral:13-13-16-16 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d16_i*
@dihedral:46-13-16-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d13_i*
@dihedral:46-13-16-16 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d16_i*
@dihedral:46-13-16-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d48_i*
@dihedral:X-13-18-19 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d18_i* @atom:*_b*_a*_d19_i*
@dihedral:46-13-18-19 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d18_i* @atom:*_b*_a*_d19_i*
@dihedral:X-13-19-18 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d18_i*
@dihedral:X-13-19-19 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d19_i*
@dihedral:13-13-19-19 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d19_i*
@dihedral:46-13-19-19 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d19_i*
@dihedral:X-13-20-13 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i*
@dihedral:56-13-20-13 @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i*
@dihedral:57-13-20-13 @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i*
@dihedral:13-13-20-3 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d3_i*
@dihedral:13-13-20-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i*
@dihedral:13-13-20-64 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d64_i*
@dihedral:46-13-20-X @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*
@dihedral:46-13-20-3 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d3_i*
@dihedral:46-13-20-47 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d47_i*
@dihedral:46-13-20-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d48_i*
@dihedral:46-13-20-51 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d51_i*
@dihedral:46-13-20-64 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d64_i*
@dihedral:X-13-24-45 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:3-13-24-3 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i*
@dihedral:3-13-24-13 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i*
@dihedral:3-13-24-45 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:13-13-24-3 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i*
@dihedral:13-13-24-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i*
@dihedral:13-13-24-45 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:13-13-24-59 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d59_i*
@dihedral:13-13-24-79 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d79_i*
@dihedral:13-13-24-91 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d91_i*
@dihedral:46-13-24-3 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i*
@dihedral:46-13-24-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i*
@dihedral:46-13-24-45 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d45_i*
@dihedral:46-13-24-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d48_i*
@dihedral:46-13-24-79 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d79_i*
@dihedral:48-13-24-59 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d59_i*
@dihedral:13-13-44-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d13_i*
@dihedral:13-13-44-45 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d45_i*
@dihedral:46-13-44-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d13_i*
@dihedral:46-13-44-45 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d45_i*
@dihedral:46-13-44-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d48_i*
@dihedral:X-13-47-13 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d13_i*
@dihedral:X-13-47-46 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:X-13-47-47 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i*
@dihedral:X-13-47-50 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i*
@dihedral:1-13-47-47 @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i*
@dihedral:13-13-47-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d13_i*
@dihedral:13-13-47-47 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i*
@dihedral:13-13-47-50 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i*
@dihedral:46-13-47-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d13_i*
@dihedral:46-13-47-46 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:46-13-47-47 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i*
@dihedral:46-13-47-50 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i*
@dihedral:46-13-47-110 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d110_i*
@dihedral:47-13-47-13 @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d13_i*
@dihedral:47-13-47-46 @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:X-13-48-48 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:1-13-48-48 @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:13-13-48-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:13-13-48-56 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d56_i*
@dihedral:21-13-48-48 @atom:*_b*_a*_d21_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:46-13-48-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:64-13-48-48 @atom:*_b*_a*_d64_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:65-13-48-48 @atom:*_b*_a*_d65_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:X-13-50-47 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d47_i*
@dihedral:13-13-50-50 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d50_i*
@dihedral:46-13-50-47 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d47_i*
@dihedral:46-13-50-50 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d50_i*
@dihedral:46-13-50-109 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d109_i*
@dihedral:13-13-51-X @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d51_i* @atom:*
@dihedral:13-13-51-46 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d51_i* @atom:*_b*_a*_d46_i*
@dihedral:46-13-51-20 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d51_i* @atom:*_b*_a*_d20_i*
@dihedral:13-13-53-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d13_i*
@dihedral:13-13-53-45 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d45_i*
@dihedral:46-13-53-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d13_i*
@dihedral:46-13-53-45 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d45_i*
@dihedral:46-13-53-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d48_i*
@dihedral:46-13-53-54 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d54_i*
@dihedral:13-13-55-45 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d45_i*
@dihedral:13-13-55-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d48_i*
@dihedral:13-13-55-54 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d54_i*
@dihedral:46-13-55-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d13_i*
@dihedral:46-13-55-45 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d45_i*
@dihedral:46-13-55-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d48_i*
@dihedral:13-13-56-18 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d18_i*
@dihedral:X-13-57-X @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d57_i* @atom:*
@dihedral:13-13-57-X @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d57_i* @atom:*
@dihedral:13-13-57-62 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d62_i*
@dihedral:13-13-57-82 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d82_i*
@dihedral:20-13-57-X @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d57_i* @atom:*
@dihedral:20-13-57-62 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d62_i*
@dihedral:20-13-57-82 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d82_i*
@dihedral:13-13-59-X @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d59_i* @atom:*
@dihedral:13-13-59-56 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d59_i* @atom:*_b*_a*_d56_i*
@dihedral:46-13-59-X @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d59_i* @atom:*
@dihedral:13-13-62-X @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d62_i* @atom:*
@dihedral:46-13-62-X @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d62_i* @atom:*
@dihedral:46-13-64-20 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d64_i* @atom:*_b*_a*_d20_i*
@dihedral:46-13-64-52 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d64_i* @atom:*_b*_a*_d52_i*
@dihedral:48-13-64-20 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d64_i* @atom:*_b*_a*_d20_i*
@dihedral:48-13-64-52 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d64_i* @atom:*_b*_a*_d52_i*
@dihedral:X-13-79-23 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d23_i*
@dihedral:X-13-79-24 @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d24_i*
@dihedral:13-13-79-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d13_i*
@dihedral:13-13-79-23 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d23_i*
@dihedral:46-13-79-5 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d5_i*
@dihedral:46-13-79-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d13_i*
@dihedral:46-13-79-23 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d23_i*
@dihedral:46-13-79-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d48_i*
@dihedral:13-13-80-X @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d80_i* @atom:*
@dihedral:13-13-80-60 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d80_i* @atom:*_b*_a*_d60_i*
@dihedral:13-13-80-84 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d80_i* @atom:*_b*_a*_d84_i*
@dihedral:46-13-80-X @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d80_i* @atom:*
@dihedral:46-13-80-60 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d80_i* @atom:*_b*_a*_d60_i*
@dihedral:46-13-80-84 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d80_i* @atom:*_b*_a*_d84_i*
@dihedral:13-13-82-X @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d82_i* @atom:*
@dihedral:46-13-82-X @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d82_i* @atom:*
@dihedral:13-13-83-X @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d83_i* @atom:*
@dihedral:46-13-83-X @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d83_i* @atom:*
@dihedral:1-13-84-X @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:13-13-84-X @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:13-13-84-57 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d57_i*
@dihedral:21-13-84-X @atom:*_b*_a*_d21_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:46-13-84-X @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:1-13-87-X @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d87_i* @atom:*
@dihedral:13-13-87-X @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d87_i* @atom:*
@dihedral:21-13-87-X @atom:*_b*_a*_d21_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d87_i* @atom:*
@dihedral:46-13-87-X @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d87_i* @atom:*
@dihedral:13-13-88-X @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d88_i* @atom:*
@dihedral:46-13-88-X @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d88_i* @atom:*
@dihedral:X-13-90-X @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d90_i* @atom:*
@dihedral:46-13-90-X @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d90_i* @atom:*
@dihedral:46-13-91-91 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i*
@dihedral:13-13-95-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d95_i* @atom:*_b*_a*_d13_i*
@dihedral:13-13-95-46 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d95_i* @atom:*_b*_a*_d46_i*
@dihedral:13-13-102-103 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d102_i* @atom:*_b*_a*_d103_i*
@dihedral:46-13-102-103 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d102_i* @atom:*_b*_a*_d103_i*
@dihedral:13-13-104-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d104_i* @atom:*_b*_a*_d13_i*
@dihedral:46-13-104-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d104_i* @atom:*_b*_a*_d13_i*
@dihedral:X-13-105-X @atom:* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d105_i* @atom:*
@dihedral:13-13-105-X @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d105_i* @atom:*
@dihedral:13-13-105-62 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d105_i* @atom:*_b*_a*_d62_i*
@dihedral:13-13-105-82 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d105_i* @atom:*_b*_a*_d82_i*
@dihedral:20-13-105-X @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d105_i* @atom:*
@dihedral:20-13-105-62 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d105_i* @atom:*_b*_a*_d62_i*
@dihedral:20-13-105-82 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d105_i* @atom:*_b*_a*_d82_i*
@dihedral:3-13-107-13 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d107_i* @atom:*_b*_a*_d13_i*
@dihedral:13-13-107-3 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d107_i* @atom:*_b*_a*_d3_i*
@dihedral:13-13-107-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d107_i* @atom:*_b*_a*_d13_i*
@dihedral:46-13-107-3 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d107_i* @atom:*_b*_a*_d3_i*
@dihedral:46-13-107-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d107_i* @atom:*_b*_a*_d13_i*
@dihedral:46-13-107-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d107_i* @atom:*_b*_a*_d48_i*
@dihedral:13-13-108-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d108_i* @atom:*_b*_a*_d13_i*
@dihedral:13-13-108-45 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d108_i* @atom:*_b*_a*_d45_i*
@dihedral:46-13-108-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d108_i* @atom:*_b*_a*_d13_i*
@dihedral:46-13-108-20 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d108_i* @atom:*_b*_a*_d20_i*
@dihedral:46-13-108-45 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d108_i* @atom:*_b*_a*_d45_i*
@dihedral:13-13-109-109 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i*
@dihedral:46-13-109-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d13_i*
@dihedral:46-13-109-46 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d46_i*
@dihedral:46-13-109-109 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i*
@dihedral:17-15-48-X @atom:*_b*_a*_d17_i* @atom:*_b*_a*_d15_i* @atom:*_b*_a*_d48_i* @atom:*
@dihedral:17-15-48-48 @atom:*_b*_a*_d17_i* @atom:*_b*_a*_d15_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:13-16-16-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d13_i*
@dihedral:13-16-48-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:13-16-48-56 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d56_i*
@dihedral:13-16-59-56 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d59_i* @atom:*_b*_a*_d56_i*
@dihedral:84-16-82-X @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d82_i* @atom:*
@dihedral:84-16-82-61 @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i*
@dihedral:82-16-84-49 @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d49_i*
@dihedral:82-16-84-83 @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d83_i*
@dihedral:82-16-84-88 @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d88_i*
@dihedral:X-16-91-X @atom:* @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d91_i* @atom:*
@dihedral:19-18-48-X @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d18_i* @atom:*_b*_a*_d48_i* @atom:*
@dihedral:19-18-48-48 @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d18_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:18-18-56-13 @atom:*_b*_a*_d18_i* @atom:*_b*_a*_d18_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d13_i*
@dihedral:18-18-56-46 @atom:*_b*_a*_d18_i* @atom:*_b*_a*_d18_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d46_i*
@dihedral:X-19-19-X @atom:* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d19_i* @atom:*
@dihedral:13-19-19-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d13_i*
@dihedral:13-19-19-46 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d46_i*
@dihedral:13-19-19-47 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d47_i*
@dihedral:13-19-19-109 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d109_i*
@dihedral:46-19-19-47 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d47_i*
@dihedral:46-19-19-109 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d109_i*
@dihedral:19-19-47-13 @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d13_i*
@dihedral:19-19-47-46 @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:19-19-47-47 @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i*
@dihedral:13-20-44-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d13_i*
@dihedral:13-20-44-45 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d45_i*
@dihedral:13-20-47-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d13_i*
@dihedral:13-20-47-46 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:13-20-47-47 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i*
@dihedral:13-20-47-50 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i*
@dihedral:3-20-48-48 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:13-20-48-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:13-20-48-56 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d56_i*
@dihedral:64-20-48-48 @atom:*_b*_a*_d64_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:13-20-51-5 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d51_i* @atom:*_b*_a*_d5_i*
@dihedral:13-20-51-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d51_i* @atom:*_b*_a*_d13_i*
@dihedral:13-20-51-20 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d51_i* @atom:*_b*_a*_d20_i*
@dihedral:13-20-51-46 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d51_i* @atom:*_b*_a*_d46_i*
@dihedral:13-20-56-3 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d3_i*
@dihedral:13-20-59-56 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d59_i* @atom:*_b*_a*_d56_i*
@dihedral:X-20-64-52 @atom:* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d64_i* @atom:*_b*_a*_d52_i*
@dihedral:13-20-64-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d64_i* @atom:*_b*_a*_d13_i*
@dihedral:13-20-64-52 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d64_i* @atom:*_b*_a*_d52_i*
@dihedral:48-20-64-4 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d64_i* @atom:*_b*_a*_d4_i*
@dihedral:84-20-82-61 @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i*
@dihedral:82-20-84-88 @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d88_i*
@dihedral:84-20-84-49 @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d49_i*
@dihedral:84-20-84-87 @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d87_i*
@dihedral:108-20-108-13 @atom:*_b*_a*_d108_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d108_i* @atom:*_b*_a*_d13_i*
@dihedral:108-20-108-20 @atom:*_b*_a*_d108_i* @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d108_i* @atom:*_b*_a*_d20_i*
@dihedral:X-24-48-48 @atom:* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:3-24-48-48 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:13-24-48-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:45-24-48-48 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:59-24-48-48 @atom:*_b*_a*_d59_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:82-24-48-48 @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:84-24-48-48 @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:X-24-59-X @atom:* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d59_i* @atom:*
@dihedral:X-24-59-49 @atom:* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d59_i* @atom:*_b*_a*_d49_i*
@dihedral:45-24-59-X @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d59_i* @atom:*
@dihedral:X-24-60-X @atom:* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d60_i* @atom:*
@dihedral:X-24-79-23 @atom:* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d23_i*
@dihedral:13-24-79-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d48_i*
@dihedral:45-24-79-48 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d48_i*
@dihedral:13-24-82-61 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i*
@dihedral:45-24-82-16 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d16_i*
@dihedral:45-24-82-20 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d20_i*
@dihedral:45-24-82-61 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i*
@dihedral:48-24-82-16 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d16_i*
@dihedral:48-24-82-20 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d20_i*
@dihedral:48-24-82-61 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i*
@dihedral:X-24-84-X @atom:* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:3-24-84-84 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d84_i*
@dihedral:45-24-84-16 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d16_i*
@dihedral:45-24-84-20 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d20_i*
@dihedral:48-24-84-16 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d16_i*
@dihedral:48-24-84-20 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d20_i*
@dihedral:3-24-86-48 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:3-24-86-56 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d56_i*
@dihedral:3-24-86-86 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d86_i*
@dihedral:47-24-86-48 @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:47-24-86-56 @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d56_i*
@dihedral:X-24-87-X @atom:* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d87_i* @atom:*
@dihedral:X-24-88-X @atom:* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d88_i* @atom:*
@dihedral:3-24-91-46 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d46_i*
@dihedral:3-24-91-89 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d89_i*
@dihedral:3-24-91-91 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i*
@dihedral:45-24-91-46 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d46_i*
@dihedral:45-24-91-89 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d89_i*
@dihedral:45-24-91-91 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i*
@dihedral:X-24-106-X @atom:* @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d106_i* @atom:*
@dihedral:13-44-44-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d13_i*
@dihedral:13-44-44-45 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d45_i*
@dihedral:45-44-44-45 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d45_i*
@dihedral:13-44-48-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:45-44-48-48 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:59-44-48-48 @atom:*_b*_a*_d59_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:82-44-48-48 @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:84-44-48-48 @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:45-44-82-16 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d16_i*
@dihedral:45-44-82-61 @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i*
@dihedral:48-44-82-16 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d16_i*
@dihedral:48-44-82-61 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i*
@dihedral:47-46-47-13 @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d13_i*
@dihedral:47-46-47-46 @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:X-47-47-X @atom:* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*
@dihedral:X-47-47-19 @atom:* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d19_i*
@dihedral:3-47-47-24 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d24_i*
@dihedral:3-47-47-46 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:5-47-47-13 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d13_i*
@dihedral:5-47-47-46 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:13-47-47-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d13_i*
@dihedral:13-47-47-19 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d19_i*
@dihedral:13-47-47-20 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d20_i*
@dihedral:13-47-47-46 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:19-47-47-46 @atom:*_b*_a*_d19_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:20-47-47-46 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:21-47-47-21 @atom:*_b*_a*_d21_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d21_i*
@dihedral:21-47-47-46 @atom:*_b*_a*_d21_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:46-47-47-46 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d46_i*
@dihedral:46-47-47-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d48_i*
@dihedral:13-47-48-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:46-47-48-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:46-47-48-56 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d56_i*
@dihedral:47-47-48-48 @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:13-47-50-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d13_i*
@dihedral:13-47-50-46 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d46_i*
@dihedral:13-47-50-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d48_i*
@dihedral:13-47-50-50 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d50_i*
@dihedral:13-47-50-109 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d109_i*
@dihedral:24-47-50-3 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d3_i*
@dihedral:46-47-50-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d13_i*
@dihedral:46-47-50-46 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d46_i*
@dihedral:46-47-50-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d48_i*
@dihedral:46-47-50-50 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d50_i*
@dihedral:46-47-50-109 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d109_i*
@dihedral:X-47-84-X @atom:* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:X-47-86-48 @atom:* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:3-47-86-86 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d86_i*
@dihedral:49-47-86-X @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d86_i* @atom:*
@dihedral:49-47-86-24 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d24_i*
@dihedral:X-47-87-X @atom:* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d87_i* @atom:*
@dihedral:X-47-88-X @atom:* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d88_i* @atom:*
@dihedral:13-47-110-47 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d110_i* @atom:*_b*_a*_d47_i*
@dihedral:46-47-110-47 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d110_i* @atom:*_b*_a*_d47_i*
@dihedral:X-48-48-X @atom:* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*
@dihedral:X-48-48-13 @atom:* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d13_i*
@dihedral:X-48-48-48 @atom:* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:X-48-48-49 @atom:* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d49_i*
@dihedral:1-48-48-48 @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:1-48-48-49 @atom:*_b*_a*_d1_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d49_i*
@dihedral:13-48-48-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d13_i*
@dihedral:13-48-48-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:13-48-48-49 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d49_i*
@dihedral:13-48-48-50 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d50_i*
@dihedral:21-48-48-48 @atom:*_b*_a*_d21_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:21-48-48-49 @atom:*_b*_a*_d21_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d49_i*
@dihedral:44-48-48-49 @atom:*_b*_a*_d44_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d49_i*
@dihedral:47-48-48-49 @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d49_i*
@dihedral:48-48-48-48 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i*
@dihedral:48-48-48-49 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d49_i*
@dihedral:48-48-48-50 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d50_i*
@dihedral:48-48-48-55 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d55_i*
@dihedral:48-48-48-60 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d60_i*
@dihedral:48-48-48-65 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d65_i*
@dihedral:48-48-48-66 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d66_i*
@dihedral:48-48-48-86 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i*
@dihedral:48-48-48-109 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d109_i*
@dihedral:49-48-48-49 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d49_i*
@dihedral:49-48-48-50 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d50_i*
@dihedral:49-48-48-60 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d60_i*
@dihedral:49-48-48-65 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d65_i*
@dihedral:49-48-48-66 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d66_i*
@dihedral:49-48-48-86 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i*
@dihedral:49-48-48-109 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d109_i*
@dihedral:56-48-48-86 @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i*
@dihedral:48-48-50-46 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d46_i*
@dihedral:48-48-50-47 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d47_i*
@dihedral:56-48-50-46 @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d46_i*
@dihedral:56-48-50-47 @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d47_i*
@dihedral:48-48-53-13 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d13_i*
@dihedral:48-48-53-54 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d54_i*
@dihedral:X-48-55-45 @atom:* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d45_i*
@dihedral:48-48-55-45 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d45_i*
@dihedral:55-48-55-13 @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d13_i*
@dihedral:55-48-55-45 @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d45_i*
@dihedral:60-48-55-45 @atom:*_b*_a*_d60_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d45_i*
@dihedral:X-48-56-X @atom:* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d56_i* @atom:*
@dihedral:48-48-56-48 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d48_i*
@dihedral:49-48-56-48 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d48_i*
@dihedral:X-48-60-X @atom:* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d60_i* @atom:*
@dihedral:X-48-79-23 @atom:* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d23_i*
@dihedral:48-48-79-13 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d13_i*
@dihedral:48-48-79-24 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d79_i* @atom:*_b*_a*_d24_i*
@dihedral:48-48-86-48 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:48-48-86-56 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d56_i*
@dihedral:48-48-86-86 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d86_i*
@dihedral:49-48-86-48 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:49-48-86-56 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d56_i*
@dihedral:49-48-86-86 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d86_i*
@dihedral:56-48-86-48 @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:56-48-86-86 @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d86_i*
@dihedral:49-48-88-49 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d88_i* @atom:*_b*_a*_d49_i*
@dihedral:56-48-101-13 @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d101_i* @atom:*_b*_a*_d13_i*
@dihedral:48-48-102-103 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d102_i* @atom:*_b*_a*_d103_i*
@dihedral:48-48-109-13 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d13_i*
@dihedral:48-48-109-46 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d46_i*
@dihedral:48-48-109-109 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i*
@dihedral:X-50-50-49 @atom:* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d49_i*
@dihedral:3-50-50-3 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d3_i*
@dihedral:13-50-50-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d13_i*
@dihedral:13-50-50-46 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d46_i*
@dihedral:13-50-50-47 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d47_i*
@dihedral:46-50-50-46 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d46_i*
@dihedral:46-50-50-47 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d47_i*
@dihedral:47-50-50-47 @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d47_i*
@dihedral:13-50-109-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d13_i*
@dihedral:13-50-109-109 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i*
@dihedral:46-50-109-13 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d13_i*
@dihedral:46-50-109-46 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d46_i*
@dihedral:46-50-109-109 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i*
@dihedral:47-50-109-13 @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d13_i*
@dihedral:47-50-109-46 @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d46_i*
@dihedral:47-50-109-109 @atom:*_b*_a*_d47_i* @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i*
@dihedral:13-53-82-61 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i*
@dihedral:48-53-82-61 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i*
@dihedral:45-55-59-X @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d59_i* @atom:*
@dihedral:13-56-56-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d13_i*
@dihedral:13-56-56-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d48_i*
@dihedral:48-56-56-48 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d48_i*
@dihedral:X-56-59-X @atom:* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d59_i* @atom:*
@dihedral:X-56-59-49 @atom:* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d59_i* @atom:*_b*_a*_d49_i*
@dihedral:X-56-60-X @atom:* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d60_i* @atom:*
@dihedral:X-56-62-X @atom:* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d62_i* @atom:*
@dihedral:X-56-82-X @atom:* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d82_i* @atom:*
@dihedral:48-56-86-48 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:48-56-86-86 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d86_i*
@dihedral:X-57-60-X @atom:* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d60_i* @atom:*
@dihedral:45-57-60-X @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d60_i* @atom:*
@dihedral:X-57-61-X @atom:* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d61_i* @atom:*
@dihedral:X-57-62-X @atom:* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d62_i* @atom:*
@dihedral:X-57-81-X @atom:* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d81_i* @atom:*
@dihedral:X-57-82-X @atom:* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d82_i* @atom:*
@dihedral:X-57-82-49 @atom:* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d49_i*
@dihedral:45-57-82-X @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d82_i* @atom:*
@dihedral:X-57-84-X @atom:* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:45-57-84-X @atom:*_b*_a*_d45_i* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:61-57-86-48 @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:84-57-86-48 @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:X-60-60-X @atom:* @atom:*_b*_a*_d60_i* @atom:*_b*_a*_d60_i* @atom:*
@dihedral:X-60-61-X @atom:* @atom:*_b*_a*_d60_i* @atom:*_b*_a*_d61_i* @atom:*
@dihedral:X-60-80-X @atom:* @atom:*_b*_a*_d60_i* @atom:*_b*_a*_d80_i* @atom:*
@dihedral:X-60-81-X @atom:* @atom:*_b*_a*_d60_i* @atom:*_b*_a*_d81_i* @atom:*
@dihedral:X-60-87-X @atom:* @atom:*_b*_a*_d60_i* @atom:*_b*_a*_d87_i* @atom:*
@dihedral:48-60-87-84 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d60_i* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d84_i*
@dihedral:60-60-87-84 @atom:*_b*_a*_d60_i* @atom:*_b*_a*_d60_i* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d84_i*
@dihedral:X-61-61-X @atom:* @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d61_i* @atom:*
@dihedral:X-61-62-X @atom:* @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d62_i* @atom:*
@dihedral:X-61-82-X @atom:* @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d82_i* @atom:*
@dihedral:X-61-82-49 @atom:* @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d49_i*
@dihedral:83-61-82-16 @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d16_i*
@dihedral:88-61-82-16 @atom:*_b*_a*_d88_i* @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d16_i*
@dihedral:88-61-82-20 @atom:*_b*_a*_d88_i* @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d20_i*
@dihedral:X-61-83-X @atom:* @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d83_i* @atom:*
@dihedral:82-61-83-49 @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d49_i*
@dihedral:82-61-83-84 @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d84_i*
@dihedral:X-61-84-X @atom:* @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:X-61-88-X @atom:* @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d88_i* @atom:*
@dihedral:82-61-88-84 @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d88_i* @atom:*_b*_a*_d84_i*
@dihedral:X-80-84-X @atom:* @atom:*_b*_a*_d80_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:X-82-84-X @atom:* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:16-82-86-48 @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:20-82-86-48 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:57-82-86-48 @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:61-82-86-48 @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:X-82-87-X @atom:* @atom:*_b*_a*_d82_i* @atom:*_b*_a*_d87_i* @atom:*
@dihedral:X-83-84-X @atom:* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:X-83-84-49 @atom:* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d49_i*
@dihedral:49-83-84-X @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:49-83-84-16 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d16_i*
@dihedral:49-83-84-49 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d49_i*
@dihedral:61-83-84-16 @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d16_i*
@dihedral:61-83-84-20 @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d20_i*
@dihedral:61-83-84-49 @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d49_i*
@dihedral:X-83-86-48 @atom:* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:61-83-86-48 @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:61-83-87-X @atom:*_b*_a*_d61_i* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d87_i* @atom:*
@dihedral:84-83-87-X @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d83_i* @atom:*_b*_a*_d87_i* @atom:*
@dihedral:X-84-84-X @atom:* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d84_i* @atom:*
@dihedral:X-84-84-49 @atom:* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d49_i*
@dihedral:16-84-84-49 @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d49_i*
@dihedral:49-84-84-49 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d49_i*
@dihedral:X-84-86-48 @atom:* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:16-84-86-48 @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:20-84-86-48 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:57-84-86-48 @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:X-84-87-X @atom:* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d87_i* @atom:*
@dihedral:X-84-87-49 @atom:* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d49_i*
@dihedral:49-84-87-49 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d49_i*
@dihedral:X-84-88-49 @atom:* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d88_i* @atom:*_b*_a*_d49_i*
@dihedral:16-84-88-49 @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d88_i* @atom:*_b*_a*_d49_i*
@dihedral:16-84-88-61 @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d88_i* @atom:*_b*_a*_d61_i*
@dihedral:20-84-88-61 @atom:*_b*_a*_d20_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d88_i* @atom:*_b*_a*_d61_i*
@dihedral:49-84-88-X @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d88_i* @atom:*
@dihedral:49-84-88-61 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d84_i* @atom:*_b*_a*_d88_i* @atom:*_b*_a*_d61_i*
@dihedral:48-86-86-48 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d48_i*
@dihedral:48-86-86-56 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d56_i*
@dihedral:48-86-87-X @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d87_i* @atom:*
@dihedral:48-86-88-X @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d88_i* @atom:*
@dihedral:48-86-88-61 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d88_i* @atom:*_b*_a*_d61_i*
@dihedral:56-86-88-X @atom:*_b*_a*_d56_i* @atom:*_b*_a*_d86_i* @atom:*_b*_a*_d88_i* @atom:*
@dihedral:X-87-87-20 @atom:* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d20_i*
@dihedral:X-87-87-57 @atom:* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d57_i*
@dihedral:X-87-87-87 @atom:* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d87_i*
@dihedral:49-87-87-49 @atom:*_b*_a*_d49_i* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d87_i* @atom:*_b*_a*_d49_i*
@dihedral:4-89-90-13 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d89_i* @atom:*_b*_a*_d90_i* @atom:*_b*_a*_d13_i*
@dihedral:4-89-90-45 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d89_i* @atom:*_b*_a*_d90_i* @atom:*_b*_a*_d45_i*
@dihedral:4-89-90-48 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d89_i* @atom:*_b*_a*_d90_i* @atom:*_b*_a*_d48_i*
@dihedral:4-89-90-91 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d89_i* @atom:*_b*_a*_d90_i* @atom:*_b*_a*_d91_i*
@dihedral:91-89-90-13 @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d89_i* @atom:*_b*_a*_d90_i* @atom:*_b*_a*_d13_i*
@dihedral:91-89-90-45 @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d89_i* @atom:*_b*_a*_d90_i* @atom:*_b*_a*_d45_i*
@dihedral:91-89-90-48 @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d89_i* @atom:*_b*_a*_d90_i* @atom:*_b*_a*_d48_i*
@dihedral:91-89-90-91 @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d89_i* @atom:*_b*_a*_d90_i* @atom:*_b*_a*_d91_i*
@dihedral:X-89-91-X @atom:* @atom:*_b*_a*_d89_i* @atom:*_b*_a*_d91_i* @atom:*
@dihedral:4-89-91-46 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d89_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d46_i*
@dihedral:4-89-91-91 @atom:*_b*_a*_d4_i* @atom:*_b*_a*_d89_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i*
@dihedral:90-89-91-46 @atom:*_b*_a*_d90_i* @atom:*_b*_a*_d89_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d46_i*
@dihedral:90-89-91-91 @atom:*_b*_a*_d90_i* @atom:*_b*_a*_d89_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i*
@dihedral:X-90-91-X @atom:* @atom:*_b*_a*_d90_i* @atom:*_b*_a*_d91_i* @atom:*
@dihedral:X-90-91-46 @atom:* @atom:*_b*_a*_d90_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d46_i*
@dihedral:X-90-91-91 @atom:* @atom:*_b*_a*_d90_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i*
@dihedral:X-91-91-X @atom:* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i* @atom:*
@dihedral:X-91-91-24 @atom:* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d24_i*
@dihedral:13-91-91-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d13_i*
@dihedral:13-91-91-46 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d46_i*
@dihedral:46-91-91-46 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d46_i*
@dihedral:46-91-91-91 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i*
@dihedral:91-91-91-91 @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i* @atom:*_b*_a*_d91_i*
@dihedral:X-109-109-X @atom:* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*
@dihedral:13-109-109-13 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d13_i*
@dihedral:13-109-109-46 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d46_i*
@dihedral:13-109-109-48 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d48_i*
@dihedral:13-109-109-50 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d50_i*
@dihedral:13-109-109-109 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i*
@dihedral:46-109-109-46 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d46_i*
@dihedral:46-109-109-48 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d48_i*
@dihedral:46-109-109-50 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d50_i*
@dihedral:46-109-109-109 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i*
@dihedral:48-109-109-48 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d48_i*
@dihedral:48-109-109-50 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d50_i*
@dihedral:48-109-109-109 @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i*
@dihedral:50-109-109-50 @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d50_i*
@dihedral:50-109-109-109 @atom:*_b*_a*_d50_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i*
@dihedral:109-109-109-109 @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i* @atom:*_b*_a*_d109_i*
@dihedral:24-3-13-53 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i*
@dihedral:52-3-13-24 @atom:*_b*_a*_d52_i* @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d24_i*
@dihedral:3-13-13-53 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i*
@dihedral:3-13-13-83 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d83_i*
@dihedral:3-13-13-84 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d84_i*
@dihedral:3-13-13-85 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d85_i*
@dihedral:5-13-13-53 @atom:*_b*_a*_d5_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i*
@dihedral:15-13-13-53 @atom:*_b*_a*_d15_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i*
@dihedral:16-13-13-53 @atom:*_b*_a*_d16_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i*
@dihedral:13-13-13-55 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d55_i*
@dihedral:24-13-13-83 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d83_i*
@dihedral:53-13-13-83 @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d83_i*
@dihedral:24-13-13-84 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d84_i*
@dihedral:53-13-13-84 @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d84_i*
@dihedral:24-13-13-85 @atom:*_b*_a*_d24_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d85_i*
@dihedral:46-13-13-85 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d85_i*
@dihedral:53-13-13-85 @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d85_i*
@dihedral:3-13-53-13 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d13_i*
@dihedral:3-13-53-54 @atom:*_b*_a*_d3_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d54_i*
@dihedral:13-13-53-54 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d53_i* @atom:*_b*_a*_d54_i*
@dihedral:46-13-55-54 @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d54_i*
@dihedral:13-13-85-X @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d85_i* @atom:*
@dihedral:13-13-85-57 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d85_i* @atom:*_b*_a*_d57_i*
@dihedral:46-13-85-X @atom:*_b*_a*_d46_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d85_i* @atom:*
@dihedral:55-48-55-54 @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d55_i* @atom:*_b*_a*_d54_i*
@dihedral:X-48-81-X @atom:* @atom:*_b*_a*_d48_i* @atom:*_b*_a*_d81_i* @atom:*
@dihedral:X-57-85-X @atom:* @atom:*_b*_a*_d57_i* @atom:*_b*_a*_d85_i* @atom:*
@dihedral:X-85-85-X @atom:* @atom:*_b*_a*_d85_i* @atom:*_b*_a*_d85_i* @atom:*
@dihedral:13-13-13-20 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d20_i*
@dihedral:13-13-13-47 @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d13_i* @atom:*_b*_a*_d47_i*
} #(end of dihedrals by type)
# ---------- Improper Interactions: ----------
# http://lammps.sandia.gov/doc/improper_harmonic.html
# Syntax:
# improper_coeff ImproperTypeName ImproperStyle parameters
write_once("In Settings") {
improper_coeff @improper:X-X-3-4 harmonic 10.5 180.0
improper_coeff @improper:X-X-3-52 harmonic 10.5 180.0
improper_coeff @improper:X-X-24-X harmonic 2.5 180.0
improper_coeff @improper:X-X-47-X harmonic 15.0 180.0
improper_coeff @improper:X-X-48-X harmonic 2.5 180.0
} #(end of improper_coeffs)
# Rules for creating dihedral interactions according to atom type:
# ImproperTypeName AtomType1 AtomType2 AtomType3 AtomType4
# (* = wildcard)
write_once("Data Impropers By Type (opls_imp.py)") {
@improper:X-X-3-4 @atom:* @atom:* @atom:*_b*_a*_d*_i3 @atom:*_b*_a*_d*_i4
@improper:X-X-3-52 @atom:* @atom:* @atom:*_b*_a*_d*_i3 @atom:*_b*_a*_d*_i52
@improper:X-X-24-X @atom:* @atom:* @atom:*_b*_a*_d*_i24 @atom:*
@improper:X-X-47-X @atom:* @atom:* @atom:*_b*_a*_d*_i47 @atom:*
@improper:X-X-48-X @atom:* @atom:* @atom:*_b*_a*_d*_i48 @atom:*
} #(end of impropers by type)
# -------- (descriptive comment) --------
# ---- biologically relevant atom types: ----
# biotype 1 N "Glycine" 180
# biotype 2 CA "Glycine" 165
# biotype 3 C "Glycine" 177
# biotype 4 HN "Glycine" 183
# biotype 5 O "Glycine" 178
# biotype 6 HA "Glycine" 85
# biotype 7 N "Alanine" 180
# biotype 8 CA "Alanine" 166
# biotype 9 C "Alanine" 177
# biotype 10 HN "Alanine" 183
# biotype 11 O "Alanine" 178
# biotype 12 HA "Alanine" 85
# biotype 13 CB "Alanine" 80
# biotype 14 HB "Alanine" 85
# biotype 15 N "Valine" 180
# biotype 16 CA "Valine" 166
# biotype 17 C "Valine" 177
# biotype 18 HN "Valine" 183
# biotype 19 O "Valine" 178
# biotype 20 HA "Valine" 85
# biotype 21 CB "Valine" 82
# biotype 22 HB "Valine" 85
# biotype 23 CG1 "Valine" 80
# biotype 24 HG1 "Valine" 85
# biotype 25 CG2 "Valine" 80
# biotype 26 HG2 "Valine" 85
# biotype 27 N "Leucine" 180
# biotype 28 CA "Leucine" 166
# biotype 29 C "Leucine" 177
# biotype 30 HN "Leucine" 183
# biotype 31 O "Leucine" 178
# biotype 32 HA "Leucine" 85
# biotype 33 CB "Leucine" 81
# biotype 34 HB "Leucine" 85
# biotype 35 CG "Leucine" 82
# biotype 36 HG "Leucine" 85
# biotype 37 CD1 "Leucine" 80
# biotype 38 HD1 "Leucine" 85
# biotype 39 CD2 "Leucine" 80
# biotype 40 HD2 "Leucine" 85
# biotype 41 N "Isoleucine" 180
# biotype 42 CA "Isoleucine" 166
# biotype 43 C "Isoleucine" 177
# biotype 44 HN "Isoleucine" 183
# biotype 45 O "Isoleucine" 178
# biotype 46 HA "Isoleucine" 85
# biotype 47 CB "Isoleucine" 82
# biotype 48 HB "Isoleucine" 85
# biotype 49 CG1 "Isoleucine" 80
# biotype 50 HG1 "Isoleucine" 85
# biotype 51 CG2 "Isoleucine" 81
# biotype 52 HG2 "Isoleucine" 85
# biotype 53 CD "Isoleucine" 80
# biotype 54 HD "Isoleucine" 85
# biotype 55 N "Serine" 180
# biotype 56 CA "Serine" 166
# biotype 57 C "Serine" 177
# biotype 58 HN "Serine" 183
# biotype 59 O "Serine" 178
# biotype 60 HA "Serine" 85
# biotype 61 CB "Serine" 99
# biotype 62 HB "Serine" 85
# biotype 63 OG "Serine" 96
# biotype 64 HG "Serine" 97
# biotype 65 N "Threonine" 180
# biotype 66 CA "Threonine" 166
# biotype 67 C "Threonine" 177
# biotype 68 HN "Threonine" 183
# biotype 69 O "Threonine" 178
# biotype 70 HA "Threonine" 85
# biotype 71 CB "Threonine" 100
# biotype 72 HB "Threonine" 85
# biotype 73 OG1 "Threonine" 96
# biotype 74 HG1 "Threonine" 97
# biotype 75 CG2 "Threonine" 80
# biotype 76 HG2 "Threonine" 85
# biotype 77 N "Cysteine (SH)" 180
# biotype 78 CA "Cysteine (SH)" 166
# biotype 79 C "Cysteine (SH)" 177
# biotype 80 HN "Cysteine (SH)" 183
# biotype 81 O "Cysteine (SH)" 178
# biotype 82 HA "Cysteine (SH)" 85
# biotype 83 CB "Cysteine (SH)" 148
# biotype 84 HB "Cysteine (SH)" 85
# biotype 85 SG "Cysteine (SH)" 142
# biotype 86 HG "Cysteine (SH)" 146
# biotype 87 N "Cystine (SS)" 180
# biotype 88 CA "Cystine (SS)" 166
# biotype 89 C "Cystine (SS)" 177
# biotype 90 HN "Cystine (SS)" 183
# biotype 91 O "Cystine (SS)" 178
# biotype 92 HA "Cystine (SS)" 85
# biotype 93 CB "Cystine (SS)" 156
# biotype 94 HB "Cystine (SS)" 85
# biotype 95 SG "Cystine (SS)" 145
# 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" 181
# biotype 106 CA "Proline" 188
# biotype 107 C "Proline" 177
# biotype 108 O "Proline" 178
# biotype 109 HA "Proline" 85
# biotype 110 CB "Proline" 81
# biotype 111 HB "Proline" 85
# biotype 112 CG "Proline" 81
# biotype 113 HG "Proline" 85
# biotype 114 CD "Proline" 187
# biotype 115 HD "Proline" 85
# biotype 116 N "Phenylalanine" 180
# biotype 117 CA "Phenylalanine" 166
# biotype 118 C "Phenylalanine" 177
# biotype 119 HN "Phenylalanine" 183
# biotype 120 O "Phenylalanine" 178
# biotype 121 HA "Phenylalanine" 85
# biotype 122 CB "Phenylalanine" 94
# biotype 123 HB "Phenylalanine" 85
# biotype 124 CG "Phenylalanine" 90
# biotype 125 CD "Phenylalanine" 90
# biotype 126 HD "Phenylalanine" 91
# biotype 127 CE "Phenylalanine" 90
# biotype 128 HE "Phenylalanine" 91
# biotype 129 CZ "Phenylalanine" 90
# biotype 130 HZ "Phenylalanine" 91
# biotype 131 N "Tyrosine" 180
# biotype 132 CA "Tyrosine" 166
# biotype 133 C "Tyrosine" 177
# biotype 134 HN "Tyrosine" 183
# biotype 135 O "Tyrosine" 178
# biotype 136 HA "Tyrosine" 85
# biotype 137 CB "Tyrosine" 94
# biotype 138 HB "Tyrosine" 85
# biotype 139 CG "Tyrosine" 90
# biotype 140 CD "Tyrosine" 90
# biotype 141 HD "Tyrosine" 91
# biotype 142 CE "Tyrosine" 90
# biotype 143 HE "Tyrosine" 91
# biotype 144 CZ "Tyrosine" 108
# biotype 145 OH "Tyrosine" 109
# biotype 146 HH "Tyrosine" 110
# 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" 180
# biotype 163 CA "Tryptophan" 166
# biotype 164 C "Tryptophan" 177
# biotype 165 HN "Tryptophan" 183
# biotype 166 O "Tryptophan" 178
# biotype 167 HA "Tryptophan" 85
# biotype 168 CB "Tryptophan" 81
# biotype 169 HB "Tryptophan" 85
# biotype 170 CG "Tryptophan" 441
# biotype 171 CD1 "Tryptophan" 455
# biotype 172 HD1 "Tryptophan" 91
# biotype 173 CD2 "Tryptophan" 442
# biotype 174 NE1 "Tryptophan" 444
# biotype 175 HE1 "Tryptophan" 445
# biotype 176 CE2 "Tryptophan" 443
# biotype 177 CE3 "Tryptophan" 90
# biotype 178 HE3 "Tryptophan" 91
# biotype 179 CZ2 "Tryptophan" 90
# biotype 180 HZ2 "Tryptophan" 91
# biotype 181 CZ3 "Tryptophan" 90
# biotype 182 HZ3 "Tryptophan" 91
# biotype 183 CH2 "Tryptophan" 90
# biotype 184 HH2 "Tryptophan" 91
# biotype 185 N "Histidine (+)" 180
# biotype 186 CA "Histidine (+)" 166
# biotype 187 C "Histidine (+)" 177
# biotype 188 HN "Histidine (+)" 183
# biotype 189 O "Histidine (+)" 178
# biotype 190 HA "Histidine (+)" 85
# biotype 191 CB "Histidine (+)" 446
# biotype 192 HB "Histidine (+)" 85
# biotype 193 CG "Histidine (+)" 451
# biotype 194 ND1 "Histidine (+)" 453
# biotype 195 HD1 "Histidine (+)" 454
# biotype 196 CD2 "Histidine (+)" 451
# biotype 197 HD2 "Histidine (+)" 91
# biotype 198 CE1 "Histidine (+)" 450
# biotype 199 HE1 "Histidine (+)" 91
# biotype 200 NE2 "Histidine (+)" 453
# biotype 201 HE2 "Histidine (+)" 454
# biotype 202 N "Histidine (HD)" 180
# biotype 203 CA "Histidine (HD)" 166
# biotype 204 C "Histidine (HD)" 177
# biotype 205 HN "Histidine (HD)" 183
# biotype 206 O "Histidine (HD)" 178
# biotype 207 HA "Histidine (HD)" 85
# biotype 208 CB "Histidine (HD)" 446
# biotype 209 HB "Histidine (HD)" 85
# biotype 210 CG "Histidine (HD)" 449
# biotype 211 ND1 "Histidine (HD)" 444
# biotype 212 HD1 "Histidine (HD)" 445
# biotype 213 CD2 "Histidine (HD)" 448
# biotype 214 HD2 "Histidine (HD)" 91
# biotype 215 CE1 "Histidine (HD)" 447
# biotype 216 HE1 "Histidine (HD)" 91
# biotype 217 NE2 "Histidine (HD)" 452
# biotype 218 N "Histidine (HE)" 180
# biotype 219 CA "Histidine (HE)" 166
# biotype 220 C "Histidine (HE)" 177
# biotype 221 HN "Histidine (HE)" 183
# biotype 222 O "Histidine (HE)" 178
# biotype 223 HA "Histidine (HE)" 85
# biotype 224 CB "Histidine (HE)" 446
# biotype 225 HB "Histidine (HE)" 85
# biotype 226 CG "Histidine (HE)" 448
# biotype 227 ND1 "Histidine (HE)" 452
# biotype 228 CD2 "Histidine (HE)" 449
# biotype 229 HD2 "Histidine (HE)" 91
# biotype 230 CE1 "Histidine (HE)" 447
# biotype 231 HE1 "Histidine (HE)" 91
# biotype 232 NE2 "Histidine (HE)" 444
# biotype 233 HE2 "Histidine (HE)" 445
# biotype 234 N "Aspartic Acid" 180
# biotype 235 CA "Aspartic Acid" 166
# biotype 236 C "Aspartic Acid" 177
# biotype 237 HN "Aspartic Acid" 183
# biotype 238 O "Aspartic Acid" 178
# biotype 239 HA "Aspartic Acid" 85
# biotype 240 CB "Aspartic Acid" 216
# biotype 241 HB "Aspartic Acid" 85
# biotype 242 CG "Aspartic Acid" 213
# biotype 243 OD "Aspartic Acid" 214
# 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" 180
# biotype 257 CA "Asparagine" 166
# biotype 258 C "Asparagine" 177
# biotype 259 HN "Asparagine" 183
# biotype 260 O "Asparagine" 178
# biotype 261 HA "Asparagine" 85
# biotype 262 CB "Asparagine" 81
# biotype 263 HB "Asparagine" 85
# biotype 264 CG "Asparagine" 177
# biotype 265 OD1 "Asparagine" 178
# biotype 266 ND2 "Asparagine" 179
# biotype 267 HD2 "Asparagine" 182
# biotype 268 N "Glutamic Acid" 180
# biotype 269 CA "Glutamic Acid" 166
# biotype 270 C "Glutamic Acid" 177
# biotype 271 HN "Glutamic Acid" 183
# biotype 272 O "Glutamic Acid" 178
# biotype 273 HA "Glutamic Acid" 85
# biotype 274 CB "Glutamic Acid" 81
# biotype 275 HB "Glutamic Acid" 85
# biotype 276 CG "Glutamic Acid" 216
# biotype 277 HG "Glutamic Acid" 85
# biotype 278 CD "Glutamic Acid" 213
# biotype 279 OE "Glutamic Acid" 214
# 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" 180
# biotype 295 CA "Glutamine" 166
# biotype 296 C "Glutamine" 177
# biotype 297 HN "Glutamine" 183
# biotype 298 O "Glutamine" 178
# biotype 299 HA "Glutamine" 85
# biotype 300 CB "Glutamine" 81
# biotype 301 HB "Glutamine" 85
# biotype 302 CG "Glutamine" 81
# biotype 303 HG "Glutamine" 85
# biotype 304 CD "Glutamine" 177
# biotype 305 OE1 "Glutamine" 178
# biotype 306 NE2 "Glutamine" 179
# biotype 307 HE2 "Glutamine" 182
# biotype 308 N "Methionine" 180
# biotype 309 CA "Methionine" 166
# biotype 310 C "Methionine" 177
# biotype 311 HN "Methionine" 183
# biotype 312 O "Methionine" 178
# biotype 313 HA "Methionine" 85
# biotype 314 CB "Methionine" 81
# biotype 315 HB "Methionine" 85
# biotype 316 CG "Methionine" 152
# biotype 317 HG "Methionine" 85
# biotype 318 SD "Methionine" 144
# biotype 319 CE "Methionine" 151
# biotype 320 HE "Methionine" 85
# biotype 321 N "Lysine" 180
# biotype 322 CA "Lysine" 166
# biotype 323 C "Lysine" 177
# biotype 324 HN "Lysine" 183
# biotype 325 O "Lysine" 178
# biotype 326 HA "Lysine" 85
# biotype 327 CB "Lysine" 81
# biotype 328 HB "Lysine" 85
# biotype 329 CG "Lysine" 81
# biotype 330 HG "Lysine" 85
# biotype 331 CD "Lysine" 81
# biotype 332 HD "Lysine" 85
# biotype 333 CE "Lysine" 235
# biotype 334 HE "Lysine" 85
# biotype 335 NZ "Lysine" 230
# biotype 336 HZ "Lysine" 233
# 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" 180
# biotype 354 CA "Arginine" 166
# biotype 355 C "Arginine" 177
# biotype 356 HN "Arginine" 183
# biotype 357 O "Arginine" 178
# biotype 358 HA "Arginine" 85
# biotype 359 CB "Arginine" 81
# biotype 360 HB "Arginine" 85
# biotype 361 CG "Arginine" 251
# biotype 362 HG "Arginine" 85
# biotype 363 CD "Arginine" 250
# biotype 364 HD "Arginine" 85
# biotype 365 NE "Arginine" 246
# biotype 366 HE "Arginine" 247
# biotype 367 CZ "Arginine" 245
# biotype 368 NH "Arginine" 243
# biotype 369 HH "Arginine" 244
# biotype 370 N "Ornithine" 180
# biotype 371 CA "Ornithine" 166
# biotype 372 C "Ornithine" 177
# biotype 373 HN "Ornithine" 183
# biotype 374 O "Ornithine" 178
# biotype 375 HA "Ornithine" 85
# biotype 376 CB "Ornithine" 81
# biotype 377 HB "Ornithine" 85
# biotype 378 CG "Ornithine" 81
# biotype 379 HG "Ornithine" 85
# biotype 380 CD "Ornithine" 235
# biotype 381 HD "Ornithine" 85
# biotype 382 NE "Ornithine" 230
# biotype 383 HE "Ornithine" 233
# biotype 384 N "MethylAlanine (AIB)" 180
# biotype 385 CA "MethylAlanine (AIB)" 167
# biotype 386 C "MethylAlanine (AIB)" 177
# biotype 387 HN "MethylAlanine (AIB)" 183
# biotype 388 O "MethylAlanine (AIB)" 178
# biotype 389 CB "MethylAlanine (AIB)" 80
# biotype 390 HB "MethylAlanine (AIB)" 85
# biotype 391 N "Pyroglutamic Acid" 180
# biotype 392 CA "Pyroglutamic Acid" 166
# biotype 393 C "Pyroglutamic Acid" 177
# biotype 394 HN "Pyroglutamic Acid" 183
# biotype 395 O "Pyroglutamic Acid" 178
# biotype 396 HA "Pyroglutamic Acid" 85
# biotype 397 CB "Pyroglutamic Acid" 81
# biotype 398 HB "Pyroglutamic Acid" 85
# biotype 399 CG "Pyroglutamic Acid" 216
# biotype 400 HG "Pyroglutamic Acid" 85
# biotype 401 CD "Pyroglutamic Acid" 177
# biotype 402 OE "Pyroglutamic Acid" 178
# biotype 403 N "N-Terminal GLY" 230
# biotype 404 CA "N-Terminal GLY" 235
# biotype 405 C "N-Terminal GLY" 177
# biotype 406 HN "N-Terminal GLY" 233
# biotype 407 O "N-Terminal GLY" 178
# biotype 408 HA "N-Terminal GLY" 85
# biotype 409 N "N-Terminal ALA" 230
# biotype 410 CA "N-Terminal ALA" 236
# biotype 411 C "N-Terminal ALA" 177
# biotype 412 HN "N-Terminal ALA" 233
# biotype 413 O "N-Terminal ALA" 178
# biotype 414 HA "N-Terminal ALA" 85
# biotype 415 N "N-Terminal VAL" 230
# biotype 416 CA "N-Terminal VAL" 236
# biotype 417 C "N-Terminal VAL" 177
# biotype 418 HN "N-Terminal VAL" 233
# biotype 419 O "N-Terminal VAL" 178
# biotype 420 HA "N-Terminal VAL" 85
# biotype 421 N "N-Terminal LEU" 230
# biotype 422 CA "N-Terminal LEU" 236
# biotype 423 C "N-Terminal LEU" 177
# biotype 424 HN "N-Terminal LEU" 233
# biotype 425 O "N-Terminal LEU" 178
# biotype 426 HA "N-Terminal LEU" 85
# biotype 427 N "N-Terminal ILE" 230
# biotype 428 CA "N-Terminal ILE" 236
# biotype 429 C "N-Terminal ILE" 177
# biotype 430 HN "N-Terminal ILE" 233
# biotype 431 O "N-Terminal ILE" 178
# biotype 432 HA "N-Terminal ILE" 85
# biotype 433 N "N-Terminal SER" 230
# biotype 434 CA "N-Terminal SER" 236
# biotype 435 C "N-Terminal SER" 177
# biotype 436 HN "N-Terminal SER" 233
# biotype 437 O "N-Terminal SER" 178
# biotype 438 HA "N-Terminal SER" 85
# biotype 439 N "N-Terminal THR" 230
# biotype 440 CA "N-Terminal THR" 236
# biotype 441 C "N-Terminal THR" 177
# biotype 442 HN "N-Terminal THR" 233
# biotype 443 O "N-Terminal THR" 178
# biotype 444 HA "N-Terminal THR" 85
# biotype 445 N "N-Terminal CYS (SH)" 230
# biotype 446 CA "N-Terminal CYS (SH)" 236
# biotype 447 C "N-Terminal CYS (SH)" 177
# biotype 448 HN "N-Terminal CYS (SH)" 233
# biotype 449 O "N-Terminal CYS (SH)" 178
# biotype 450 HA "N-Terminal CYS (SH)" 85
# biotype 451 N "N-Terminal CYX (SS)" 230
# biotype 452 CA "N-Terminal CYX (SS)" 236
# biotype 453 C "N-Terminal CYX (SS)" 177
# biotype 454 HN "N-Terminal CYX (SS)" 233
# biotype 455 O "N-Terminal CYX (SS)" 178
# biotype 456 HA "N-Terminal CYX (SS)" 85
# biotype 457 N "N-Terminal CYD (S-)" -1
# biotype 458 CA "N-Terminal CYD (S-)" -1
# biotype 459 C "N-Terminal CYD (S-)" -1
# biotype 460 HN "N-Terminal CYD (S-)" -1
# biotype 461 O "N-Terminal CYD (S-)" -1
# biotype 462 HA "N-Terminal CYD (S-)" -1
# biotype 463 N "N-Terminal PRO" 252
# biotype 464 CA "N-Terminal PRO" 238
# biotype 465 C "N-Terminal PRO" 177
# biotype 466 HN "N-Terminal PRO" 253
# biotype 467 O "N-Terminal PRO" 178
# biotype 468 HA "N-Terminal PRO" 85
# biotype 469 CD "N-Terminal PRO" 239
# biotype 470 HD "N-Terminal PRO" 85
# biotype 471 N "N-Terminal PHE" 230
# biotype 472 CA "N-Terminal PHE" 236
# biotype 473 C "N-Terminal PHE" 177
# biotype 474 HN "N-Terminal PHE" 233
# biotype 475 O "N-Terminal PHE" 178
# biotype 476 HA "N-Terminal PHE" 85
# biotype 477 N "N-Terminal TYR" 230
# biotype 478 CA "N-Terminal TYR" 236
# biotype 479 C "N-Terminal TYR" 177
# biotype 480 HN "N-Terminal TYR" 233
# biotype 481 O "N-Terminal TYR" 178
# biotype 482 HA "N-Terminal TYR" 85
# biotype 483 N "N-Terminal TYD (O-)" -1
# biotype 484 CA "N-Terminal TYD (O-)" -1
# biotype 485 C "N-Terminal TYD (O-)" -1
# biotype 486 HN "N-Terminal TYD (O-)" -1
# biotype 487 O "N-Terminal TYD (O-)" -1
# biotype 488 HA "N-Terminal TYD (O-)" -1
# biotype 489 N "N-Terminal TRP" 230
# biotype 490 CA "N-Terminal TRP" 236
# biotype 491 C "N-Terminal TRP" 177
# biotype 492 HN "N-Terminal TRP" 233
# biotype 493 O "N-Terminal TRP" 178
# biotype 494 HA "N-Terminal TRP" 85
# biotype 495 N "N-Terminal HIS (+)" 230
# biotype 496 CA "N-Terminal HIS (+)" 236
# biotype 497 C "N-Terminal HIS (+)" 177
# biotype 498 HN "N-Terminal HIS (+)" 233
# biotype 499 O "N-Terminal HIS (+)" 178
# biotype 500 HA "N-Terminal HIS (+)" 85
# biotype 501 N "N-Terminal HIS (HD)" 230
# biotype 502 CA "N-Terminal HIS (HD)" 236
# biotype 503 C "N-Terminal HIS (HD)" 177
# biotype 504 HN "N-Terminal HIS (HD)" 233
# biotype 505 O "N-Terminal HIS (HD)" 178
# biotype 506 HA "N-Terminal HIS (HD)" 85
# biotype 507 N "N-Terminal HIS (HE)" 230
# biotype 508 CA "N-Terminal HIS (HE)" 236
# biotype 509 C "N-Terminal HIS (HE)" 177
# biotype 510 HN "N-Terminal HIS (HE)" 233
# biotype 511 O "N-Terminal HIS (HE)" 178
# biotype 512 HA "N-Terminal HIS (HE)" 85
# biotype 513 N "N-Terminal ASP" 230
# biotype 514 CA "N-Terminal ASP" 236
# biotype 515 C "N-Terminal ASP" 177
# biotype 516 HN "N-Terminal ASP" 233
# biotype 517 O "N-Terminal ASP" 178
# biotype 518 HA "N-Terminal ASP" 85
# biotype 519 N "N-Terminal ASH (COOH)" -1
# biotype 520 CA "N-Terminal ASH (COOH)" -1
# biotype 521 C "N-Terminal ASH (COOH)" -1
# biotype 522 HN "N-Terminal ASH (COOH)" -1
# biotype 523 O "N-Terminal ASH (COOH)" -1
# biotype 524 HA "N-Terminal ASH (COOH)" -1
# biotype 525 N "N-Terminal ASN" 230
# biotype 526 CA "N-Terminal ASN" 236
# biotype 527 C "N-Terminal ASN" 177
# biotype 528 HN "N-Terminal ASN" 233
# biotype 529 O "N-Terminal ASN" 178
# biotype 530 HA "N-Terminal ASN" 85
# biotype 531 N "N-Terminal GLU" 230
# biotype 532 CA "N-Terminal GLU" 236
# biotype 533 C "N-Terminal GLU" 177
# biotype 534 HN "N-Terminal GLU" 233
# biotype 535 O "N-Terminal GLU" 178
# biotype 536 HA "N-Terminal GLU" 85
# biotype 537 N "N-Terminal GLH (COOH)" -1
# biotype 538 CA "N-Terminal GLH (COOH)" -1
# biotype 539 C "N-Terminal GLH (COOH)" -1
# biotype 540 HN "N-Terminal GLH (COOH)" -1
# biotype 541 O "N-Terminal GLH (COOH)" -1
# biotype 542 HA "N-Terminal GLH (COOH)" -1
# biotype 543 N "N-Terminal GLN" 230
# biotype 544 CA "N-Terminal GLN" 236
# biotype 545 C "N-Terminal GLN" 177
# biotype 546 HN "N-Terminal GLN" 233
# biotype 547 O "N-Terminal GLN" 178
# biotype 548 HA "N-Terminal GLN" 85
# biotype 549 N "N-Terminal MET" 230
# biotype 550 CA "N-Terminal MET" 236
# biotype 551 C "N-Terminal MET" 177
# biotype 552 HN "N-Terminal MET" 233
# biotype 553 O "N-Terminal MET" 178
# biotype 554 HA "N-Terminal MET" 85
# biotype 555 N "N-Terminal LYS" 230
# biotype 556 CA "N-Terminal LYS" 236
# biotype 557 C "N-Terminal LYS" 177
# biotype 558 HN "N-Terminal LYS" 233
# biotype 559 O "N-Terminal LYS" 178
# biotype 560 HA "N-Terminal LYS" 85
# biotype 561 N "N-Terminal LYD (NH2)" -1
# biotype 562 CA "N-Terminal LYD (NH2)" -1
# biotype 563 C "N-Terminal LYD (NH2)" -1
# biotype 564 HN "N-Terminal LYD (NH2)" -1
# biotype 565 O "N-Terminal LYD (NH2)" -1
# biotype 566 HA "N-Terminal LYD (NH2)" -1
# biotype 567 N "N-Terminal ARG" 230
# biotype 568 CA "N-Terminal ARG" 236
# biotype 569 C "N-Terminal ARG" 177
# biotype 570 HN "N-Terminal ARG" 233
# biotype 571 O "N-Terminal ARG" 178
# biotype 572 HA "N-Terminal ARG" 85
# biotype 573 N "N-Terminal ORN" 230
# biotype 574 CA "N-Terminal ORN" 236
# biotype 575 C "N-Terminal ORN" 177
# biotype 576 HN "N-Terminal ORN" 233
# biotype 577 O "N-Terminal ORN" 178
# biotype 578 HA "N-Terminal ORN" 85
# biotype 579 N "N-Terminal AIB" 230
# biotype 580 CA "N-Terminal AIB" 237
# biotype 581 C "N-Terminal AIB" 177
# biotype 582 HN "N-Terminal AIB" 233
# biotype 583 O "N-Terminal AIB" 178
# biotype 584 N "C-Terminal GLY" 180
# biotype 585 CA "C-Terminal GLY" 226
# biotype 586 C "C-Terminal GLY" 213
# biotype 587 HN "C-Terminal GLY" 183
# biotype 588 OXT "C-Terminal GLY" 214
# biotype 589 HA "C-Terminal GLY" 85
# biotype 590 N "C-Terminal ALA" 180
# biotype 591 CA "C-Terminal ALA" 225
# biotype 592 C "C-Terminal ALA" 213
# biotype 593 HN "C-Terminal ALA" 183
# biotype 594 OXT "C-Terminal ALA" 214
# biotype 595 HA "C-Terminal ALA" 85
# biotype 596 N "C-Terminal VAL" 180
# biotype 597 CA "C-Terminal VAL" 225
# biotype 598 C "C-Terminal VAL" 213
# biotype 599 HN "C-Terminal VAL" 183
# biotype 600 OXT "C-Terminal VAL" 214
# biotype 601 HA "C-Terminal VAL" 85
# biotype 602 N "C-Terminal LEU" 180
# biotype 603 CA "C-Terminal LEU" 225
# biotype 604 C "C-Terminal LEU" 213
# biotype 605 HN "C-Terminal LEU" 183
# biotype 606 OXT "C-Terminal LEU" 214
# biotype 607 HA "C-Terminal LEU" 85
# biotype 608 N "C-Terminal ILE" 180
# biotype 609 CA "C-Terminal ILE" 225
# biotype 610 C "C-Terminal ILE" 213
# biotype 611 HN "C-Terminal ILE" 183
# biotype 612 OXT "C-Terminal ILE" 214
# biotype 613 HA "C-Terminal ILE" 85
# biotype 614 N "C-Terminal SER" 180
# biotype 615 CA "C-Terminal SER" 225
# biotype 616 C "C-Terminal SER" 213
# biotype 617 HN "C-Terminal SER" 183
# biotype 618 OXT "C-Terminal SER" 214
# biotype 619 HA "C-Terminal SER" 85
# biotype 620 N "C-Terminal THR" 180
# biotype 621 CA "C-Terminal THR" 225
# biotype 622 C "C-Terminal THR" 213
# biotype 623 HN "C-Terminal THR" 183
# biotype 624 OXT "C-Terminal THR" 214
# biotype 625 HA "C-Terminal THR" 85
# biotype 626 N "C-Terminal CYS (SH)" 180
# biotype 627 CA "C-Terminal CYS (SH)" 225
# biotype 628 C "C-Terminal CYS (SH)" 213
# biotype 629 HN "C-Terminal CYS (SH)" 183
# biotype 630 OXT "C-Terminal CYS (SH)" 214
# biotype 631 HA "C-Terminal CYS (SH)" 85
# biotype 632 N "C-Terminal CYX (SS)" 180
# biotype 633 CA "C-Terminal CYX (SS)" 225
# biotype 634 C "C-Terminal CYX (SS)" 213
# biotype 635 HN "C-Terminal CYX (SS)" 183
# biotype 636 OXT "C-Terminal CYX (SS)" 214
# biotype 637 HA "C-Terminal CYX (SS)" 85
# biotype 638 N "C-Terminal CYD (S-)" -1
# biotype 639 CA "C-Terminal CYD (S-)" -1
# biotype 640 C "C-Terminal CYD (S-)" -1
# biotype 641 HN "C-Terminal CYD (S-)" -1
# biotype 642 OXT "C-Terminal CYD (S-)" -1
# biotype 643 HA "C-Terminal CYD (S-)" -1
# biotype 644 N "C-Terminal PRO" 181
# biotype 645 CA "C-Terminal PRO" 228
# biotype 646 C "C-Terminal PRO" 213
# biotype 647 OXT "C-Terminal PRO" 214
# biotype 648 HA "C-Terminal PRO" 85
# biotype 649 N "C-Terminal PHE" 180
# biotype 650 CA "C-Terminal PHE" 225
# biotype 651 C "C-Terminal PHE" 213
# biotype 652 HN "C-Terminal PHE" 183
# biotype 653 OXT "C-Terminal PHE" 214
# biotype 654 HA "C-Terminal PHE" 85
# biotype 655 N "C-Terminal TYR" 180
# biotype 656 CA "C-Terminal TYR" 225
# biotype 657 C "C-Terminal TYR" 213
# biotype 658 HN "C-Terminal TYR" 183
# biotype 659 OXT "C-Terminal TYR" 214
# biotype 660 HA "C-Terminal TYR" 85
# biotype 661 N "C-Terminal TYD (O-)" -1
# biotype 662 CA "C-Terminal TYD (O-)" -1
# biotype 663 C "C-Terminal TYD (O-)" -1
# biotype 664 HN "C-Terminal TYD (O-)" -1
# biotype 665 OXT "C-Terminal TYD (O-)" -1
# biotype 666 HA "C-Terminal TYD (O-)" -1
# biotype 667 N "C-Terminal TRP" 180
# biotype 668 CA "C-Terminal TRP" 225
# biotype 669 C "C-Terminal TRP" 213
# biotype 670 HN "C-Terminal TRP" 183
# biotype 671 OXT "C-Terminal TRP" 214
# biotype 672 HA "C-Terminal TRP" 85
# biotype 673 N "C-Terminal HIS (+)" 180
# biotype 674 CA "C-Terminal HIS (+)" 225
# biotype 675 C "C-Terminal HIS (+)" 213
# biotype 676 HN "C-Terminal HIS (+)" 183
# biotype 677 OXT "C-Terminal HIS (+)" 214
# biotype 678 HA "C-Terminal HIS (+)" 85
# biotype 679 N "C-Terminal HIS (HD)" 180
# biotype 680 CA "C-Terminal HIS (HD)" 225
# biotype 681 C "C-Terminal HIS (HD)" 213
# biotype 682 HN "C-Terminal HIS (HD)" 183
# biotype 683 OXT "C-Terminal HIS (HD)" 214
# biotype 684 HA "C-Terminal HIS (HD)" 85
# biotype 685 N "C-Terminal HIS (HE)" 180
# biotype 686 CA "C-Terminal HIS (HE)" 225
# biotype 687 C "C-Terminal HIS (HE)" 213
# biotype 688 HN "C-Terminal HIS (HE)" 183
# biotype 689 OXT "C-Terminal HIS (HE)" 214
# biotype 690 HA "C-Terminal HIS (HE)" 85
# biotype 691 N "C-Terminal ASP" 180
# biotype 692 CA "C-Terminal ASP" 225
# biotype 693 C "C-Terminal ASP" 213
# biotype 694 HN "C-Terminal ASP" 183
# biotype 695 OXT "C-Terminal ASP" 214
# biotype 696 HA "C-Terminal ASP" 85
# biotype 697 N "C-Terminal ASH (COOH)" -1
# biotype 698 CA "C-Terminal ASH (COOH)" -1
# biotype 699 C "C-Terminal ASH (COOH)" -1
# biotype 700 HN "C-Terminal ASH (COOH)" -1
# biotype 701 OXT "C-Terminal ASH (COOH)" -1
# biotype 702 HA "C-Terminal ASH (COOH)" -1
# biotype 703 N "C-Terminal ASN" 180
# biotype 704 CA "C-Terminal ASN" 225
# biotype 705 C "C-Terminal ASN" 213
# biotype 706 HN "C-Terminal ASN" 183
# biotype 707 OXT "C-Terminal ASN" 214
# biotype 708 HA "C-Terminal ASN" 85
# biotype 709 N "C-Terminal GLU" 180
# biotype 710 CA "C-Terminal GLU" 225
# biotype 711 C "C-Terminal GLU" 213
# biotype 712 HN "C-Terminal GLU" 183
# biotype 713 OXT "C-Terminal GLU" 214
# biotype 714 HA "C-Terminal GLU" 85
# biotype 715 N "C-Terminal GLH (COOH)" -1
# biotype 716 CA "C-Terminal GLH (COOH)" -1
# biotype 717 C "C-Terminal GLH (COOH)" -1
# biotype 718 HN "C-Terminal GLH (COOH)" -1
# biotype 719 OXT "C-Terminal GLH (COOH)" -1
# biotype 720 HA "C-Terminal GLH (COOH)" -1
# biotype 721 N "C-Terminal GLN" 180
# biotype 722 CA "C-Terminal GLN" 225
# biotype 723 C "C-Terminal GLN" 213
# biotype 724 HN "C-Terminal GLN" 183
# biotype 725 OXT "C-Terminal GLN" 214
# biotype 726 HA "C-Terminal GLN" 85
# biotype 727 N "C-Terminal MET" 180
# biotype 728 CA "C-Terminal MET" 225
# biotype 729 C "C-Terminal MET" 213
# biotype 730 HN "C-Terminal MET" 183
# biotype 731 OXT "C-Terminal MET" 214
# biotype 732 HA "C-Terminal MET" 85
# biotype 733 N "C-Terminal LYS" 180
# biotype 734 CA "C-Terminal LYS" 225
# biotype 735 C "C-Terminal LYS" 213
# biotype 736 HN "C-Terminal LYS" 183
# biotype 737 OXT "C-Terminal LYS" 214
# biotype 738 HA "C-Terminal LYS" 85
# biotype 739 N "C-Terminal LYD (NH2)" -1
# biotype 740 CA "C-Terminal LYD (NH2)" -1
# biotype 741 C "C-Terminal LYD (NH2)" -1
# biotype 742 HN "C-Terminal LYD (NH2)" -1
# biotype 743 OXT "C-Terminal LYD (NH2)" -1
# biotype 744 HA "C-Terminal LYD (NH2)" -1
# biotype 745 N "C-Terminal ARG" 180
# biotype 746 CA "C-Terminal ARG" 225
# biotype 747 C "C-Terminal ARG" 213
# biotype 748 HN "C-Terminal ARG" 183
# biotype 749 OXT "C-Terminal ARG" 214
# biotype 750 HA "C-Terminal ARG" 85
# biotype 751 N "C-Terminal ORN" 180
# biotype 752 CA "C-Terminal ORN" 225
# biotype 753 C "C-Terminal ORN" 213
# biotype 754 HN "C-Terminal ORN" 183
# biotype 755 OXT "C-Terminal ORN" 214
# biotype 756 HA "C-Terminal ORN" 85
# biotype 757 N "C-Terminal AIB" 180
# biotype 758 CA "C-Terminal AIB" 227
# biotype 759 C "C-Terminal AIB" 213
# biotype 760 HN "C-Terminal AIB" 183
# biotype 761 OXT "C-Terminal AIB" 214
# biotype 762 N "Deprotonated N-Terminus" -1
# biotype 763 H "Deprotonated N-Terminus" -1
# biotype 764 C "Formyl N-Terminus" 177
# biotype 765 H "Formyl N-Terminus" 221
# biotype 766 O "Formyl N-Terminus" 178
# biotype 767 CH3 "Acetyl N-Terminus" 80
# biotype 768 H "Acetyl N-Terminus" 85
# biotype 769 C "Acetyl N-Terminus" 177
# biotype 770 O "Acetyl N-Terminus" 178
# biotype 771 C "Protonated C-Terminus" -1
# biotype 772 O "Protonated C-Terminus" -1
# biotype 773 OH "Protonated C-Terminus" -1
# biotype 774 HO "Protonated C-Terminus" -1
# biotype 775 N "Amide C-Terminus" 179
# biotype 776 HN "Amide C-Terminus" 182
# biotype 777 N "N-MeAmide C-Terminus" 180
# biotype 778 HN "N-MeAmide C-Terminus" 183
# biotype 779 CH3 "N-MeAmide C-Terminus" 184
# biotype 780 H "N-MeAmide C-Terminus" 85
# biotype 2001 O "Water" 63
# biotype 2002 H "Water" 64
# biotype 2003 NA "Sodium Ion" -1
# biotype 2004 K "Potassium Ion" -1
# biotype 2005 MG "Magnesium Ion" -1
# biotype 2006 CA "Calcium Ion" -1
# biotype 2007 CL "Chloride Ion" -1
# ---------- (end of comment) ----------
# LAMMPS supports many different kinds of bonded and non-bonded
# interactions which can be selected at run time. Eventually
# we must inform LAMMPS which of them we will need. We specify
# this in the "In Init" section:
write_once("In Init") {
units real
atom_style full
bond_style hybrid harmonic
angle_style hybrid harmonic
dihedral_style hybrid opls
improper_style hybrid harmonic
pair_style hybrid lj/cut/coul/long 10.0 10.0
pair_modify mix geometric
special_bonds lj/coul 0.0 0.0 0.5
kspace_style pppm 0.0001
} #end of init parameters
# Note: We use "hybrid" styles in case the user later wishes to
# combine the molecules built using this force-field with other
# molecules that use other styles. (This is not necessarily
# a good idea, but LAMMPS and moltemplate both allow it.)
# For more information:
# http://lammps.sandia.gov/doc/pair_hybrid.html
# http://lammps.sandia.gov/doc/bond_hybrid.html
# http://lammps.sandia.gov/doc/angle_hybrid.html
# http://lammps.sandia.gov/doc/dihedral_hybrid.html
# http://lammps.sandia.gov/doc/improper_hybrid.html
} # OPLSAA
############################### NOTES ####################################
#
# This file was generated (on 2017-7-18) using this script:
#
# tinkerparm2lt.py -name OPLSAA -file oplsaa.prm -dihedral-style opls
#
# The oplsaa.prm file was downloaded from the TINKER website
# https://dasher.wustl.edu/tinker/distribution/params/oplsaa.prm
# (You can build a smaller version of this file by editing the oplsaa.prm
# file and deleting the lines beginning with "atom" that you don't need,
# and subsequently running tinkerparm2lt.py on the new file. This can
# help reduce the number of atom types, which can help with visualization,
# and in some cases may also improve performance.)
#
# The following 1-2, 1-3, and 1-4 weighting parameters were ASSUMED:
# special_bonds lj/coul 0.0 0.0 0.5
# (See http://lammps.sandia.gov/doc/special_bonds.html for details)
#
# WARNING: All Urey-Bradley interactions have been IGNORED including:
# ffid1 ffid2 ffid3 K r0
# ureybrad 35 34 35 38.25 1.5537
#
# WARNING: Many of these atoms are UNITED-ATOM (UA) atoms (#1-56). This means
# the hydrogen atoms have been absorbed into the heavy atoms, and the
# force-field modified accordingly. (Hopefully, moltemplate will
# complain if you attempt to bond these atoms to hydrogen atoms.)
##########################################################################
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