LAMMPS data file. CGCMM style. atom_style full generated by VMD/TopoTools v1.3 on Thu Oct 24 13:51:24 IRST 2013 750 atoms 500 bonds 250 angles 0 dihedrals 0 impropers 2 atom types 1 bond types 1 angle types 0 dihedral types 0 improper types -25.212444 25.847958 xlo xhi -15.606211 15.711988 ylo yhi -25.817894 25.933105 zlo zhi # Pair Coeffs # # 1 H # 2 O # Bond Coeffs # # 1 H-O # Angle Coeffs # # 1 H-O-H Masses 1 1.008000 # H 2 15.999400 # O Atoms 1 48 2 -1.179400 2.028757 1.407889 3.210105 # O CYC 2 48 1 0.589700 1.388756 0.853889 3.579106 # H CYC 3 48 1 0.589700 1.442757 1.808889 2.543106 # H CYC 4 64 2 -1.179400 9.952757 1.472889 -1.432894 # O CYC 5 64 1 0.589700 10.276756 1.434889 -0.486895 # H CYC 6 64 1 0.589700 9.026756 1.833889 -1.343894 # H CYC 7 87 2 -1.179400 0.939756 -0.755111 -4.475894 # O CYC 8 87 1 0.589700 1.221756 -1.697111 -4.437894 # H CYC 9 87 1 0.589700 0.056757 -0.837111 -4.935894 # H CYC 10 111 2 -1.179400 9.704756 0.167889 -4.014894 # O CYC 11 111 1 0.589700 10.039757 0.964889 -4.424894 # H CYC 12 111 1 0.589700 9.526756 0.452889 -3.110894 # H CYC 13 129 2 -1.179400 10.204756 -2.071111 -5.400894 # O CYC 14 129 1 0.589700 10.416756 -2.667111 -4.664894 # H CYC 15 129 1 0.589700 9.935757 -1.224111 -4.925895 # H CYC 16 130 2 -1.179400 8.170757 5.540889 -1.097894 # O CYC 17 130 1 0.589700 7.397757 5.041889 -0.975894 # H CYC 18 130 1 0.589700 8.620756 5.120889 -1.882895 # H CYC 19 131 2 -1.179400 14.692755 -0.867111 -3.917894 # O CYC 20 131 1 0.589700 15.502756 -0.578111 -4.290895 # H CYC 21 131 1 0.589700 14.086756 -0.736111 -4.747894 # H CYC 22 132 2 -1.179400 9.213757 5.439889 3.772106 # O CYC 23 132 1 0.589700 8.987757 4.661890 3.215106 # H CYC 24 132 1 0.589700 8.750757 5.329889 4.599105 # H CYC 25 133 2 -1.179400 13.169756 -5.517111 -3.426894 # O CYC 26 133 1 0.589700 13.476757 -4.755111 -2.996894 # H CYC 27 133 1 0.589700 12.490757 -5.859111 -2.840894 # H CYC 28 134 2 -1.179400 8.101757 3.144889 2.408105 # O CYC 29 134 1 0.589700 7.461756 3.316889 1.729105 # H CYC 30 134 1 0.589700 7.667757 2.624889 3.115105 # H CYC 31 135 2 -1.179400 9.560757 -6.796111 -4.365894 # O CYC 32 135 1 0.589700 9.645756 -6.477111 -3.402894 # H CYC 33 135 1 0.589700 9.021757 -6.113111 -4.751894 # H CYC 34 136 2 -1.179400 3.896757 0.688889 1.358105 # O CYC 35 136 1 0.589700 4.683756 0.482889 1.895106 # H CYC 36 136 1 0.589700 3.280756 1.021889 2.003106 # H CYC 37 137 2 -1.179400 2.681757 -2.749111 3.396105 # O CYC 38 137 1 0.589700 2.387756 -2.164111 2.678106 # H CYC 39 137 1 0.589700 3.095757 -3.463111 2.908105 # H CYC 40 138 2 -1.179400 19.891756 6.179889 4.647106 # O CYC 41 138 1 0.589700 20.017756 6.522890 3.799105 # H CYC 42 138 1 0.589700 18.897757 6.379889 4.831106 # H CYC 43 139 2 -1.179400 4.736757 5.660889 -1.829895 # O CYC 44 139 1 0.589700 4.951757 5.582889 -2.806894 # H CYC 45 139 1 0.589700 4.177757 6.457889 -1.761894 # H CYC 46 140 2 -1.179400 4.438757 6.307889 1.535105 # O CYC 47 140 1 0.589700 5.326757 5.985889 1.788105 # H CYC 48 140 1 0.589700 4.286757 7.056889 2.109106 # H CYC 49 141 2 -1.179400 1.622757 3.134889 -3.794894 # O CYC 50 141 1 0.589700 1.400757 3.316889 -2.865894 # H CYC 51 141 1 0.589700 2.225756 2.354889 -3.801894 # H CYC 52 142 2 -1.179400 1.988756 -1.251111 1.121106 # O CYC 53 142 1 0.589700 1.745756 -1.200111 0.142106 # H CYC 54 142 1 0.589700 2.688757 -0.581111 1.161106 # H CYC 55 143 2 -1.179400 10.207756 7.313889 -0.700894 # O CYC 56 143 1 0.589700 9.328756 7.104889 -1.010894 # H CYC 57 143 1 0.589700 10.679756 6.442889 -0.701894 # H CYC 58 144 2 -1.179400 0.025757 -2.967111 4.160105 # O CYC 59 144 1 0.589700 -0.295244 -3.868111 3.920105 # H CYC 60 144 1 0.589700 0.783756 -2.851111 3.571105 # H CYC 61 145 2 -1.179400 17.090757 -1.665111 -0.542894 # O CYC 62 145 1 0.589700 16.498758 -1.120111 -1.038894 # H CYC 63 145 1 0.589700 16.829756 -2.567111 -0.749895 # H CYC 64 146 2 -1.179400 3.306757 0.262889 6.357106 # O CYC 65 146 1 0.589700 3.855757 -0.243111 5.719105 # H CYC 66 146 1 0.589700 2.449757 -0.116111 6.125105 # H CYC 67 147 2 -1.179400 11.771757 2.014889 -4.203895 # O CYC 68 147 1 0.589700 12.186756 2.403889 -3.431894 # H CYC 69 147 1 0.589700 12.260757 1.204889 -4.379894 # H CYC 70 148 2 -1.179400 10.455757 2.173889 1.509105 # O CYC 71 148 1 0.589700 9.721756 2.735889 1.634105 # H CYC 72 148 1 0.589700 10.144756 1.351889 1.879106 # H CYC 73 149 2 -1.179400 14.708757 -4.162111 0.988105 # O CYC 74 149 1 0.589700 14.736757 -4.695111 1.738105 # H CYC 75 149 1 0.589700 15.211756 -4.696111 0.351105 # H CYC 76 150 2 -1.179400 12.412756 -2.901111 0.140106 # O CYC 77 150 1 0.589700 11.712757 -3.504111 0.519105 # H CYC 78 150 1 0.589700 13.237757 -3.274111 0.546106 # H CYC 79 151 2 -1.179400 14.305758 3.812890 3.387105 # O CYC 80 151 1 0.589700 14.914755 3.516889 2.685106 # H CYC 81 151 1 0.589700 14.207758 4.757889 3.126106 # H CYC 82 152 2 -1.179400 7.207756 2.164889 -2.096894 # O CYC 83 152 1 0.589700 6.642757 2.903889 -2.506895 # H CYC 84 152 1 0.589700 6.596756 1.574889 -1.598895 # H CYC 85 153 2 -1.179400 2.598757 -5.997111 -2.725894 # O CYC 86 153 1 0.589700 2.296757 -6.173111 -3.623894 # H CYC 87 153 1 0.589700 3.496758 -5.699111 -2.885894 # H CYC 88 154 2 -1.179400 15.374758 0.968889 4.209106 # O CYC 89 154 1 0.589700 15.363756 1.953889 4.296106 # H CYC 90 154 1 0.589700 15.355757 0.911890 3.202106 # H CYC 91 155 2 -1.179400 17.757757 -4.347111 -5.040895 # O CYC 92 155 1 0.589700 16.814756 -4.228111 -4.844894 # H CYC 93 155 1 0.589700 17.880758 -5.296111 -5.221894 # H CYC 94 156 2 -1.179400 14.807756 -1.454111 2.100106 # O CYC 95 156 1 0.589700 15.676756 -1.804111 2.393106 # H CYC 96 156 1 0.589700 14.501757 -2.103111 1.448105 # H CYC 97 157 2 -1.179400 3.817757 -4.831111 1.876106 # O CYC 98 157 1 0.589700 4.738756 -4.734111 1.704106 # H CYC 99 157 1 0.589700 3.712757 -5.820111 1.944106 # H CYC 100 158 2 -1.179400 19.306757 -0.356111 2.603106 # O CYC 101 158 1 0.589700 19.953756 0.278889 2.663105 # H CYC 102 158 1 0.589700 18.663755 0.136889 2.108105 # H CYC 103 159 2 -1.179400 18.677755 4.927889 -4.438894 # O CYC 104 159 1 0.589700 18.993757 4.062890 -4.820894 # H CYC 105 159 1 0.589700 18.369757 4.622889 -3.572895 # H CYC 106 160 2 -1.179400 12.071756 5.927889 5.749106 # O CYC 107 160 1 0.589700 12.065756 6.111889 4.804105 # H CYC 108 160 1 0.589700 11.273756 6.357889 5.980106 # H CYC 109 161 2 -1.179400 5.945757 0.110889 3.227106 # O CYC 110 161 1 0.589700 5.381756 -0.461111 3.877105 # H CYC 111 161 1 0.589700 6.836756 -0.144111 3.627105 # H CYC 112 162 2 -1.179400 3.932756 -1.719111 -1.395895 # O CYC 113 162 1 0.589700 4.337757 -2.310111 -2.023894 # H CYC 114 162 1 0.589700 4.687757 -1.651111 -0.784894 # H CYC 115 163 2 -1.179400 2.964756 0.916889 -3.017894 # O CYC 116 163 1 0.589700 3.772757 0.493889 -3.334894 # H CYC 117 163 1 0.589700 2.319757 0.290889 -3.221894 # H CYC 118 164 2 -1.179400 9.308756 4.004889 -2.984894 # O CYC 119 164 1 0.589700 8.552757 3.390889 -2.996894 # H CYC 120 164 1 0.589700 9.811756 3.925889 -3.757895 # H CYC 121 165 2 -1.179400 9.828756 2.107889 4.896105 # O CYC 122 165 1 0.589700 9.333757 2.906889 4.977106 # H CYC 123 165 1 0.589700 10.738756 2.409889 4.918106 # H CYC 124 166 2 -1.179400 12.346756 -4.522111 3.730106 # O CYC 125 166 1 0.589700 12.081757 -4.963111 2.876106 # H CYC 126 166 1 0.589700 13.288757 -4.587111 3.693105 # H CYC 127 167 2 -1.179400 4.728756 1.630889 -1.081894 # O CYC 128 167 1 0.589700 4.000757 1.403889 -1.707894 # H CYC 129 167 1 0.589700 4.217756 1.333889 -0.301894 # H CYC 130 168 2 -1.179400 6.135757 3.701890 0.410105 # O CYC 131 168 1 0.589700 5.385757 4.313889 0.381106 # H CYC 132 168 1 0.589700 5.758757 2.950889 -0.065895 # H CYC 133 169 2 -1.179400 11.391756 -6.515111 -1.476894 # O CYC 134 169 1 0.589700 12.097757 -6.801111 -0.856894 # H CYC 135 169 1 0.589700 11.092756 -5.540111 -1.195894 # H CYC 136 170 2 -1.179400 1.699757 -3.661111 -1.360894 # O CYC 137 170 1 0.589700 1.962757 -4.502111 -1.766894 # H CYC 138 170 1 0.589700 2.497757 -3.096111 -1.370894 # H CYC 139 171 2 -1.179400 19.097757 -6.251111 0.002106 # O CYC 140 171 1 0.589700 19.632757 -5.793111 -0.666894 # H CYC 141 171 1 0.589700 19.045755 -7.204111 -0.319894 # H CYC 142 172 2 -1.179400 4.419756 -5.825111 -5.919894 # O CYC 143 172 1 0.589700 3.975756 -6.326111 -5.184895 # H CYC 144 172 1 0.589700 5.309757 -6.134111 -5.832894 # H CYC 145 173 2 -1.179400 1.787756 -3.931111 6.491106 # O CYC 146 173 1 0.589700 1.392757 -3.298111 5.896105 # H CYC 147 173 1 0.589700 1.993757 -4.724111 5.964105 # H CYC 148 174 2 -1.179400 4.739758 -0.682111 -4.475894 # O CYC 149 174 1 0.589700 5.690756 -0.809111 -4.400894 # H CYC 150 174 1 0.589700 4.487757 -1.480111 -4.984895 # H CYC 151 175 2 -1.179400 11.058756 6.072889 -5.435894 # O CYC 152 175 1 0.589700 11.589756 5.985889 -4.624894 # H CYC 153 175 1 0.589700 11.657757 6.379889 -6.118895 # H CYC 154 176 2 -1.179400 12.688757 6.359890 -3.212894 # O CYC 155 176 1 0.589700 12.138756 5.905889 -2.466895 # H CYC 156 176 1 0.589700 13.656755 6.187890 -2.932894 # H CYC 157 177 2 -1.179400 6.592756 -7.208111 2.733105 # O CYC 158 177 1 0.589700 6.725756 -7.240111 1.738105 # H CYC 159 177 1 0.589700 7.497757 -7.100111 3.007105 # H CYC 160 178 2 -1.179400 15.492758 0.410889 -1.652894 # O CYC 161 178 1 0.589700 14.532755 0.555890 -1.257895 # H CYC 162 178 1 0.589700 15.183756 -0.044111 -2.422894 # H CYC 163 179 2 -1.179400 11.718756 4.970890 -1.048894 # O CYC 164 179 1 0.589700 10.930758 4.450889 -1.313894 # H CYC 165 179 1 0.589700 12.171757 4.430890 -0.441895 # H CYC 166 180 2 -1.179400 6.246758 4.192889 -4.065894 # O CYC 167 180 1 0.589700 5.853756 3.459889 -4.611895 # H CYC 168 180 1 0.589700 6.361757 4.853889 -4.828895 # H CYC 169 181 2 -1.179400 12.811756 3.113889 0.741106 # O CYC 170 181 1 0.589700 11.886757 2.872889 1.071105 # H CYC 171 181 1 0.589700 13.286757 3.503890 1.506106 # H CYC 172 182 2 -1.179400 10.241756 -5.699111 5.371106 # O CYC 173 182 1 0.589700 9.597757 -5.196111 4.915105 # H CYC 174 182 1 0.589700 10.987757 -5.269111 4.791106 # H CYC 175 183 2 -1.179400 14.054758 -2.497111 6.024106 # O CYC 176 183 1 0.589700 13.914755 -1.484111 5.833106 # H CYC 177 183 1 0.589700 13.143757 -2.724111 6.185106 # H CYC 178 184 2 -1.179400 6.807756 -2.928111 -5.022894 # O CYC 179 184 1 0.589700 7.591757 -2.854111 -5.561894 # H CYC 180 184 1 0.589700 6.061756 -2.925111 -5.650894 # H CYC 181 185 2 -1.179400 10.478756 -3.285111 -2.947895 # O CYC 182 185 1 0.589700 11.331757 -3.076111 -2.490894 # H CYC 183 185 1 0.589700 9.850756 -3.010111 -2.280894 # H CYC 184 186 2 -1.179400 13.145756 -2.812111 -2.464894 # O CYC 185 186 1 0.589700 13.345757 -2.795111 -1.514894 # H CYC 186 186 1 0.589700 13.400757 -1.942111 -2.770895 # H CYC 187 187 2 -1.179400 16.700758 -4.036111 -2.216895 # O CYC 188 187 1 0.589700 17.473757 -4.002111 -2.820894 # H CYC 189 187 1 0.589700 16.675756 -5.011111 -2.011894 # H CYC 190 188 2 -1.179400 2.452757 3.722889 -0.464894 # O CYC 191 188 1 0.589700 3.182756 3.636889 -1.066895 # H CYC 192 188 1 0.589700 2.482756 4.667889 -0.289895 # H CYC 193 189 2 -1.179400 13.547758 2.564889 -2.049894 # O CYC 194 189 1 0.589700 14.251757 3.091889 -1.666894 # H CYC 195 189 1 0.589700 12.968756 2.422889 -1.326894 # H CYC 196 190 2 -1.179400 13.969755 6.380889 2.631106 # O CYC 197 190 1 0.589700 14.440756 6.935889 1.966106 # H CYC 198 190 1 0.589700 13.099756 6.813889 2.694106 # H CYC 199 191 2 -1.179400 11.551756 -2.012111 3.985106 # O CYC 200 191 1 0.589700 11.662756 -2.964111 3.791106 # H CYC 201 191 1 0.589700 12.431757 -1.722111 4.082105 # H CYC 202 192 2 -1.179400 2.395756 4.382889 3.651105 # O CYC 203 192 1 0.589700 2.768757 5.059889 3.104105 # H CYC 204 192 1 0.589700 3.215757 4.146889 4.120105 # H CYC 205 193 2 -1.179400 16.625757 -0.542111 6.291106 # O CYC 206 193 1 0.589700 16.313757 -0.155111 5.512105 # H CYC 207 193 1 0.589700 16.966757 -1.389111 5.967105 # H CYC 208 194 2 -1.179400 17.605757 -7.061111 5.039106 # O CYC 209 194 1 0.589700 18.103758 -7.295111 5.875105 # H CYC 210 194 1 0.589700 17.681757 -6.070111 4.961106 # H CYC 211 195 2 -1.179400 9.328756 -1.831111 -0.660894 # O CYC 212 195 1 0.589700 9.433756 -0.882111 -0.862895 # H CYC 213 195 1 0.589700 10.075756 -2.047111 -0.109894 # H CYC 214 196 2 -1.179400 7.159756 -3.918111 -0.718894 # O CYC 215 196 1 0.589700 7.828756 -3.211111 -0.606894 # H CYC 216 196 1 0.589700 6.348757 -3.602111 -0.249895 # H CYC 217 197 2 -1.179400 7.837757 -3.921111 5.116106 # O CYC 218 197 1 0.589700 7.713757 -3.138111 5.736105 # H CYC 219 197 1 0.589700 7.233757 -4.537111 5.533105 # H CYC 220 198 2 -1.179400 12.317757 3.074889 5.358105 # O CYC 221 198 1 0.589700 13.103756 3.152889 4.863105 # H CYC 222 198 1 0.589700 12.161757 4.036890 5.497105 # H CYC 223 199 2 -1.179400 13.148756 0.037889 5.768106 # O CYC 224 199 1 0.589700 12.487757 0.636889 6.214105 # H CYC 225 199 1 0.589700 13.735758 0.592889 5.240105 # H CYC 226 200 2 -1.179400 19.766756 5.736889 0.225106 # O CYC 227 200 1 0.589700 18.912756 5.260890 0.512105 # H CYC 228 200 1 0.589700 19.966757 6.297889 1.031106 # H CYC 229 201 2 -1.179400 19.673758 2.133889 5.215106 # O CYC 230 201 1 0.589700 20.296755 1.452889 5.437106 # H CYC 231 201 1 0.589700 20.003756 2.876889 5.683106 # H CYC 232 202 2 -1.179400 8.294756 -3.350111 2.395106 # O CYC 233 202 1 0.589700 8.655756 -2.435111 2.394105 # H CYC 234 202 1 0.589700 8.004757 -3.695111 3.242106 # H CYC 235 203 2 -1.179400 5.717756 -2.292111 1.036106 # O CYC 236 203 1 0.589700 6.588757 -2.600111 1.418106 # H CYC 237 203 1 0.589700 5.399757 -1.617111 1.697106 # H CYC 238 204 2 -1.179400 17.929758 -2.787111 2.002105 # O CYC 239 204 1 0.589700 18.604757 -2.114111 2.149106 # H CYC 240 204 1 0.589700 17.641756 -2.692111 1.074106 # H CYC 241 205 2 -1.179400 18.671755 -1.677111 -4.733894 # O CYC 242 205 1 0.589700 18.280756 -2.548111 -4.700894 # H CYC 243 205 1 0.589700 18.594755 -1.354111 -3.832894 # H CYC 244 206 2 -1.179400 17.915758 1.553889 -1.802895 # O CYC 245 206 1 0.589700 17.064756 1.184889 -1.905894 # H CYC 246 206 1 0.589700 17.872755 2.496890 -1.793894 # H CYC 247 207 2 -1.179400 17.688757 -5.463111 2.161106 # O CYC 248 207 1 0.589700 17.936758 -4.521111 2.104105 # H CYC 249 207 1 0.589700 18.066755 -5.869111 1.331106 # H CYC 250 208 2 -1.179400 17.069757 4.823889 -1.673894 # O CYC 251 208 1 0.589700 16.607756 5.658889 -1.805894 # H CYC 252 208 1 0.589700 17.282755 4.865889 -0.790895 # H CYC 253 209 2 -1.179400 15.020758 -5.611111 3.355106 # O CYC 254 209 1 0.589700 15.977758 -5.882111 3.310106 # H CYC 255 209 1 0.589700 14.527758 -6.262111 3.952106 # H CYC 256 210 2 -1.179400 15.848757 5.686889 -4.462894 # O CYC 257 210 1 0.589700 16.758757 5.584889 -4.870894 # H CYC 258 210 1 0.589700 15.560755 6.659889 -4.756894 # H CYC 259 211 2 -1.179400 10.594757 -5.163111 1.537106 # O CYC 260 211 1 0.589700 10.669756 -6.078111 1.732106 # H CYC 261 211 1 0.589700 9.701757 -4.957111 1.762105 # H CYC 262 212 2 -1.179400 19.875757 7.195889 -5.356894 # O CYC 263 212 1 0.589700 20.799757 7.360889 -5.004894 # H CYC 264 212 1 0.589700 19.425756 6.653889 -4.698895 # H CYC 265 213 2 -1.179400 17.616758 3.533889 3.700105 # O CYC 266 213 1 0.589700 18.366758 3.126889 4.113105 # H CYC 267 213 1 0.589700 17.589758 3.154890 2.798106 # H CYC 268 214 2 -1.179400 9.685757 -0.787111 2.469105 # O CYC 269 214 1 0.589700 9.088757 -0.221111 2.967105 # H CYC 270 214 1 0.589700 10.355757 -1.019111 3.128106 # H CYC 271 215 2 -1.179400 17.095758 5.323889 1.003106 # O CYC 272 215 1 0.589700 17.384756 5.223889 1.969105 # H CYC 273 215 1 0.589700 16.438757 6.046889 1.028105 # H CYC 274 216 2 -1.179400 18.616758 2.407889 1.105106 # O CYC 275 216 1 0.589700 18.814756 1.774889 0.369106 # H CYC 276 216 1 0.589700 19.504755 2.696889 1.410105 # H CYC 277 217 2 -1.179400 17.215757 -2.779111 4.784106 # O CYC 278 217 1 0.589700 17.196756 -3.514111 5.460105 # H CYC 279 217 1 0.589700 16.982756 -3.263111 3.996106 # H CYC 280 218 2 -1.179400 13.314756 0.293890 0.225106 # O CYC 281 218 1 0.589700 13.636755 -0.298111 0.927105 # H CYC 282 218 1 0.589700 13.164757 1.152889 0.704106 # H CYC 283 219 2 -1.179400 19.798758 -1.733111 5.006106 # O CYC 284 219 1 0.589700 19.028757 -2.277111 5.301106 # H CYC 285 219 1 0.589700 19.456758 -1.227111 4.179105 # H CYC 286 220 2 -1.179400 20.247755 -6.311111 3.406106 # O CYC 287 220 1 0.589700 20.792757 -5.596111 3.823105 # H CYC 288 220 1 0.589700 19.726755 -5.803111 2.759105 # H CYC 289 221 2 -1.179400 8.178757 -0.126111 4.871106 # O CYC 290 221 1 0.589700 8.017757 -0.730111 5.659106 # H CYC 291 221 1 0.589700 8.833757 0.566889 5.112106 # H CYC 292 222 2 -1.179400 19.229757 -1.003111 -2.112895 # O CYC 293 222 1 0.589700 18.874758 -0.034111 -1.959894 # H CYC 294 222 1 0.589700 18.832758 -1.505111 -1.390894 # H CYC 295 223 2 -1.179400 8.773756 6.979889 -4.439895 # O CYC 296 223 1 0.589700 9.632757 6.766889 -4.870894 # H CYC 297 223 1 0.589700 8.443756 6.129889 -4.319894 # H CYC 298 224 2 -1.179400 19.221758 1.104889 -5.327894 # O CYC 299 224 1 0.589700 18.986757 0.154889 -5.149895 # H CYC 300 224 1 0.589700 18.415758 1.596889 -5.213894 # H CYC 301 225 2 -1.179400 15.176756 -4.143111 -4.770894 # O CYC 302 225 1 0.589700 15.115755 -3.459111 -4.059895 # H CYC 303 225 1 0.589700 14.343756 -4.640111 -4.629894 # H CYC 304 226 2 -1.179400 15.786757 2.141889 1.262105 # O CYC 305 226 1 0.589700 15.522757 1.601889 0.515106 # H CYC 306 226 1 0.589700 16.582758 2.584889 1.097106 # H CYC 307 227 2 -1.179400 2.358757 -6.487111 5.369106 # O CYC 308 227 1 0.589700 2.968756 -6.936111 4.753106 # H CYC 309 227 1 0.589700 1.474756 -6.880111 5.222106 # H CYC 310 228 2 -1.179400 5.533756 2.365889 -6.054894 # O CYC 311 228 1 0.589700 6.232756 1.684889 -5.747894 # H CYC 312 228 1 0.589700 4.737757 1.827889 -6.222895 # H CYC 313 229 2 -1.179400 5.418756 -3.767111 -2.714894 # O CYC 314 229 1 0.589700 6.010757 -3.599111 -3.469894 # H CYC 315 229 1 0.589700 6.085756 -4.028111 -2.040895 # H CYC 316 230 2 -1.179400 4.428757 4.248889 5.575105 # O CYC 317 230 1 0.589700 4.590757 5.204889 5.601105 # H CYC 318 230 1 0.589700 4.892757 3.968889 6.359106 # H CYC 319 231 2 -1.179400 1.457756 6.027889 0.758106 # O CYC 320 231 1 0.589700 1.997757 6.624889 1.318105 # H CYC 321 231 1 0.589700 0.918756 5.584889 1.424105 # H CYC 322 232 2 -1.179400 -0.033243 -4.655111 0.695106 # O CYC 323 232 1 0.589700 0.766756 -4.246111 0.284106 # H CYC 324 232 1 0.589700 -0.668243 -4.007111 0.511106 # H CYC 325 233 2 -1.179400 -0.272243 -0.070111 2.721106 # O CYC 326 233 1 0.589700 -0.519243 -0.957111 2.676106 # H CYC 327 233 1 0.589700 0.074757 0.126889 1.837105 # H CYC 328 234 2 -1.179400 0.191757 4.883889 -5.481894 # O CYC 329 234 1 0.589700 -0.098244 4.263889 -6.150894 # H CYC 330 234 1 0.589700 0.568756 4.347889 -4.790895 # H CYC 331 235 2 -1.179400 1.556757 -3.514111 -5.218894 # O CYC 332 235 1 0.589700 1.979757 -4.044111 -5.858894 # H CYC 333 235 1 0.589700 0.834757 -4.030111 -5.003894 # H CYC 334 236 2 -1.179400 2.716757 0.662889 -6.102894 # O CYC 335 236 1 0.589700 1.825756 0.410889 -5.841894 # H CYC 336 236 1 0.589700 3.167757 0.338890 -5.325894 # H CYC 337 237 2 -1.179400 0.840757 -0.900111 5.820106 # O CYC 338 237 1 0.589700 0.238756 -0.186111 5.630105 # H CYC 339 237 1 0.589700 0.475756 -1.609111 5.134105 # H CYC 340 238 2 -1.179400 0.592756 1.948889 0.754106 # O CYC 341 238 1 0.589700 0.611757 1.269889 0.025105 # H CYC 342 238 1 0.589700 1.334757 2.516889 0.561105 # H CYC 343 239 2 -1.179400 6.850756 -7.016111 -2.940895 # O CYC 344 239 1 0.589700 6.914757 -7.097111 -3.915895 # H CYC 345 239 1 0.589700 5.906757 -7.202111 -2.888895 # H CYC 346 240 2 -1.179400 0.411757 -0.356111 -1.340894 # O CYC 347 240 1 0.589700 0.479757 -0.334111 -2.281894 # H CYC 348 240 1 0.589700 -0.363243 -0.887111 -1.116894 # H CYC 349 241 2 -1.179400 4.557756 -1.681111 5.038105 # O CYC 350 241 1 0.589700 3.782757 -2.103111 4.548106 # H CYC 351 241 1 0.589700 4.842756 -2.450111 5.600106 # H CYC 352 242 2 -1.179400 15.606756 -6.285111 -0.633894 # O CYC 353 242 1 0.589700 16.370756 -6.897111 -0.540895 # H CYC 354 242 1 0.589700 14.874758 -6.801111 -0.269895 # H CYC 355 243 2 -1.179400 7.112757 6.971889 1.108105 # O CYC 356 243 1 0.589700 6.383757 7.280889 0.574106 # H CYC 357 243 1 0.589700 7.472757 6.277889 0.507105 # H CYC 358 244 2 -1.179400 -0.046244 4.137889 4.533105 # O CYC 359 244 1 0.589700 0.875757 4.109890 4.155106 # H CYC 360 244 1 0.589700 -0.456244 4.713890 3.920105 # H CYC 361 245 2 -1.179400 2.193756 6.760890 -3.025895 # O CYC 362 245 1 0.589700 1.433756 6.977890 -2.502894 # H CYC 363 245 1 0.589700 1.997757 5.896889 -3.407895 # H CYC 364 246 2 -1.179400 7.856756 -6.604111 -0.067894 # O CYC 365 246 1 0.589700 7.206757 -6.906111 -0.725894 # H CYC 366 246 1 0.589700 7.841757 -5.635111 -0.083894 # H CYC 367 1 2 -1.179400 -17.353243 -5.195111 -5.498895 # O HEX 368 1 1 0.589700 -17.353243 -5.195111 -4.509894 # H HEX 369 1 1 0.589700 -18.164244 -5.663111 -5.827894 # H HEX 370 2 2 -1.179400 -17.353243 -5.195111 -2.737895 # O HEX 371 2 1 0.589700 -16.544243 -5.663111 -2.407895 # H HEX 372 2 1 0.589700 -17.353243 -4.260111 -2.407895 # H HEX 373 3 2 -1.179400 -17.353243 -2.585111 -6.417894 # O HEX 374 3 1 0.589700 -17.353243 -3.520111 -6.088894 # H HEX 375 3 1 0.589700 -18.164244 -2.118111 -6.088894 # H HEX 376 4 2 -1.179400 -17.353243 -2.585111 -1.817894 # O HEX 377 4 1 0.589700 -17.353243 -2.585111 -0.828895 # H HEX 378 4 1 0.589700 -16.544243 -2.118111 -2.146894 # H HEX 379 5 2 -1.179400 -15.093244 -6.501111 -6.417894 # O HEX 380 5 1 0.589700 -15.093244 -7.436111 -6.088894 # H HEX 381 5 1 0.589700 -15.902244 -6.034111 -6.088894 # H HEX 382 6 2 -1.179400 -15.093244 -6.501111 -1.817894 # O HEX 383 6 1 0.589700 -15.093244 -6.501111 -0.828895 # H HEX 384 6 1 0.589700 -14.284244 -6.034111 -2.146894 # H HEX 385 7 2 -1.179400 -15.093244 -1.280111 -5.498895 # O HEX 386 7 1 0.589700 -15.093244 -1.280111 -4.509894 # H HEX 387 7 1 0.589700 -15.902244 -1.748111 -5.827894 # H HEX 388 8 2 -1.179400 -15.093244 -1.280111 -2.737895 # O HEX 389 8 1 0.589700 -14.284244 -1.748111 -2.407895 # H HEX 390 8 1 0.589700 -15.093244 -0.344111 -2.407895 # H HEX 391 9 2 -1.179400 -17.353243 -5.195111 1.863105 # O HEX 392 9 1 0.589700 -17.353243 -5.195111 2.852106 # H HEX 393 9 1 0.589700 -18.164244 -5.663111 1.534106 # H HEX 394 10 2 -1.179400 -17.353243 -5.195111 4.624106 # O HEX 395 10 1 0.589700 -16.544243 -5.663111 4.954106 # H HEX 396 10 1 0.589700 -17.353243 -4.260111 4.954106 # H HEX 397 11 2 -1.179400 -17.353243 -2.585111 0.944106 # O HEX 398 11 1 0.589700 -17.353243 -3.520111 1.273105 # H HEX 399 11 1 0.589700 -18.164244 -2.118111 1.273105 # H HEX 400 12 2 -1.179400 -17.353243 -2.585111 5.544106 # O HEX 401 12 1 0.589700 -17.353243 -2.585111 6.533105 # H HEX 402 12 1 0.589700 -16.544243 -2.118111 5.215106 # H HEX 403 13 2 -1.179400 -15.093244 -6.501111 0.944106 # O HEX 404 13 1 0.589700 -15.093244 -7.436111 1.273105 # H HEX 405 13 1 0.589700 -15.902244 -6.034111 1.273105 # H HEX 406 14 2 -1.179400 -15.093244 -6.501111 5.544106 # O HEX 407 14 1 0.589700 -15.093244 -6.501111 6.533105 # H HEX 408 14 1 0.589700 -14.284244 -6.034111 5.215106 # H HEX 409 15 2 -1.179400 -15.093244 -1.280111 1.863105 # O HEX 410 15 1 0.589700 -15.093244 -1.280111 2.852106 # H HEX 411 15 1 0.589700 -15.902244 -1.748111 1.534106 # H HEX 412 16 2 -1.179400 -15.093244 -1.280111 4.624106 # O HEX 413 16 1 0.589700 -14.284244 -1.748111 4.954106 # H HEX 414 16 1 0.589700 -15.093244 -0.344111 4.954106 # H HEX 415 17 2 -1.179400 -17.353243 2.636889 -5.498895 # O HEX 416 17 1 0.589700 -17.353243 2.636889 -4.509894 # H HEX 417 17 1 0.589700 -18.164244 2.168890 -5.827894 # H HEX 418 18 2 -1.179400 -17.353243 2.636889 -2.737895 # O HEX 419 18 1 0.589700 -16.544243 2.168890 -2.407895 # H HEX 420 18 1 0.589700 -17.353243 3.571889 -2.407895 # H HEX 421 19 2 -1.179400 -17.353243 5.246890 -6.417894 # O HEX 422 19 1 0.589700 -17.353243 4.311889 -6.088894 # H HEX 423 19 1 0.589700 -18.164244 5.713890 -6.088894 # H HEX 424 20 2 -1.179400 -17.353243 5.246890 -1.817894 # O HEX 425 20 1 0.589700 -17.353243 5.246890 -0.828895 # H HEX 426 20 1 0.589700 -16.544243 5.713890 -2.146894 # H HEX 427 21 2 -1.179400 -15.093244 1.330889 -6.417894 # O HEX 428 21 1 0.589700 -15.093244 0.395889 -6.088894 # H HEX 429 21 1 0.589700 -15.902244 1.797889 -6.088894 # H HEX 430 22 2 -1.179400 -15.093244 1.330889 -1.817894 # O HEX 431 22 1 0.589700 -15.093244 1.330889 -0.828895 # H HEX 432 22 1 0.589700 -14.284244 1.797889 -2.146894 # H HEX 433 23 2 -1.179400 -15.093244 6.551889 -5.498895 # O HEX 434 23 1 0.589700 -15.093244 6.551889 -4.509894 # H HEX 435 23 1 0.589700 -15.902244 6.083889 -5.827894 # H HEX 436 24 2 -1.179400 -15.093244 6.551889 -2.737895 # O HEX 437 24 1 0.589700 -14.284244 6.083889 -2.407895 # H HEX 438 24 1 0.589700 -15.093244 7.487889 -2.407895 # H HEX 439 25 2 -1.179400 -17.353243 2.636889 1.863105 # O HEX 440 25 1 0.589700 -17.353243 2.636889 2.852106 # H HEX 441 25 1 0.589700 -18.164244 2.168890 1.534106 # H HEX 442 26 2 -1.179400 -17.353243 2.636889 4.624106 # O HEX 443 26 1 0.589700 -16.544243 2.168890 4.954106 # H HEX 444 26 1 0.589700 -17.353243 3.571889 4.954106 # H HEX 445 27 2 -1.179400 -17.353243 5.246890 0.944106 # O HEX 446 27 1 0.589700 -17.353243 4.311889 1.273105 # H HEX 447 27 1 0.589700 -18.164244 5.713890 1.273105 # H HEX 448 28 2 -1.179400 -17.353243 5.246890 5.544106 # O HEX 449 28 1 0.589700 -17.353243 5.246890 6.533105 # H HEX 450 28 1 0.589700 -16.544243 5.713890 5.215106 # H HEX 451 29 2 -1.179400 -15.093244 1.330889 0.944106 # O HEX 452 29 1 0.589700 -15.093244 0.395889 1.273105 # H HEX 453 29 1 0.589700 -15.902244 1.797889 1.273105 # H HEX 454 30 2 -1.179400 -15.093244 1.330889 5.544106 # O HEX 455 30 1 0.589700 -15.093244 1.330889 6.533105 # H HEX 456 30 1 0.589700 -14.284244 1.797889 5.215106 # H HEX 457 31 2 -1.179400 -15.093244 6.551889 1.863105 # O HEX 458 31 1 0.589700 -15.093244 6.551889 2.852106 # H HEX 459 31 1 0.589700 -15.902244 6.083889 1.534106 # H HEX 460 32 2 -1.179400 -15.093244 6.551889 4.624106 # O HEX 461 32 1 0.589700 -14.284244 6.083889 4.954106 # H HEX 462 32 1 0.589700 -15.093244 7.487889 4.954106 # H HEX 463 33 2 -1.179400 -12.832243 -5.195111 -5.498895 # O HEX 464 33 1 0.589700 -12.832243 -5.195111 -4.509894 # H HEX 465 33 1 0.589700 -13.643244 -5.663111 -5.827894 # H HEX 466 34 2 -1.179400 -12.832243 -5.195111 -2.737895 # O HEX 467 34 1 0.589700 -12.023243 -5.663111 -2.407895 # H HEX 468 34 1 0.589700 -12.832243 -4.260111 -2.407895 # H HEX 469 35 2 -1.179400 -12.832243 -2.585111 -6.417894 # O HEX 470 35 1 0.589700 -12.832243 -3.520111 -6.088894 # H HEX 471 35 1 0.589700 -13.643244 -2.118111 -6.088894 # H HEX 472 36 2 -1.179400 -12.832243 -2.585111 -1.817894 # O HEX 473 36 1 0.589700 -12.832243 -2.585111 -0.828895 # H HEX 474 36 1 0.589700 -12.023243 -2.118111 -2.146894 # H HEX 475 37 2 -1.179400 -10.572243 -6.501111 -6.417894 # O HEX 476 37 1 0.589700 -10.572243 -7.436111 -6.088894 # H HEX 477 37 1 0.589700 -11.381243 -6.034111 -6.088894 # H HEX 478 38 2 -1.179400 -10.572243 -6.501111 -1.817894 # O HEX 479 38 1 0.589700 -10.572243 -6.501111 -0.828895 # H HEX 480 38 1 0.589700 -9.763244 -6.034111 -2.146894 # H HEX 481 39 2 -1.179400 -10.572243 -1.280111 -5.498895 # O HEX 482 39 1 0.589700 -10.572243 -1.280111 -4.509894 # H HEX 483 39 1 0.589700 -11.381243 -1.748111 -5.827894 # H HEX 484 40 2 -1.179400 -10.572243 -1.280111 -2.737895 # O HEX 485 40 1 0.589700 -9.763244 -1.748111 -2.407895 # H HEX 486 40 1 0.589700 -10.572243 -0.344111 -2.407895 # H HEX 487 41 2 -1.179400 -12.832243 -5.195111 1.863105 # O HEX 488 41 1 0.589700 -12.832243 -5.195111 2.852106 # H HEX 489 41 1 0.589700 -13.643244 -5.663111 1.534106 # H HEX 490 42 2 -1.179400 -12.832243 -5.195111 4.624106 # O HEX 491 42 1 0.589700 -12.023243 -5.663111 4.954106 # H HEX 492 42 1 0.589700 -12.832243 -4.260111 4.954106 # H HEX 493 43 2 -1.179400 -12.832243 -2.585111 0.944106 # O HEX 494 43 1 0.589700 -12.832243 -3.520111 1.273105 # H HEX 495 43 1 0.589700 -13.643244 -2.118111 1.273105 # H HEX 496 44 2 -1.179400 -12.832243 -2.585111 5.544106 # O HEX 497 44 1 0.589700 -12.832243 -2.585111 6.533105 # H HEX 498 44 1 0.589700 -12.023243 -2.118111 5.215106 # H HEX 499 45 2 -1.179400 -10.572243 -6.501111 0.944106 # O HEX 500 45 1 0.589700 -10.572243 -7.436111 1.273105 # H HEX 501 45 1 0.589700 -11.381243 -6.034111 1.273105 # H HEX 502 46 2 -1.179400 -10.572243 -6.501111 5.544106 # O HEX 503 46 1 0.589700 -10.572243 -6.501111 6.533105 # H HEX 504 46 1 0.589700 -9.763244 -6.034111 5.215106 # H HEX 505 47 2 -1.179400 -10.572243 -1.280111 1.863105 # O HEX 506 47 1 0.589700 -10.572243 -1.280111 2.852106 # H HEX 507 47 1 0.589700 -11.381243 -1.748111 1.534106 # H HEX 508 48 2 -1.179400 -10.572243 -1.280111 4.624106 # O HEX 509 48 1 0.589700 -9.763244 -1.748111 4.954106 # H HEX 510 48 1 0.589700 -10.572243 -0.344111 4.954106 # H HEX 511 49 2 -1.179400 -12.832243 2.636889 -5.498895 # O HEX 512 49 1 0.589700 -12.832243 2.636889 -4.509894 # H HEX 513 49 1 0.589700 -13.643244 2.168890 -5.827894 # H HEX 514 50 2 -1.179400 -12.832243 2.636889 -2.737895 # O HEX 515 50 1 0.589700 -12.023243 2.168890 -2.407895 # H HEX 516 50 1 0.589700 -12.832243 3.571889 -2.407895 # H HEX 517 51 2 -1.179400 -12.832243 5.246890 -6.417894 # O HEX 518 51 1 0.589700 -12.832243 4.311889 -6.088894 # H HEX 519 51 1 0.589700 -13.643244 5.713890 -6.088894 # H HEX 520 52 2 -1.179400 -12.832243 5.246890 -1.817894 # O HEX 521 52 1 0.589700 -12.832243 5.246890 -0.828895 # H HEX 522 52 1 0.589700 -12.023243 5.713890 -2.146894 # H HEX 523 53 2 -1.179400 -10.572243 1.330889 -6.417894 # O HEX 524 53 1 0.589700 -10.572243 0.395889 -6.088894 # H HEX 525 53 1 0.589700 -11.381243 1.797889 -6.088894 # H HEX 526 54 2 -1.179400 -10.572243 1.330889 -1.817894 # O HEX 527 54 1 0.589700 -10.572243 1.330889 -0.828895 # H HEX 528 54 1 0.589700 -9.763244 1.797889 -2.146894 # H HEX 529 55 2 -1.179400 -10.572243 6.551889 -5.498895 # O HEX 530 55 1 0.589700 -10.572243 6.551889 -4.509894 # H HEX 531 55 1 0.589700 -11.381243 6.083889 -5.827894 # H HEX 532 56 2 -1.179400 -10.572243 6.551889 -2.737895 # O HEX 533 56 1 0.589700 -9.763244 6.083889 -2.407895 # H HEX 534 56 1 0.589700 -10.572243 7.487889 -2.407895 # H HEX 535 57 2 -1.179400 -12.832243 2.636889 1.863105 # O HEX 536 57 1 0.589700 -12.832243 2.636889 2.852106 # H HEX 537 57 1 0.589700 -13.643244 2.168890 1.534106 # H HEX 538 58 2 -1.179400 -12.832243 2.636889 4.624106 # O HEX 539 58 1 0.589700 -12.023243 2.168890 4.954106 # H HEX 540 58 1 0.589700 -12.832243 3.571889 4.954106 # H HEX 541 59 2 -1.179400 -12.832243 5.246890 0.944106 # O HEX 542 59 1 0.589700 -12.832243 4.311889 1.273105 # H HEX 543 59 1 0.589700 -13.643244 5.713890 1.273105 # H HEX 544 60 2 -1.179400 -12.832243 5.246890 5.544106 # O HEX 545 60 1 0.589700 -12.832243 5.246890 6.533105 # H HEX 546 60 1 0.589700 -12.023243 5.713890 5.215106 # H HEX 547 61 2 -1.179400 -10.572243 1.330889 0.944106 # O HEX 548 61 1 0.589700 -10.572243 0.395889 1.273105 # H HEX 549 61 1 0.589700 -11.381243 1.797889 1.273105 # H HEX 550 62 2 -1.179400 -10.572243 1.330889 5.544106 # O HEX 551 62 1 0.589700 -10.572243 1.330889 6.533105 # H HEX 552 62 1 0.589700 -9.763244 1.797889 5.215106 # H HEX 553 63 2 -1.179400 -10.572243 6.551889 1.863105 # O HEX 554 63 1 0.589700 -10.572243 6.551889 2.852106 # H HEX 555 63 1 0.589700 -11.381243 6.083889 1.534106 # H HEX 556 64 2 -1.179400 -10.572243 6.551889 4.624106 # O HEX 557 64 1 0.589700 -9.763244 6.083889 4.954106 # H HEX 558 64 1 0.589700 -10.572243 7.487889 4.954106 # H HEX 559 65 2 -1.179400 -8.311243 -5.195111 -5.498895 # O HEX 560 65 1 0.589700 -8.311243 -5.195111 -4.509894 # H HEX 561 65 1 0.589700 -9.122243 -5.663111 -5.827894 # H HEX 562 66 2 -1.179400 -8.311243 -5.195111 -2.737895 # O HEX 563 66 1 0.589700 -7.502243 -5.663111 -2.407895 # H HEX 564 66 1 0.589700 -8.311243 -4.260111 -2.407895 # H HEX 565 67 2 -1.179400 -8.311243 -2.585111 -6.417894 # O HEX 566 67 1 0.589700 -8.311243 -3.520111 -6.088894 # H HEX 567 67 1 0.589700 -9.122243 -2.118111 -6.088894 # H HEX 568 68 2 -1.179400 -8.311243 -2.585111 -1.817894 # O HEX 569 68 1 0.589700 -8.311243 -2.585111 -0.828895 # H HEX 570 68 1 0.589700 -7.502243 -2.118111 -2.146894 # H HEX 571 69 2 -1.179400 -6.051244 -6.501111 -6.417894 # O HEX 572 69 1 0.589700 -6.051244 -7.436111 -6.088894 # H HEX 573 69 1 0.589700 -6.860244 -6.034111 -6.088894 # H HEX 574 70 2 -1.179400 -6.051244 -6.501111 -1.817894 # O HEX 575 70 1 0.589700 -6.051244 -6.501111 -0.828895 # H HEX 576 70 1 0.589700 -5.242244 -6.034111 -2.146894 # H HEX 577 71 2 -1.179400 -6.051244 -1.280111 -5.498895 # O HEX 578 71 1 0.589700 -6.051244 -1.280111 -4.509894 # H HEX 579 71 1 0.589700 -6.860244 -1.748111 -5.827894 # H HEX 580 72 2 -1.179400 -6.051244 -1.280111 -2.737895 # O HEX 581 72 1 0.589700 -5.242244 -1.748111 -2.407895 # H HEX 582 72 1 0.589700 -6.051244 -0.344111 -2.407895 # H HEX 583 73 2 -1.179400 -8.311243 -5.195111 1.863105 # O HEX 584 73 1 0.589700 -8.311243 -5.195111 2.852106 # H HEX 585 73 1 0.589700 -9.122243 -5.663111 1.534106 # H HEX 586 74 2 -1.179400 -8.311243 -5.195111 4.624106 # O HEX 587 74 1 0.589700 -7.502243 -5.663111 4.954106 # H HEX 588 74 1 0.589700 -8.311243 -4.260111 4.954106 # H HEX 589 75 2 -1.179400 -8.311243 -2.585111 0.944106 # O HEX 590 75 1 0.589700 -8.311243 -3.520111 1.273105 # H HEX 591 75 1 0.589700 -9.122243 -2.118111 1.273105 # H HEX 592 76 2 -1.179400 -8.311243 -2.585111 5.544106 # O HEX 593 76 1 0.589700 -8.311243 -2.585111 6.533105 # H HEX 594 76 1 0.589700 -7.502243 -2.118111 5.215106 # H HEX 595 77 2 -1.179400 -6.051244 -6.501111 0.944106 # O HEX 596 77 1 0.589700 -6.051244 -7.436111 1.273105 # H HEX 597 77 1 0.589700 -6.860244 -6.034111 1.273105 # H HEX 598 78 2 -1.179400 -6.051244 -6.501111 5.544106 # O HEX 599 78 1 0.589700 -6.051244 -6.501111 6.533105 # H HEX 600 78 1 0.589700 -5.242244 -6.034111 5.215106 # H HEX 601 79 2 -1.179400 -6.051244 -1.280111 1.863105 # O HEX 602 79 1 0.589700 -6.051244 -1.280111 2.852106 # H HEX 603 79 1 0.589700 -6.860244 -1.748111 1.534106 # H HEX 604 80 2 -1.179400 -6.051244 -1.280111 4.624106 # O HEX 605 80 1 0.589700 -5.242244 -1.748111 4.954106 # H HEX 606 80 1 0.589700 -6.051244 -0.344111 4.954106 # H HEX 607 81 2 -1.179400 -8.311243 2.636889 -5.498895 # O HEX 608 81 1 0.589700 -8.311243 2.636889 -4.509894 # H HEX 609 81 1 0.589700 -9.122243 2.168890 -5.827894 # H HEX 610 82 2 -1.179400 -8.311243 2.636889 -2.737895 # O HEX 611 82 1 0.589700 -7.502243 2.168890 -2.407895 # H HEX 612 82 1 0.589700 -8.311243 3.571889 -2.407895 # H HEX 613 83 2 -1.179400 -8.311243 5.246890 -6.417894 # O HEX 614 83 1 0.589700 -8.311243 4.311889 -6.088894 # H HEX 615 83 1 0.589700 -9.122243 5.713890 -6.088894 # H HEX 616 84 2 -1.179400 -8.311243 5.246890 -1.817894 # O HEX 617 84 1 0.589700 -8.311243 5.246890 -0.828895 # H HEX 618 84 1 0.589700 -7.502243 5.713890 -2.146894 # H HEX 619 85 2 -1.179400 -6.051244 1.330889 -6.417894 # O HEX 620 85 1 0.589700 -6.051244 0.395889 -6.088894 # H HEX 621 85 1 0.589700 -6.860244 1.797889 -6.088894 # H HEX 622 86 2 -1.179400 -6.051244 1.330889 -1.817894 # O HEX 623 86 1 0.589700 -6.051244 1.330889 -0.828895 # H HEX 624 86 1 0.589700 -5.242244 1.797889 -2.146894 # H HEX 625 87 2 -1.179400 -6.051244 6.551889 -5.498895 # O HEX 626 87 1 0.589700 -6.051244 6.551889 -4.509894 # H HEX 627 87 1 0.589700 -6.860244 6.083889 -5.827894 # H HEX 628 88 2 -1.179400 -6.051244 6.551889 -2.737895 # O HEX 629 88 1 0.589700 -5.242244 6.083889 -2.407895 # H HEX 630 88 1 0.589700 -6.051244 7.487889 -2.407895 # H HEX 631 89 2 -1.179400 -8.311243 2.636889 1.863105 # O HEX 632 89 1 0.589700 -8.311243 2.636889 2.852106 # H HEX 633 89 1 0.589700 -9.122243 2.168890 1.534106 # H HEX 634 90 2 -1.179400 -8.311243 2.636889 4.624106 # O HEX 635 90 1 0.589700 -7.502243 2.168890 4.954106 # H HEX 636 90 1 0.589700 -8.311243 3.571889 4.954106 # H HEX 637 91 2 -1.179400 -8.311243 5.246890 0.944106 # O HEX 638 91 1 0.589700 -8.311243 4.311889 1.273105 # H HEX 639 91 1 0.589700 -9.122243 5.713890 1.273105 # H HEX 640 92 2 -1.179400 -8.311243 5.246890 5.544106 # O HEX 641 92 1 0.589700 -8.311243 5.246890 6.533105 # H HEX 642 92 1 0.589700 -7.502243 5.713890 5.215106 # H HEX 643 93 2 -1.179400 -6.051244 1.330889 0.944106 # O HEX 644 93 1 0.589700 -6.051244 0.395889 1.273105 # H HEX 645 93 1 0.589700 -6.860244 1.797889 1.273105 # H HEX 646 94 2 -1.179400 -6.051244 1.330889 5.544106 # O HEX 647 94 1 0.589700 -6.051244 1.330889 6.533105 # H HEX 648 94 1 0.589700 -5.242244 1.797889 5.215106 # H HEX 649 95 2 -1.179400 -6.051244 6.551889 1.863105 # O HEX 650 95 1 0.589700 -6.051244 6.551889 2.852106 # H HEX 651 95 1 0.589700 -6.860244 6.083889 1.534106 # H HEX 652 96 2 -1.179400 -6.051244 6.551889 4.624106 # O HEX 653 96 1 0.589700 -5.242244 6.083889 4.954106 # H HEX 654 96 1 0.589700 -6.051244 7.487889 4.954106 # H HEX 655 97 2 -1.179400 -3.790243 -5.195111 -5.498895 # O HEX 656 97 1 0.589700 -3.790243 -5.195111 -4.509894 # H HEX 657 97 1 0.589700 -4.601243 -5.663111 -5.827894 # H HEX 658 98 2 -1.179400 -3.790243 -5.195111 -2.737895 # O HEX 659 98 1 0.589700 -2.981243 -5.663111 -2.407895 # H HEX 660 98 1 0.589700 -3.790243 -4.260111 -2.407895 # H HEX 661 99 2 -1.179400 -3.790243 -2.585111 -6.417894 # O HEX 662 99 1 0.589700 -3.790243 -3.520111 -6.088894 # H HEX 663 99 1 0.589700 -4.601243 -2.118111 -6.088894 # H HEX 664 100 2 -1.179400 -3.790243 -2.585111 -1.817894 # O HEX 665 100 1 0.589700 -3.790243 -2.585111 -0.828895 # H HEX 666 100 1 0.589700 -2.981243 -2.118111 -2.146894 # H HEX 667 101 2 -1.179400 -1.530243 -6.501111 -6.417894 # O HEX 668 101 1 0.589700 -1.530243 -7.436111 -6.088894 # H HEX 669 101 1 0.589700 -2.339243 -6.034111 -6.088894 # H HEX 670 102 2 -1.179400 -1.530243 -6.501111 -1.817894 # O HEX 671 102 1 0.589700 -1.530243 -6.501111 -0.828895 # H HEX 672 102 1 0.589700 -0.721243 -6.034111 -2.146894 # H HEX 673 103 2 -1.179400 -1.530243 -1.280111 -5.498895 # O HEX 674 103 1 0.589700 -1.530243 -1.280111 -4.509894 # H HEX 675 103 1 0.589700 -2.339243 -1.748111 -5.827894 # H HEX 676 104 2 -1.179400 -1.530243 -1.280111 -2.737895 # O HEX 677 104 1 0.589700 -0.721243 -1.748111 -2.407895 # H HEX 678 104 1 0.589700 -1.530243 -0.344111 -2.407895 # H HEX 679 105 2 -1.179400 -3.790243 -5.195111 1.863105 # O HEX 680 105 1 0.589700 -3.790243 -5.195111 2.852106 # H HEX 681 105 1 0.589700 -4.601243 -5.663111 1.534106 # H HEX 682 106 2 -1.179400 -3.790243 -5.195111 4.624106 # O HEX 683 106 1 0.589700 -2.981243 -5.663111 4.954106 # H HEX 684 106 1 0.589700 -3.790243 -4.260111 4.954106 # H HEX 685 107 2 -1.179400 -3.790243 -2.585111 0.944106 # O HEX 686 107 1 0.589700 -3.790243 -3.520111 1.273105 # H HEX 687 107 1 0.589700 -4.601243 -2.118111 1.273105 # H HEX 688 108 2 -1.179400 -3.790243 -2.585111 5.544106 # O HEX 689 108 1 0.589700 -3.790243 -2.585111 6.533105 # H HEX 690 108 1 0.589700 -2.981243 -2.118111 5.215106 # H HEX 691 109 2 -1.179400 -1.530243 -6.501111 0.944106 # O HEX 692 109 1 0.589700 -1.530243 -7.436111 1.273105 # H HEX 693 109 1 0.589700 -2.339243 -6.034111 1.273105 # H HEX 694 110 2 -1.179400 -1.530243 -6.501111 5.544106 # O HEX 695 110 1 0.589700 -1.530243 -6.501111 6.533105 # H HEX 696 110 1 0.589700 -0.721243 -6.034111 5.215106 # H HEX 697 111 2 -1.179400 -1.530243 -1.280111 1.863105 # O HEX 698 111 1 0.589700 -1.530243 -1.280111 2.852106 # H HEX 699 111 1 0.589700 -2.339243 -1.748111 1.534106 # H HEX 700 112 2 -1.179400 -1.530243 -1.280111 4.624106 # O HEX 701 112 1 0.589700 -0.721243 -1.748111 4.954106 # H HEX 702 112 1 0.589700 -1.530243 -0.344111 4.954106 # H HEX 703 113 2 -1.179400 -3.790243 2.636889 -5.498895 # O HEX 704 113 1 0.589700 -3.790243 2.636889 -4.509894 # H HEX 705 113 1 0.589700 -4.601243 2.168890 -5.827894 # H HEX 706 114 2 -1.179400 -3.790243 2.636889 -2.737895 # O HEX 707 114 1 0.589700 -2.981243 2.168890 -2.407895 # H HEX 708 114 1 0.589700 -3.790243 3.571889 -2.407895 # H HEX 709 115 2 -1.179400 -3.790243 5.246890 -6.417894 # O HEX 710 115 1 0.589700 -3.790243 4.311889 -6.088894 # H HEX 711 115 1 0.589700 -4.601243 5.713890 -6.088894 # H HEX 712 116 2 -1.179400 -3.790243 5.246890 -1.817894 # O HEX 713 116 1 0.589700 -3.790243 5.246890 -0.828895 # H HEX 714 116 1 0.589700 -2.981243 5.713890 -2.146894 # H HEX 715 117 2 -1.179400 -1.530243 1.330889 -6.417894 # O HEX 716 117 1 0.589700 -1.530243 0.395889 -6.088894 # H HEX 717 117 1 0.589700 -2.339243 1.797889 -6.088894 # H HEX 718 118 2 -1.179400 -1.530243 1.330889 -1.817894 # O HEX 719 118 1 0.589700 -1.530243 1.330889 -0.828895 # H HEX 720 118 1 0.589700 -0.721243 1.797889 -2.146894 # H HEX 721 119 2 -1.179400 -1.530243 6.551889 -5.498895 # O HEX 722 119 1 0.589700 -1.530243 6.551889 -4.509894 # H HEX 723 119 1 0.589700 -2.339243 6.083889 -5.827894 # H HEX 724 120 2 -1.179400 -1.530243 6.551889 -2.737895 # O HEX 725 120 1 0.589700 -0.721243 6.083889 -2.407895 # H HEX 726 120 1 0.589700 -1.530243 7.487889 -2.407895 # H HEX 727 121 2 -1.179400 -3.790243 2.636889 1.863105 # O HEX 728 121 1 0.589700 -3.790243 2.636889 2.852106 # H HEX 729 121 1 0.589700 -4.601243 2.168890 1.534106 # H HEX 730 122 2 -1.179400 -3.790243 2.636889 4.624106 # O HEX 731 122 1 0.589700 -2.981243 2.168890 4.954106 # H HEX 732 122 1 0.589700 -3.790243 3.571889 4.954106 # H HEX 733 123 2 -1.179400 -3.790243 5.246890 0.944106 # O HEX 734 123 1 0.589700 -3.790243 4.311889 1.273105 # H HEX 735 123 1 0.589700 -4.601243 5.713890 1.273105 # H HEX 736 124 2 -1.179400 -3.790243 5.246890 5.544106 # O HEX 737 124 1 0.589700 -3.790243 5.246890 6.533105 # H HEX 738 124 1 0.589700 -2.981243 5.713890 5.215106 # H HEX 739 125 2 -1.179400 -1.530243 1.330889 0.944106 # O HEX 740 125 1 0.589700 -1.530243 0.395889 1.273105 # H HEX 741 125 1 0.589700 -2.339243 1.797889 1.273105 # H HEX 742 126 2 -1.179400 -1.530243 1.330889 5.544106 # O HEX 743 126 1 0.589700 -1.530243 1.330889 6.533105 # H HEX 744 126 1 0.589700 -0.721243 1.797889 5.215106 # H HEX 745 127 2 -1.179400 -1.530243 6.551889 1.863105 # O HEX 746 127 1 0.589700 -1.530243 6.551889 2.852106 # H HEX 747 127 1 0.589700 -2.339243 6.083889 1.534106 # H HEX 748 128 2 -1.179400 -1.530243 6.551889 4.624106 # O HEX 749 128 1 0.589700 -0.721243 6.083889 4.954106 # H HEX 750 128 1 0.589700 -1.530243 7.487889 4.954106 # H HEX Bonds 1 1 1 2 2 1 1 3 3 1 4 6 4 1 4 5 5 1 7 9 6 1 7 8 7 1 10 11 8 1 10 12 9 1 13 14 10 1 13 15 11 1 16 17 12 1 16 18 13 1 19 21 14 1 19 20 15 1 22 23 16 1 22 24 17 1 25 27 18 1 25 26 19 1 28 29 20 1 28 30 21 1 31 33 22 1 31 32 23 1 34 35 24 1 34 36 25 1 37 39 26 1 37 38 27 1 40 41 28 1 40 42 29 1 43 45 30 1 43 44 31 1 46 48 32 1 46 47 33 1 49 50 34 1 49 51 35 1 52 54 36 1 52 53 37 1 55 56 38 1 55 57 39 1 58 60 40 1 58 59 41 1 61 62 42 1 61 63 43 1 64 65 44 1 64 66 45 1 67 68 46 1 67 69 47 1 70 72 48 1 70 71 49 1 73 75 50 1 73 74 51 1 76 78 52 1 76 77 53 1 79 80 54 1 79 81 55 1 82 84 56 1 82 83 57 1 85 86 58 1 85 87 59 1 88 90 60 1 88 89 61 1 91 93 62 1 91 92 63 1 94 95 64 1 94 96 65 1 97 98 66 1 97 99 67 1 100 102 68 1 100 101 69 1 103 104 70 1 103 105 71 1 106 107 72 1 106 108 73 1 109 111 74 1 109 110 75 1 112 114 76 1 112 113 77 1 115 117 78 1 115 116 79 1 118 119 80 1 118 120 81 1 121 122 82 1 121 123 83 1 124 126 84 1 124 125 85 1 127 128 86 1 127 129 87 1 130 131 88 1 130 132 89 1 133 134 90 1 133 135 91 1 136 137 92 1 136 138 93 1 139 141 94 1 139 140 95 1 142 143 96 1 142 144 97 1 145 147 98 1 145 146 99 1 148 150 100 1 148 149 101 1 151 152 102 1 151 153 103 1 154 156 104 1 154 155 105 1 157 158 106 1 157 159 107 1 160 162 108 1 160 161 109 1 163 164 110 1 163 165 111 1 166 167 112 1 166 168 113 1 169 171 114 1 169 170 115 1 172 173 116 1 172 174 117 1 175 177 118 1 175 176 119 1 178 179 120 1 178 180 121 1 181 182 122 1 181 183 123 1 184 185 124 1 184 186 125 1 187 189 126 1 187 188 127 1 190 191 128 1 190 192 129 1 193 195 130 1 193 194 131 1 196 197 132 1 196 198 133 1 199 200 134 1 199 201 135 1 202 203 136 1 202 204 137 1 205 206 138 1 205 207 139 1 208 209 140 1 208 210 141 1 211 212 142 1 211 213 143 1 214 216 144 1 214 215 145 1 217 219 146 1 217 218 147 1 220 221 148 1 220 222 149 1 223 224 150 1 223 225 151 1 226 227 152 1 226 228 153 1 229 231 154 1 229 230 155 1 232 233 156 1 232 234 157 1 235 236 158 1 235 237 159 1 238 239 160 1 238 240 161 1 241 243 162 1 241 242 163 1 244 246 164 1 244 245 165 1 247 248 166 1 247 249 167 1 250 252 168 1 250 251 169 1 253 255 170 1 253 254 171 1 256 257 172 1 256 258 173 1 259 260 174 1 259 261 175 1 262 264 176 1 262 263 177 1 265 267 178 1 265 266 179 1 268 269 180 1 268 270 181 1 271 273 182 1 271 272 183 1 274 275 184 1 274 276 185 1 277 279 186 1 277 278 187 1 280 281 188 1 280 282 189 1 283 285 190 1 283 284 191 1 286 287 192 1 286 288 193 1 289 290 194 1 289 291 195 1 292 293 196 1 292 294 197 1 295 296 198 1 295 297 199 1 298 299 200 1 298 300 201 1 301 303 202 1 301 302 203 1 304 306 204 1 304 305 205 1 307 308 206 1 307 309 207 1 310 312 208 1 310 311 209 1 313 314 210 1 313 315 211 1 316 317 212 1 316 318 213 1 319 320 214 1 319 321 215 1 322 323 216 1 322 324 217 1 325 326 218 1 325 327 219 1 328 329 220 1 328 330 221 1 331 332 222 1 331 333 223 1 334 335 224 1 334 336 225 1 337 338 226 1 337 339 227 1 340 341 228 1 340 342 229 1 343 345 230 1 343 344 231 1 346 347 232 1 346 348 233 1 349 350 234 1 349 351 235 1 352 354 236 1 352 353 237 1 355 357 238 1 355 356 239 1 358 359 240 1 358 360 241 1 361 363 242 1 361 362 243 1 364 365 244 1 364 366 245 1 367 368 246 1 367 369 247 1 370 372 248 1 370 371 249 1 373 374 250 1 373 375 251 1 376 378 252 1 376 377 253 1 379 380 254 1 379 381 255 1 382 384 256 1 382 383 257 1 385 387 258 1 385 386 259 1 388 390 260 1 388 389 261 1 391 392 262 1 391 393 263 1 394 396 264 1 394 395 265 1 397 398 266 1 397 399 267 1 400 402 268 1 400 401 269 1 403 404 270 1 403 405 271 1 406 408 272 1 406 407 273 1 409 411 274 1 409 410 275 1 412 414 276 1 412 413 277 1 415 417 278 1 415 416 279 1 418 419 280 1 418 420 281 1 421 422 282 1 421 423 283 1 424 426 284 1 424 425 285 1 427 428 286 1 427 429 287 1 430 431 288 1 430 432 289 1 433 435 290 1 433 434 291 1 436 437 292 1 436 438 293 1 439 441 294 1 439 440 295 1 442 443 296 1 442 444 297 1 445 446 298 1 445 447 299 1 448 450 300 1 448 449 301 1 451 452 302 1 451 453 303 1 454 455 304 1 454 456 305 1 457 459 306 1 457 458 307 1 460 461 308 1 460 462 309 1 463 464 310 1 463 465 311 1 466 468 312 1 466 467 313 1 469 470 314 1 469 471 315 1 472 474 316 1 472 473 317 1 475 476 318 1 475 477 319 1 478 480 320 1 478 479 321 1 481 482 322 1 481 483 323 1 484 485 324 1 484 486 325 1 487 488 326 1 487 489 327 1 490 492 328 1 490 491 329 1 493 494 330 1 493 495 331 1 496 498 332 1 496 497 333 1 499 500 334 1 499 501 335 1 502 504 336 1 502 503 337 1 505 506 338 1 505 507 339 1 508 509 340 1 508 510 341 1 511 513 342 1 511 512 343 1 514 515 344 1 514 516 345 1 517 518 346 1 517 519 347 1 520 521 348 1 520 522 349 1 523 525 350 1 523 524 351 1 526 528 352 1 526 527 353 1 529 530 354 1 529 531 355 1 532 533 356 1 532 534 357 1 535 537 358 1 535 536 359 1 538 539 360 1 538 540 361 1 541 542 362 1 541 543 363 1 544 545 364 1 544 546 365 1 547 549 366 1 547 548 367 1 550 552 368 1 550 551 369 1 553 554 370 1 553 555 371 1 556 557 372 1 556 558 373 1 559 560 374 1 559 561 375 1 562 564 376 1 562 563 377 1 565 566 378 1 565 567 379 1 568 570 380 1 568 569 381 1 571 572 382 1 571 573 383 1 574 576 384 1 574 575 385 1 577 579 386 1 577 578 387 1 580 582 388 1 580 581 389 1 583 584 390 1 583 585 391 1 586 588 392 1 586 587 393 1 589 590 394 1 589 591 395 1 592 594 396 1 592 593 397 1 595 596 398 1 595 597 399 1 598 600 400 1 598 599 401 1 601 603 402 1 601 602 403 1 604 606 404 1 604 605 405 1 607 608 406 1 607 609 407 1 610 611 408 1 610 612 409 1 613 615 410 1 613 614 411 1 616 618 412 1 616 617 413 1 619 620 414 1 619 621 415 1 622 623 416 1 622 624 417 1 625 627 418 1 625 626 419 1 628 629 420 1 628 630 421 1 631 632 422 1 631 633 423 1 634 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