1 864 Formamide (Crystal Structure, Unit Cell) 2 1 C -0.285984 -4.009683 -1.663518 177 2 3 4 3 2 N -0.240301 -3.101967 -2.625594 179 1 5 6 4 3 O 0.220615 -5.142521 -1.730911 178 1 5 4 HC -0.777764 -3.706810 -0.742703 221 1 6 5 H -0.655015 -2.206004 -2.455047 182 2 7 6 H 0.224532 -3.336129 -3.486580 182 2 8 7 C -0.878738 0.510817 -1.774924 177 8 9 10 9 8 N -0.924421 1.418533 -0.812848 179 7 11 12 10 9 O -1.385337 -0.622021 -1.707531 178 7 11 10 HC -0.386958 0.813690 -2.695739 221 7 12 11 H -0.509707 2.314496 -0.983395 182 8 13 12 H -1.389254 1.184371 0.048138 182 8 14 13 C 0.285985 4.009683 1.663519 177 14 15 16 15 14 N 0.240302 3.101967 2.625595 179 13 17 18 16 15 O -0.220614 5.142521 1.730912 178 13 17 16 HC 0.777765 3.706810 0.742704 221 13 18 17 H 0.655016 2.206004 2.455048 182 14 19 18 H -0.224531 3.336129 3.486581 182 14 20 19 C 0.878738 -0.510817 1.774924 177 20 21 22 21 20 N 0.924421 -1.418533 0.812848 179 19 23 24 22 21 O 1.385337 0.622021 1.707531 178 19 23 22 HC 0.386958 -0.813690 2.695739 221 19 24 23 H 0.509707 -2.314496 0.983395 182 20 25 24 H 1.389254 -1.184371 -0.048138 182 20 26 25 C -6.219429 -4.009683 -8.540403 177 26 27 28 27 26 N -6.173746 -3.101967 -9.502479 179 25 29 30 28 27 O -5.712830 -5.142521 -8.607796 178 25 29 28 HC -6.711209 -3.706810 -7.619588 221 25 30 29 H -6.588460 -2.206004 -9.331932 182 26 31 30 H -5.708913 -3.336129 -10.363465 182 26 32 31 C -6.812183 0.510817 -8.651809 177 32 33 34 33 32 N -6.857866 1.418533 -7.689733 179 31 35 36 34 33 O -7.318782 -0.622021 -8.584416 178 31 35 34 HC -6.320403 0.813690 -9.572624 221 31 36 35 H -6.443152 2.314496 -7.860280 182 32 37 36 H -7.322699 1.184371 -6.828747 182 32 38 37 C -5.647460 4.009683 -5.213366 177 38 39 40 39 38 N -5.693143 3.101967 -4.251290 179 37 41 42 40 39 O -6.154059 5.142521 -5.145973 178 37 41 40 HC -5.155680 3.706810 -6.134181 221 37 42 41 H -5.278429 2.206004 -4.421837 182 38 43 42 H -6.157976 3.336129 -3.390304 182 38 44 43 C -5.054707 -0.510817 -5.101961 177 44 45 46 45 44 N -5.009024 -1.418533 -6.064037 179 43 47 48 46 45 O -4.548108 0.622021 -5.169354 178 43 47 46 HC -5.546487 -0.813690 -4.181146 221 43 48 47 H -5.423738 -2.314496 -5.893490 182 44 49 48 H -4.544191 -1.184371 -6.925023 182 44 50 49 C -7.493984 -4.009683 -1.663518 177 50 51 52 51 50 N -7.448301 -3.101967 -2.625594 179 49 53 54 52 51 O -6.987385 -5.142521 -1.730911 178 49 53 52 HC -7.985764 -3.706810 -0.742703 221 49 54 53 H -7.863015 -2.206004 -2.455047 182 50 55 54 H -6.983468 -3.336129 -3.486580 182 50 56 55 C -8.086738 0.510817 -1.774924 177 56 57 58 57 56 N -8.132421 1.418533 -0.812848 179 55 59 60 58 57 O -8.593337 -0.622021 -1.707531 178 55 59 58 HC -7.594958 0.813690 -2.695739 221 55 60 59 H -7.717707 2.314496 -0.983395 182 56 61 60 H -8.597254 1.184371 0.048138 182 56 62 61 C -6.922015 4.009683 1.663519 177 62 63 64 63 62 N -6.967698 3.101967 2.625595 179 61 65 66 64 63 O -7.428614 5.142521 1.730912 178 61 65 64 HC -6.430235 3.706810 0.742704 221 61 66 65 H -6.552984 2.206004 2.455048 182 62 67 66 H -7.432531 3.336129 3.486581 182 62 68 67 C -6.329262 -0.510817 1.774924 177 68 69 70 69 68 N -6.283579 -1.418533 0.812848 179 67 71 72 70 69 O -5.822663 0.622021 1.707531 178 67 71 70 HC -6.821042 -0.813690 2.695739 221 67 72 71 H -6.698293 -2.314496 0.983395 182 68 73 72 H -5.818746 -1.184371 -0.048138 182 68 74 73 C -8.768539 -4.009683 5.213367 177 74 75 76 75 74 N -8.722856 -3.101967 4.251291 179 73 77 78 76 75 O -8.261940 -5.142521 5.145974 178 73 77 76 HC -9.260319 -3.706810 6.134182 221 73 78 77 H -9.137570 -2.206004 4.421838 182 74 79 78 H -8.258023 -3.336129 3.390305 182 74 80 79 C -9.361293 0.510817 5.101961 177 80 81 82 81 80 N -9.406976 1.418533 6.064037 179 79 83 84 82 81 O -9.867892 -0.622021 5.169354 178 79 83 82 HC -8.869513 0.813690 4.181146 221 79 84 83 H -8.992262 2.314496 5.893490 182 80 85 84 H -9.871809 1.184371 6.925023 182 80 86 85 C -8.196570 4.009683 8.540404 177 86 87 88 87 86 N -8.242253 3.101967 9.502480 179 85 89 90 88 87 O -8.703169 5.142521 8.607797 178 85 89 88 HC -7.704790 3.706810 7.619589 221 85 90 89 H -7.827539 2.206004 9.331933 182 86 91 90 H -8.707086 3.336129 10.363466 182 86 92 91 C -7.603817 -0.510817 8.651809 177 92 93 94 93 92 N -7.558134 -1.418533 7.689733 179 91 95 96 94 93 O -7.097218 0.622021 8.584416 178 91 95 94 HC -8.095597 -0.813690 9.572624 221 91 96 95 H -7.972848 -2.314496 7.860280 182 92 97 96 H -7.093301 -1.184371 6.828747 182 92 98 97 C -6.219429 5.031317 -8.540403 177 98 99 100 99 98 N -6.173746 5.939033 -9.502479 179 97 101 102 100 99 O -5.712830 3.898479 -8.607796 178 97 101 100 HC -6.711209 5.334190 -7.619588 221 97 102 101 H -6.588460 6.834996 -9.331932 182 98 103 102 H -5.708913 5.704871 -10.363465 182 98 104 103 C -6.812183 9.551817 -8.651809 177 104 105 106 105 104 N -6.857866 10.459533 -7.689733 179 103 107 108 106 105 O -7.318782 8.418979 -8.584416 178 103 107 106 HC -6.320403 9.854690 -9.572624 221 103 108 107 H -6.443152 11.355496 -7.860280 182 104 109 108 H -7.322699 10.225371 -6.828747 182 104 110 109 C -5.647460 13.050683 -5.213366 177 110 111 112 111 110 N -5.693143 12.142967 -4.251290 179 109 113 114 112 111 O -6.154059 14.183521 -5.145973 178 109 113 112 HC -5.155680 12.747810 -6.134181 221 109 114 113 H -5.278429 11.247004 -4.421837 182 110 115 114 H -6.157976 12.377129 -3.390304 182 110 116 115 C -5.054707 8.530183 -5.101961 177 116 117 118 117 116 N -5.009024 7.622467 -6.064037 179 115 119 120 118 117 O -4.548108 9.663021 -5.169354 178 115 119 118 HC -5.546487 8.227310 -4.181146 221 115 120 119 H -5.423738 6.726504 -5.893490 182 116 121 120 H -4.544191 7.856629 -6.925023 182 116 122 121 C -7.493984 5.031317 -1.663518 177 122 123 124 123 122 N -7.448301 5.939033 -2.625594 179 121 125 126 124 123 O -6.987385 3.898479 -1.730911 178 121 125 124 HC -7.985764 5.334190 -0.742703 221 121 126 125 H -7.863015 6.834996 -2.455047 182 122 127 126 H -6.983468 5.704871 -3.486580 182 122 128 127 C -8.086738 9.551817 -1.774924 177 128 129 130 129 128 N -8.132421 10.459533 -0.812848 179 127 131 132 130 129 O -8.593337 8.418979 -1.707531 178 127 131 130 HC -7.594958 9.854690 -2.695739 221 127 132 131 H -7.717707 11.355496 -0.983395 182 128 133 132 H -8.597254 10.225371 0.048138 182 128 134 133 C -6.922015 13.050683 1.663519 177 134 135 136 135 134 N -6.967698 12.142967 2.625595 179 133 137 138 136 135 O -7.428614 14.183521 1.730912 178 133 137 136 HC -6.430235 12.747810 0.742704 221 133 138 137 H -6.552984 11.247004 2.455048 182 134 139 138 H -7.432531 12.377129 3.486581 182 134 140 139 C -6.329262 8.530183 1.774924 177 140 141 142 141 140 N -6.283579 7.622467 0.812848 179 139 143 144 142 141 O -5.822663 9.663021 1.707531 178 139 143 142 HC -6.821042 8.227310 2.695739 221 139 144 143 H -6.698293 6.726504 0.983395 182 140 145 144 H -5.818746 7.856629 -0.048138 182 140 146 145 C -8.768539 5.031317 5.213367 177 146 147 148 147 146 N -8.722856 5.939033 4.251291 179 145 149 150 148 147 O -8.261940 3.898479 5.145974 178 145 149 148 HC -9.260319 5.334190 6.134182 221 145 150 149 H -9.137570 6.834996 4.421838 182 146 151 150 H -8.258023 5.704871 3.390305 182 146 152 151 C -9.361293 9.551817 5.101961 177 152 153 154 153 152 N -9.406976 10.459533 6.064037 179 151 155 156 154 153 O -9.867892 8.418979 5.169354 178 151 155 154 HC -8.869513 9.854690 4.181146 221 151 156 155 H -8.992262 11.355496 5.893490 182 152 157 156 H -9.871809 10.225371 6.925023 182 152 158 157 C -8.196570 13.050683 8.540404 177 158 159 160 159 158 N -8.242253 12.142967 9.502480 179 157 161 162 160 159 O -8.703169 14.183521 8.607797 178 157 161 160 HC -7.704790 12.747810 7.619589 221 157 162 161 H -7.827539 11.247004 9.331933 182 158 163 162 H -8.707086 12.377129 10.363466 182 158 164 163 C -7.603817 8.530183 8.651809 177 164 165 166 165 164 N -7.558134 7.622467 7.689733 179 163 167 168 166 165 O -7.097218 9.663021 8.584416 178 163 167 166 HC -8.095597 8.227310 9.572624 221 163 168 167 H -7.972848 6.726504 7.860280 182 164 169 168 H -7.093301 7.856629 6.828747 182 164 170 169 C -2.615429 -4.009683 -8.540403 177 170 171 172 171 170 N -2.569746 -3.101967 -9.502479 179 169 173 174 172 171 O -2.108830 -5.142521 -8.607796 178 169 173 172 HC -3.107209 -3.706810 -7.619588 221 169 174 173 H -2.984460 -2.206004 -9.331932 182 170 175 174 H -2.104913 -3.336129 -10.363465 182 170 176 175 C -3.208183 0.510817 -8.651809 177 176 177 178 177 176 N -3.253866 1.418533 -7.689733 179 175 179 180 178 177 O -3.714782 -0.622021 -8.584416 178 175 179 178 HC -2.716403 0.813690 -9.572624 221 175 180 179 H -2.839152 2.314496 -7.860280 182 176 181 180 H -3.718699 1.184371 -6.828747 182 176 182 181 C -2.043460 4.009683 -5.213366 177 182 183 184 183 182 N -2.089143 3.101967 -4.251290 179 181 185 186 184 183 O -2.550059 5.142521 -5.145973 178 181 185 184 HC -1.551680 3.706810 -6.134181 221 181 186 185 H -1.674429 2.206004 -4.421837 182 182 187 186 H -2.553976 3.336129 -3.390304 182 182 188 187 C -1.450707 -0.510817 -5.101961 177 188 189 190 189 188 N -1.405024 -1.418533 -6.064037 179 187 191 192 190 189 O -0.944108 0.622021 -5.169354 178 187 191 190 HC -1.942487 -0.813690 -4.181146 221 187 192 191 H -1.819738 -2.314496 -5.893490 182 188 193 192 H -0.940191 -1.184371 -6.925023 182 188 194 193 C -3.889984 -4.009683 -1.663518 177 194 195 196 195 194 N -3.844301 -3.101967 -2.625594 179 193 197 198 196 195 O -3.383385 -5.142521 -1.730911 178 193 197 196 HC -4.381764 -3.706810 -0.742703 221 193 198 197 H -4.259015 -2.206004 -2.455047 182 194 199 198 H -3.379468 -3.336129 -3.486580 182 194 200 199 C -4.482738 0.510817 -1.774924 177 200 201 202 201 200 N -4.528421 1.418533 -0.812848 179 199 203 204 202 201 O -4.989337 -0.622021 -1.707531 178 199 203 202 HC -3.990958 0.813690 -2.695739 221 199 204 203 H -4.113707 2.314496 -0.983395 182 200 205 204 H -4.993254 1.184371 0.048138 182 200 206 205 C -3.318015 4.009683 1.663519 177 206 207 208 207 206 N -3.363698 3.101967 2.625595 179 205 209 210 208 207 O -3.824614 5.142521 1.730912 178 205 209 208 HC -2.826235 3.706810 0.742704 221 205 210 209 H -2.948984 2.206004 2.455048 182 206 211 210 H -3.828531 3.336129 3.486581 182 206 212 211 C -2.725262 -0.510817 1.774924 177 212 213 214 213 212 N -2.679579 -1.418533 0.812848 179 211 215 216 214 213 O -2.218663 0.622021 1.707531 178 211 215 214 HC -3.217042 -0.813690 2.695739 221 211 216 215 H -3.094293 -2.314496 0.983395 182 212 217 216 H -2.214746 -1.184371 -0.048138 182 212 218 217 C -5.164539 -4.009683 5.213367 177 218 219 220 219 218 N -5.118856 -3.101967 4.251291 179 217 221 222 220 219 O -4.657940 -5.142521 5.145974 178 217 221 220 HC -5.656319 -3.706810 6.134182 221 217 222 221 H -5.533570 -2.206004 4.421838 182 218 223 222 H -4.654023 -3.336129 3.390305 182 218 224 223 C -5.757293 0.510817 5.101961 177 224 225 226 225 224 N -5.802976 1.418533 6.064037 179 223 227 228 226 225 O -6.263892 -0.622021 5.169354 178 223 227 226 HC -5.265513 0.813690 4.181146 221 223 228 227 H -5.388262 2.314496 5.893490 182 224 229 228 H -6.267809 1.184371 6.925023 182 224 230 229 C -4.592570 4.009683 8.540404 177 230 231 232 231 230 N -4.638253 3.101967 9.502480 179 229 233 234 232 231 O -5.099169 5.142521 8.607797 178 229 233 232 HC -4.100790 3.706810 7.619589 221 229 234 233 H -4.223539 2.206004 9.331933 182 230 235 234 H -5.103086 3.336129 10.363466 182 230 236 235 C -3.999817 -0.510817 8.651809 177 236 237 238 237 236 N -3.954134 -1.418533 7.689733 179 235 239 240 238 237 O -3.493218 0.622021 8.584416 178 235 239 238 HC -4.491597 -0.813690 9.572624 221 235 240 239 H -4.368848 -2.314496 7.860280 182 236 241 240 H -3.489301 -1.184371 6.828747 182 236 242 241 C -2.615429 5.031317 -8.540403 177 242 243 244 243 242 N -2.569746 5.939033 -9.502479 179 241 245 246 244 243 O -2.108830 3.898479 -8.607796 178 241 245 244 HC -3.107209 5.334190 -7.619588 221 241 246 245 H -2.984460 6.834996 -9.331932 182 242 247 246 H -2.104913 5.704871 -10.363465 182 242 248 247 C -3.208183 9.551817 -8.651809 177 248 249 250 249 248 N -3.253866 10.459533 -7.689733 179 247 251 252 250 249 O -3.714782 8.418979 -8.584416 178 247 251 250 HC -2.716403 9.854690 -9.572624 221 247 252 251 H -2.839152 11.355496 -7.860280 182 248 253 252 H -3.718699 10.225371 -6.828747 182 248 254 253 C -2.043460 13.050683 -5.213366 177 254 255 256 255 254 N -2.089143 12.142967 -4.251290 179 253 257 258 256 255 O -2.550059 14.183521 -5.145973 178 253 257 256 HC -1.551680 12.747810 -6.134181 221 253 258 257 H -1.674429 11.247004 -4.421837 182 254 259 258 H -2.553976 12.377129 -3.390304 182 254 260 259 C -1.450707 8.530183 -5.101961 177 260 261 262 261 260 N -1.405024 7.622467 -6.064037 179 259 263 264 262 261 O -0.944108 9.663021 -5.169354 178 259 263 262 HC -1.942487 8.227310 -4.181146 221 259 264 263 H -1.819738 6.726504 -5.893490 182 260 265 264 H -0.940191 7.856629 -6.925023 182 260 266 265 C -3.889984 5.031317 -1.663518 177 266 267 268 267 266 N -3.844301 5.939033 -2.625594 179 265 269 270 268 267 O -3.383385 3.898479 -1.730911 178 265 269 268 HC -4.381764 5.334190 -0.742703 221 265 270 269 H -4.259015 6.834996 -2.455047 182 266 271 270 H -3.379468 5.704871 -3.486580 182 266 272 271 C -4.482738 9.551817 -1.774924 177 272 273 274 273 272 N -4.528421 10.459533 -0.812848 179 271 275 276 274 273 O -4.989337 8.418979 -1.707531 178 271 275 274 HC -3.990958 9.854690 -2.695739 221 271 276 275 H -4.113707 11.355496 -0.983395 182 272 277 276 H -4.993254 10.225371 0.048138 182 272 278 277 C -3.318015 13.050683 1.663519 177 278 279 280 279 278 N -3.363698 12.142967 2.625595 179 277 281 282 280 279 O -3.824614 14.183521 1.730912 178 277 281 280 HC -2.826235 12.747810 0.742704 221 277 282 281 H -2.948984 11.247004 2.455048 182 278 283 282 H -3.828531 12.377129 3.486581 182 278 284 283 C -2.725262 8.530183 1.774924 177 284 285 286 285 284 N -2.679579 7.622467 0.812848 179 283 287 288 286 285 O -2.218663 9.663021 1.707531 178 283 287 286 HC -3.217042 8.227310 2.695739 221 283 288 287 H -3.094293 6.726504 0.983395 182 284 289 288 H -2.214746 7.856629 -0.048138 182 284 290 289 C -5.164539 5.031317 5.213367 177 290 291 292 291 290 N -5.118856 5.939033 4.251291 179 289 293 294 292 291 O -4.657940 3.898479 5.145974 178 289 293 292 HC -5.656319 5.334190 6.134182 221 289 294 293 H -5.533570 6.834996 4.421838 182 290 295 294 H -4.654023 5.704871 3.390305 182 290 296 295 C -5.757293 9.551817 5.101961 177 296 297 298 297 296 N -5.802976 10.459533 6.064037 179 295 299 300 298 297 O -6.263892 8.418979 5.169354 178 295 299 298 HC -5.265513 9.854690 4.181146 221 295 300 299 H -5.388262 11.355496 5.893490 182 296 301 300 H -6.267809 10.225371 6.925023 182 296 302 301 C -4.592570 13.050683 8.540404 177 302 303 304 303 302 N -4.638253 12.142967 9.502480 179 301 305 306 304 303 O -5.099169 14.183521 8.607797 178 301 305 304 HC -4.100790 12.747810 7.619589 221 301 306 305 H -4.223539 11.247004 9.331933 182 302 307 306 H -5.103086 12.377129 10.363466 182 302 308 307 C -3.999817 8.530183 8.651809 177 308 309 310 309 308 N -3.954134 7.622467 7.689733 179 307 311 312 310 309 O -3.493218 9.663021 8.584416 178 307 311 310 HC -4.491597 8.227310 9.572624 221 307 312 311 H -4.368848 6.726504 7.860280 182 308 313 312 H -3.489301 7.856629 6.828747 182 308 314 313 C 0.988571 -4.009683 -8.540403 177 314 315 316 315 314 N 1.034254 -3.101967 -9.502479 179 313 317 318 316 315 O 1.495170 -5.142521 -8.607796 178 313 317 316 HC 0.496791 -3.706810 -7.619588 221 313 318 317 H 0.619540 -2.206004 -9.331932 182 314 319 318 H 1.499087 -3.336129 -10.363465 182 314 320 319 C 0.395817 0.510817 -8.651809 177 320 321 322 321 320 N 0.350134 1.418533 -7.689733 179 319 323 324 322 321 O -0.110782 -0.622021 -8.584416 178 319 323 322 HC 0.887597 0.813690 -9.572624 221 319 324 323 H 0.764848 2.314496 -7.860280 182 320 325 324 H -0.114699 1.184371 -6.828747 182 320 326 325 C 1.560540 4.009683 -5.213366 177 326 327 328 327 326 N 1.514857 3.101967 -4.251290 179 325 329 330 328 327 O 1.053941 5.142521 -5.145973 178 325 329 328 HC 2.052320 3.706810 -6.134181 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-0.988570 4.009683 8.540404 177 350 351 352 351 350 N -1.034253 3.101967 9.502480 179 349 353 354 352 351 O -1.495169 5.142521 8.607797 178 349 353 352 HC -0.496790 3.706810 7.619589 221 349 354 353 H -0.619539 2.206004 9.331933 182 350 355 354 H -1.499086 3.336129 10.363466 182 350 356 355 C -0.395817 -0.510817 8.651809 177 356 357 358 357 356 N -0.350134 -1.418533 7.689733 179 355 359 360 358 357 O 0.110782 0.622021 8.584416 178 355 359 358 HC -0.887597 -0.813690 9.572624 221 355 360 359 H -0.764848 -2.314496 7.860280 182 356 361 360 H 0.114699 -1.184371 6.828747 182 356 362 361 C 0.988571 5.031317 -8.540403 177 362 363 364 363 362 N 1.034254 5.939033 -9.502479 179 361 365 366 364 363 O 1.495170 3.898479 -8.607796 178 361 365 364 HC 0.496791 5.334190 -7.619588 221 361 366 365 H 0.619540 6.834996 -9.331932 182 362 367 366 H 1.499087 5.704871 -10.363465 182 362 368 367 C 0.395817 9.551817 -8.651809 177 368 369 370 369 368 N 0.350134 10.459533 -7.689733 179 367 371 372 370 369 O 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-0.048138 182 548 554 553 C 2.043461 5.031317 5.213367 177 554 555 556 555 554 N 2.089144 5.939033 4.251291 179 553 557 558 556 555 O 2.550060 3.898479 5.145974 178 553 557 556 HC 1.551681 5.334190 6.134182 221 553 558 557 H 1.674430 6.834996 4.421838 182 554 559 558 H 2.553977 5.704871 3.390305 182 554 560 559 C 1.450707 9.551817 5.101961 177 560 561 562 561 560 N 1.405024 10.459533 6.064037 179 559 563 564 562 561 O 0.944108 8.418979 5.169354 178 559 563 562 HC 1.942487 9.854690 4.181146 221 559 564 563 H 1.819738 11.355496 5.893490 182 560 565 564 H 0.940191 10.225371 6.925023 182 560 566 565 C 2.615430 13.050683 8.540404 177 566 567 568 567 566 N 2.569747 12.142967 9.502480 179 565 569 570 568 567 O 2.108831 14.183521 8.607797 178 565 569 568 HC 3.107210 12.747810 7.619589 221 565 570 569 H 2.984461 11.247004 9.331933 182 566 571 570 H 2.104914 12.377129 10.363466 182 566 572 571 C 3.208183 8.530183 8.651809 177 572 573 574 573 572 N 3.253866 7.622467 7.689733 179 571 575 576 574 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-4.421837 182 590 595 594 H 8.258024 3.336129 -3.390304 182 590 596 595 C 9.361293 -0.510817 -5.101961 177 596 597 598 597 596 N 9.406976 -1.418533 -6.064037 179 595 599 600 598 597 O 9.867892 0.622021 -5.169354 178 595 599 598 HC 8.869513 -0.813690 -4.181146 221 595 600 599 H 8.992262 -2.314496 -5.893490 182 596 601 600 H 9.871809 -1.184371 -6.925023 182 596 602 601 C 6.922016 -4.009683 -1.663518 177 602 603 604 603 602 N 6.967699 -3.101967 -2.625594 179 601 605 606 604 603 O 7.428615 -5.142521 -1.730911 178 601 605 604 HC 6.430236 -3.706810 -0.742703 221 601 606 605 H 6.552985 -2.206004 -2.455047 182 602 607 606 H 7.432532 -3.336129 -3.486580 182 602 608 607 C 6.329262 0.510817 -1.774924 177 608 609 610 609 608 N 6.283579 1.418533 -0.812848 179 607 611 612 610 609 O 5.822663 -0.622021 -1.707531 178 607 611 610 HC 6.821042 0.813690 -2.695739 221 607 612 611 H 6.698293 2.314496 -0.983395 182 608 613 612 H 5.818746 1.184371 0.048138 182 608 614 613 C 7.493985 4.009683 1.663519 177 614 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7.603817 9.551817 -8.651809 177 656 657 658 657 656 N 7.558134 10.459533 -7.689733 179 655 659 660 658 657 O 7.097218 8.418979 -8.584416 178 655 659 658 HC 8.095597 9.854690 -9.572624 221 655 660 659 H 7.972848 11.355496 -7.860280 182 656 661 660 H 7.093301 10.225371 -6.828747 182 656 662 661 C 8.768540 13.050683 -5.213366 177 662 663 664 663 662 N 8.722857 12.142967 -4.251290 179 661 665 666 664 663 O 8.261941 14.183521 -5.145973 178 661 665 664 HC 9.260320 12.747810 -6.134181 221 661 666 665 H 9.137571 11.247004 -4.421837 182 662 667 666 H 8.258024 12.377129 -3.390304 182 662 668 667 C 9.361293 8.530183 -5.101961 177 668 669 670 669 668 N 9.406976 7.622467 -6.064037 179 667 671 672 670 669 O 9.867892 9.663021 -5.169354 178 667 671 670 HC 8.869513 8.227310 -4.181146 221 667 672 671 H 8.992262 6.726504 -5.893490 182 668 673 672 H 9.871809 7.856629 -6.925023 182 668 674 673 C 6.922016 5.031317 -1.663518 177 674 675 676 675 674 N 6.967699 5.939033 -2.625594 179 673 677 678 676 675 O 7.428615 3.898479 -1.730911 178 673 677 676 HC 6.430236 5.334190 -0.742703 221 673 678 677 H 6.552985 6.834996 -2.455047 182 674 679 678 H 7.432532 5.704871 -3.486580 182 674 680 679 C 6.329262 9.551817 -1.774924 177 680 681 682 681 680 N 6.283579 10.459533 -0.812848 179 679 683 684 682 681 O 5.822663 8.418979 -1.707531 178 679 683 682 HC 6.821042 9.854690 -2.695739 221 679 684 683 H 6.698293 11.355496 -0.983395 182 680 685 684 H 5.818746 10.225371 0.048138 182 680 686 685 C 7.493985 13.050683 1.663519 177 686 687 688 687 686 N 7.448302 12.142967 2.625595 179 685 689 690 688 687 O 6.987386 14.183521 1.730912 178 685 689 688 HC 7.985765 12.747810 0.742704 221 685 690 689 H 7.863016 11.247004 2.455048 182 686 691 690 H 6.983469 12.377129 3.486581 182 686 692 691 C 8.086738 8.530183 1.774924 177 692 693 694 693 692 N 8.132421 7.622467 0.812848 179 691 695 696 694 693 O 8.593337 9.663021 1.707531 178 691 695 694 HC 7.594958 8.227310 2.695739 221 691 696 695 H 7.717707 6.726504 0.983395 182 692 697 696 H 8.597254 7.856629 -0.048138 182 692 698 697 C 5.647461 5.031317 5.213367 177 698 699 700 699 698 N 5.693144 5.939033 4.251291 179 697 701 702 700 699 O 6.154060 3.898479 5.145974 178 697 701 700 HC 5.155681 5.334190 6.134182 221 697 702 701 H 5.278430 6.834996 4.421838 182 698 703 702 H 6.157977 5.704871 3.390305 182 698 704 703 C 5.054707 9.551817 5.101961 177 704 705 706 705 704 N 5.009024 10.459533 6.064037 179 703 707 708 706 705 O 4.548108 8.418979 5.169354 178 703 707 706 HC 5.546487 9.854690 4.181146 221 703 708 707 H 5.423738 11.355496 5.893490 182 704 709 708 H 4.544191 10.225371 6.925023 182 704 710 709 C 6.219430 13.050683 8.540404 177 710 711 712 711 710 N 6.173747 12.142967 9.502480 179 709 713 714 712 711 O 5.712831 14.183521 8.607797 178 709 713 712 HC 6.711210 12.747810 7.619589 221 709 714 713 H 6.588461 11.247004 9.331933 182 710 715 714 H 5.708914 12.377129 10.363466 182 710 716 715 C 6.812183 8.530183 8.651809 177 716 717 718 717 716 N 6.857866 7.622467 7.689733 179 715 719 720 718 717 O 7.318782 9.663021 8.584416 178 715 719 718 HC 6.320403 8.227310 9.572624 221 715 720 719 H 6.443152 6.726504 7.860280 182 716 721 720 H 7.322699 7.856629 6.828747 182 716 722 721 C 11.800571 -4.009683 -8.540403 177 722 723 724 723 722 N 11.846254 -3.101967 -9.502479 179 721 725 726 724 723 O 12.307170 -5.142521 -8.607796 178 721 725 724 HC 11.308791 -3.706810 -7.619588 221 721 726 725 H 11.431540 -2.206004 -9.331932 182 722 727 726 H 12.311087 -3.336129 -10.363465 182 722 728 727 C 11.207817 0.510817 -8.651809 177 728 729 730 729 728 N 11.162134 1.418533 -7.689733 179 727 731 732 730 729 O 10.701218 -0.622021 -8.584416 178 727 731 730 HC 11.699597 0.813690 -9.572624 221 727 732 731 H 11.576848 2.314496 -7.860280 182 728 733 732 H 10.697301 1.184371 -6.828747 182 728 734 733 C 12.372540 4.009683 -5.213366 177 734 735 736 735 734 N 12.326857 3.101967 -4.251290 179 733 737 738 736 735 O 11.865941 5.142521 -5.145973 178 733 737 736 HC 12.864320 3.706810 -6.134181 221 733 738 737 H 12.741571 2.206004 -4.421837 182 734 739 738 H 11.862024 3.336129 -3.390304 182 734 740 739 C 12.965293 -0.510817 -5.101961 177 740 741 742 741 740 N 13.010976 -1.418533 -6.064037 179 739 743 744 742 741 O 13.471892 0.622021 -5.169354 178 739 743 742 HC 12.473513 -0.813690 -4.181146 221 739 744 743 H 12.596262 -2.314496 -5.893490 182 740 745 744 H 13.475809 -1.184371 -6.925023 182 740 746 745 C 10.526016 -4.009683 -1.663518 177 746 747 748 747 746 N 10.571699 -3.101967 -2.625594 179 745 749 750 748 747 O 11.032615 -5.142521 -1.730911 178 745 749 748 HC 10.034236 -3.706810 -0.742703 221 745 750 749 H 10.156985 -2.206004 -2.455047 182 746 751 750 H 11.036532 -3.336129 -3.486580 182 746 752 751 C 9.933262 0.510817 -1.774924 177 752 753 754 753 752 N 9.887579 1.418533 -0.812848 179 751 755 756 754 753 O 9.426663 -0.622021 -1.707531 178 751 755 754 HC 10.425042 0.813690 -2.695739 221 751 756 755 H 10.302293 2.314496 -0.983395 182 752 757 756 H 9.422746 1.184371 0.048138 182 752 758 757 C 11.097985 4.009683 1.663519 177 758 759 760 759 758 N 11.052302 3.101967 2.625595 179 757 761 762 760 759 O 10.591386 5.142521 1.730912 178 757 761 760 HC 11.589765 3.706810 0.742704 221 757 762 761 H 11.467016 2.206004 2.455048 182 758 763 762 H 10.587469 3.336129 3.486581 182 758 764 763 C 11.690738 -0.510817 1.774924 177 764 765 766 765 764 N 11.736421 -1.418533 0.812848 179 763 767 768 766 765 O 12.197337 0.622021 1.707531 178 763 767 766 HC 11.198958 -0.813690 2.695739 221 763 768 767 H 11.321707 -2.314496 0.983395 182 764 769 768 H 12.201254 -1.184371 -0.048138 182 764 770 769 C 9.251461 -4.009683 5.213367 177 770 771 772 771 770 N 9.297144 -3.101967 4.251291 179 769 773 774 772 771 O 9.758060 -5.142521 5.145974 178 769 773 772 HC 8.759681 -3.706810 6.134182 221 769 774 773 H 8.882430 -2.206004 4.421838 182 770 775 774 H 9.761977 -3.336129 3.390305 182 770 776 775 C 8.658707 0.510817 5.101961 177 776 777 778 777 776 N 8.613024 1.418533 6.064037 179 775 779 780 778 777 O 8.152108 -0.622021 5.169354 178 775 779 778 HC 9.150487 0.813690 4.181146 221 775 780 779 H 9.027738 2.314496 5.893490 182 776 781 780 H 8.148191 1.184371 6.925023 182 776 782 781 C 9.823430 4.009683 8.540404 177 782 783 784 783 782 N 9.777747 3.101967 9.502480 179 781 785 786 784 783 O 9.316831 5.142521 8.607797 178 781 785 784 HC 10.315210 3.706810 7.619589 221 781 786 785 H 10.192461 2.206004 9.331933 182 782 787 786 H 9.312914 3.336129 10.363466 182 782 788 787 C 10.416183 -0.510817 8.651809 177 788 789 790 789 788 N 10.461866 -1.418533 7.689733 179 787 791 792 790 789 O 10.922782 0.622021 8.584416 178 787 791 790 HC 9.924403 -0.813690 9.572624 221 787 792 791 H 10.047152 -2.314496 7.860280 182 788 793 792 H 10.926699 -1.184371 6.828747 182 788 794 793 C 11.800571 5.031317 -8.540403 177 794 795 796 795 794 N 11.846254 5.939033 -9.502479 179 793 797 798 796 795 O 12.307170 3.898479 -8.607796 178 793 797 796 HC 11.308791 5.334190 -7.619588 221 793 798 797 H 11.431540 6.834996 -9.331932 182 794 799 798 H 12.311087 5.704871 -10.363465 182 794 800 799 C 11.207817 9.551817 -8.651809 177 800 801 802 801 800 N 11.162134 10.459533 -7.689733 179 799 803 804 802 801 O 10.701218 8.418979 -8.584416 178 799 803 802 HC 11.699597 9.854690 -9.572624 221 799 804 803 H 11.576848 11.355496 -7.860280 182 800 805 804 H 10.697301 10.225371 -6.828747 182 800 806 805 C 12.372540 13.050683 -5.213366 177 806 807 808 807 806 N 12.326857 12.142967 -4.251290 179 805 809 810 808 807 O 11.865941 14.183521 -5.145973 178 805 809 808 HC 12.864320 12.747810 -6.134181 221 805 810 809 H 12.741571 11.247004 -4.421837 182 806 811 810 H 11.862024 12.377129 -3.390304 182 806 812 811 C 12.965293 8.530183 -5.101961 177 812 813 814 813 812 N 13.010976 7.622467 -6.064037 179 811 815 816 814 813 O 13.471892 9.663021 -5.169354 178 811 815 814 HC 12.473513 8.227310 -4.181146 221 811 816 815 H 12.596262 6.726504 -5.893490 182 812 817 816 H 13.475809 7.856629 -6.925023 182 812 818 817 C 10.526016 5.031317 -1.663518 177 818 819 820 819 818 N 10.571699 5.939033 -2.625594 179 817 821 822 820 819 O 11.032615 3.898479 -1.730911 178 817 821 820 HC 10.034236 5.334190 -0.742703 221 817 822 821 H 10.156985 6.834996 -2.455047 182 818 823 822 H 11.036532 5.704871 -3.486580 182 818 824 823 C 9.933262 9.551817 -1.774924 177 824 825 826 825 824 N 9.887579 10.459533 -0.812848 179 823 827 828 826 825 O 9.426663 8.418979 -1.707531 178 823 827 826 HC 10.425042 9.854690 -2.695739 221 823 828 827 H 10.302293 11.355496 -0.983395 182 824 829 828 H 9.422746 10.225371 0.048138 182 824 830 829 C 11.097985 13.050683 1.663519 177 830 831 832 831 830 N 11.052302 12.142967 2.625595 179 829 833 834 832 831 O 10.591386 14.183521 1.730912 178 829 833 832 HC 11.589765 12.747810 0.742704 221 829 834 833 H 11.467016 11.247004 2.455048 182 830 835 834 H 10.587469 12.377129 3.486581 182 830 836 835 C 11.690738 8.530183 1.774924 177 836 837 838 837 836 N 11.736421 7.622467 0.812848 179 835 839 840 838 837 O 12.197337 9.663021 1.707531 178 835 839 838 HC 11.198958 8.227310 2.695739 221 835 840 839 H 11.321707 6.726504 0.983395 182 836 841 840 H 12.201254 7.856629 -0.048138 182 836 842 841 C 9.251461 5.031317 5.213367 177 842 843 844 843 842 N 9.297144 5.939033 4.251291 179 841 845 846 844 843 O 9.758060 3.898479 5.145974 178 841 845 844 HC 8.759681 5.334190 6.134182 221 841 846 845 H 8.882430 6.834996 4.421838 182 842 847 846 H 9.761977 5.704871 3.390305 182 842 848 847 C 8.658707 9.551817 5.101961 177 848 849 850 849 848 N 8.613024 10.459533 6.064037 179 847 851 852 850 849 O 8.152108 8.418979 5.169354 178 847 851 850 HC 9.150487 9.854690 4.181146 221 847 852 851 H 9.027738 11.355496 5.893490 182 848 853 852 H 8.148191 10.225371 6.925023 182 848 854 853 C 9.823430 13.050683 8.540404 177 854 855 856 855 854 N 9.777747 12.142967 9.502480 179 853 857 858 856 855 O 9.316831 14.183521 8.607797 178 853 857 856 HC 10.315210 12.747810 7.619589 221 853 858 857 H 10.192461 11.247004 9.331933 182 854 859 858 H 9.312914 12.377129 10.363466 182 854 860 859 C 10.416183 8.530183 8.651809 177 860 861 862 861 860 N 10.461866 7.622467 7.689733 179 859 863 864 862 861 O 10.922782 9.663021 8.584416 178 859 863 862 HC 9.924403 8.227310 9.572624 221 859 864 863 H 10.047152 6.726504 7.860280 182 860 865 864 H 10.926699 7.856629 6.828747 182 860 866