758 DNA B-Form Dodecamer, d(CGCGAATTCGCG) 1 O -0.126000 0.057000 0.039000 348 2 9 2 C -0.055000 0.018000 1.460000 337 1 3 10 11 3 C 1.370000 -0.015000 2.031000 328 2 4 6 12 4 O 1.775000 -1.379000 2.228000 332 3 5 5 C 2.633000 -1.754000 1.177000 331 4 7 16 17 6 C 2.307000 0.761000 1.117000 329 3 7 8 13 7 C 2.835000 -0.457000 0.448000 330 5 6 14 15 8 O 3.299000 1.463000 1.831000 338 6 29 9 H -1.015000 0.008000 -0.297000 342 1 10 H -0.557000 -0.879000 1.816000 340 2 11 H -0.531000 0.914000 1.844000 340 2 12 H 1.407000 0.472000 3.000000 336 3 13 H 1.839000 1.423000 0.388000 335 6 14 H 2.679000 -0.452000 -0.636000 333 7 15 H 3.826000 -0.378000 0.724000 333 7 16 H 3.625000 -2.060000 1.556000 334 5 17 N 2.106000 -2.856000 0.344000 262 5 18 24 18 C 2.605000 -4.151000 0.552000 266 17 19 20 19 O 3.420000 -4.408000 1.441000 270 18 20 N 2.132000 -5.187000 -0.189000 268 18 21 21 C 1.270000 -4.909000 -1.150000 267 20 22 23 22 N 0.714000 -5.905000 -1.765000 264 21 25 26 23 C 0.778000 -3.622000 -1.453000 263 21 24 27 24 C 1.256000 -2.611000 -0.707000 265 17 23 28 25 H 1.214000 -6.779000 -1.656000 272 22 26 H 0.235000 -5.726000 -2.616000 272 22 27 H 0.136000 -3.414000 -2.288000 269 23 28 H 1.024000 -1.602000 -0.996000 271 24 29 P 3.776000 2.940000 1.399000 343 8 30 31 32 30 O 3.965000 2.985000 -0.058000 344 29 31 O 2.832000 3.894000 2.020000 344 29 32 O 5.204000 2.970000 2.164000 341 29 33 33 C 5.406000 2.389000 3.467000 337 32 34 40 41 34 C 6.724000 1.631000 3.670000 328 33 35 37 42 35 O 6.567000 0.253000 3.262000 332 34 36 36 C 7.140000 0.100000 1.992000 331 35 38 46 47 37 C 7.829000 2.384000 2.962000 329 34 38 39 43 38 C 7.742000 1.449000 1.837000 330 36 37 44 45 39 O 9.095000 2.358000 3.574000 338 37 62 40 H 4.644000 1.642000 3.656000 340 33 41 H 5.347000 3.163000 4.224000 340 33 42 H 7.017000 1.619000 4.710000 336 34 43 H 7.594000 3.391000 2.609000 335 37 44 H 7.367000 2.046000 1.017000 333 38 45 H 8.707000 1.065000 1.791000 333 38 46 H 7.954000 -0.642000 1.956000 334 36 47 N 6.286000 -0.259000 0.853000 281 36 48 57 48 C 5.693000 0.574000 -0.055000 276 47 49 58 49 N 5.141000 -0.026000 -1.072000 282 48 50 50 C 5.391000 -1.365000 -0.778000 279 49 51 57 51 C 4.749000 -2.534000 -1.247000 274 50 52 53 52 O 3.750000 -2.597000 -1.925000 285 51 53 N 5.332000 -3.705000 -0.810000 277 51 54 59 54 C 6.304000 -3.733000 0.124000 273 53 55 56 55 N 6.783000 -4.904000 0.459000 278 54 60 61 56 N 6.721000 -2.679000 0.811000 283 54 57 57 C 6.200000 -1.505000 0.316000 275 47 50 56 58 H 5.645000 1.627000 0.087000 286 48 59 H 5.032000 -4.557000 -1.254000 284 53 60 H 6.563000 -5.698000 -0.124000 287 55 61 H 7.592000 -4.859000 1.048000 287 55 62 P 10.058000 3.654000 3.630000 343 39 63 64 65 63 O 10.144000 4.280000 2.298000 344 62 64 O 9.624000 4.483000 4.771000 344 62 65 O 11.446000 2.890000 3.983000 341 62 66 66 C 11.512000 1.738000 4.841000 337 65 67 73 74 67 C 12.442000 0.611000 4.377000 328 66 68 70 75 68 O 11.725000 -0.302000 3.521000 332 67 69 69 C 12.075000 -0.045000 2.180000 331 68 71 79 80 70 C 13.671000 1.215000 3.726000 329 67 71 72 76 71 C 13.161000 0.978000 2.355000 330 69 70 77 78 72 O 14.859000 0.493000 3.989000 338 70 92 73 H 10.539000 1.264000 4.913000 340 66 74 H 11.830000 2.052000 5.827000 340 66 75 H 12.799000 0.039000 5.227000 336 67 76 H 13.829000 2.281000 3.888000 335 70 77 H 13.121000 1.899000 1.767000 333 71 78 H 13.874000 0.317000 2.028000 333 71 79 H 12.531000 -0.933000 1.714000 334 69 80 N 11.013000 0.391000 1.250000 262 69 81 87 81 C 10.383000 -0.549000 0.431000 266 80 82 83 82 O 10.675000 -1.749000 0.471000 270 81 83 N 9.404000 -0.162000 -0.427000 268 81 84 84 C 9.163000 1.132000 -0.546000 267 83 85 86 85 N 8.044000 1.483000 -1.092000 264 84 88 89 86 C 9.820000 2.144000 0.194000 263 84 87 90 87 C 10.752000 1.723000 1.069000 265 80 86 91 88 H 7.497000 0.755000 -1.544000 272 85 89 H 7.671000 2.400000 -1.026000 272 85 90 H 9.458000 3.158000 0.261000 269 86 91 H 11.230000 2.431000 1.703000 271 87 92 P 16.266000 1.227000 4.259000 343 72 93 94 95 93 O 16.476000 2.299000 3.274000 344 92 94 O 16.329000 1.564000 5.698000 344 92 95 O 17.254000 -0.019000 3.942000 341 92 96 96 C 16.947000 -1.375000 4.312000 337 95 97 103 104 97 C 17.318000 -2.436000 3.270000 328 96 98 100 105 98 O 16.233000 -2.637000 2.349000 332 97 99 99 C 16.527000 -1.945000 1.167000 331 98 101 109 110 100 C 18.620000 -2.032000 2.604000 329 97 101 102 106 101 C 17.918000 -1.466000 1.427000 330 99 100 107 108 102 O 19.444000 -3.134000 2.277000 338 100 125 103 H 15.878000 -1.491000 4.446000 340 96 104 H 17.453000 -1.625000 5.236000 340 96 105 H 17.497000 -3.395000 3.740000 336 97 106 H 19.200000 -1.258000 3.105000 335 100 107 H 18.151000 -0.408000 1.269000 333 101 108 H 18.285000 -2.097000 0.708000 333 101 109 H 16.536000 -2.600000 0.281000 334 99 110 N 15.646000 -0.850000 0.804000 281 99 111 120 111 C 15.853000 0.479000 1.041000 276 110 112 121 112 N 15.066000 1.271000 0.367000 282 111 113 113 C 14.271000 0.361000 -0.328000 279 112 114 120 114 C 13.050000 0.564000 -0.986000 274 113 115 116 115 O 12.444000 1.598000 -1.014000 285 114 116 N 12.553000 -0.543000 -1.636000 277 114 117 122 117 C 13.169000 -1.740000 -1.594000 273 116 118 119 118 N 12.659000 -2.699000 -2.320000 278 117 123 124 119 N 14.191000 -2.041000 -0.797000 283 117 120 120 C 14.668000 -0.930000 -0.139000 275 110 113 119 121 H 16.604000 0.831000 1.704000 286 111 122 H 11.725000 -0.410000 -2.197000 284 116 123 H 11.918000 -2.474000 -2.972000 287 118 124 H 13.208000 -3.531000 -2.371000 287 118 125 P 21.045000 -3.092000 2.451000 343 102 126 127 128 126 O 21.578000 -1.830000 1.914000 344 125 127 O 21.362000 -3.456000 3.849000 344 125 128 O 21.430000 -4.321000 1.464000 341 125 129 129 C 20.644000 -5.522000 1.366000 337 128 130 136 137 130 C 20.474000 -6.075000 -0.053000 328 129 131 133 138 131 O 19.328000 -5.488000 -0.692000 332 130 132 132 C 19.768000 -4.487000 -1.571000 331 131 134 142 143 133 C 21.764000 -5.865000 -0.824000 329 130 134 135 139 134 C 21.258000 -4.654000 -1.519000 330 132 133 140 141 135 O 22.054000 -6.920000 -1.720000 338 133 157 136 H 19.632000 -5.333000 1.707000 340 129 137 H 21.086000 -6.299000 1.979000 340 129 138 H 20.296000 -7.144000 -0.029000 336 130 139 H 22.643000 -5.623000 -0.226000 335 133 140 H 21.868000 -3.772000 -1.302000 333 134 141 H 21.319000 -4.985000 -2.492000 333 134 142 H 19.434000 -4.661000 -2.606000 334 132 143 N 19.352000 -3.119000 -1.254000 252 132 144 152 144 C 20.086000 -2.182000 -0.585000 248 143 145 153 145 N 19.630000 -0.956000 -0.681000 255 144 146 146 C 18.485000 -1.152000 -1.458000 250 145 147 152 147 C 17.400000 -0.350000 -1.752000 249 146 148 149 148 N 17.276000 0.810000 -1.202000 253 147 154 155 149 N 16.446000 -0.737000 -2.604000 257 147 150 150 C 16.551000 -1.965000 -3.090000 254 149 151 156 151 N 17.417000 -2.913000 -2.759000 256 150 152 152 C 18.352000 -2.439000 -1.883000 247 143 146 151 153 H 20.976000 -2.430000 -0.066000 258 144 154 H 16.399000 1.317000 -1.296000 260 148 155 H 17.819000 1.076000 -0.396000 260 148 156 H 15.818000 -2.249000 -3.832000 259 150 157 P 23.548000 -7.475000 -1.948000 343 135 158 159 160 158 O 24.492000 -6.357000 -2.093000 344 157 159 O 23.822000 -8.494000 -0.910000 344 157 160 O 23.319000 -8.207000 -3.383000 341 157 161 161 C 22.109000 -8.922000 -3.714000 337 160 162 168 169 162 C 21.563000 -8.731000 -5.145000 328 161 163 165 170 163 O 20.705000 -7.570000 -5.196000 332 162 164 164 C 21.423000 -6.494000 -5.737000 331 163 166 174 175 165 C 22.744000 -8.686000 -6.094000 329 162 166 167 171 166 C 22.673000 -7.202000 -6.113000 330 164 165 172 173 167 O 22.630000 -9.192000 -7.425000 338 165 189 168 H 21.303000 -8.586000 -3.073000 340 161 169 H 22.269000 -9.982000 -3.555000 340 161 170 H 20.977000 -9.583000 -5.456000 336 162 171 H 23.666000 -9.032000 -5.631000 335 165 172 H 23.558000 -6.834000 -5.609000 333 166 173 H 22.571000 -6.990000 -7.130000 333 166 174 H 20.966000 -6.087000 -6.653000 334 164 175 N 21.705000 -5.308000 -4.902000 252 164 176 184 176 C 22.827000 -5.028000 -4.167000 248 175 177 185 177 N 22.868000 -3.830000 -3.645000 255 176 178 178 C 21.665000 -3.298000 -4.117000 250 177 179 184 179 C 20.933000 -2.171000 -3.792000 249 178 180 181 180 N 21.282000 -1.421000 -2.810000 253 179 186 187 181 N 19.834000 -1.822000 -4.466000 257 179 182 182 C 19.419000 -2.664000 -5.398000 254 181 183 188 183 N 19.907000 -3.857000 -5.707000 256 182 184 184 C 21.026000 -4.135000 -4.978000 247 175 178 183 185 H 23.567000 -5.759000 -3.958000 258 176 186 H 20.712000 -0.634000 -2.521000 260 180 187 H 22.029000 -1.664000 -2.180000 260 180 188 H 18.561000 -2.351000 -5.975000 259 182 189 P 23.692000 -10.192000 -8.198000 343 167 190 191 192 190 O 25.041000 -9.674000 -8.422000 344 189 191 O 23.568000 -11.549000 -7.619000 344 189 192 O 23.028000 -10.123000 -9.663000 341 189 193 193 C 21.623000 -10.074000 -9.892000 337 192 194 200 201 194 C 21.131000 -9.081000 -10.963000 328 193 195 197 202 195 O 20.845000 -7.805000 -10.345000 332 194 196 196 C 21.885000 -6.898000 -10.623000 331 195 198 206 207 197 C 22.146000 -9.017000 -12.089000 329 194 198 199 203 198 C 22.673000 -7.736000 -11.559000 330 196 197 204 205 199 O 21.737000 -8.820000 -13.445000 338 197 221 200 H 21.106000 -9.783000 -8.984000 340 193 201 H 21.335000 -11.072000 -10.186000 340 193 202 H 20.223000 -9.450000 -11.417000 336 194 203 H 22.898000 -9.802000 -12.025000 335 197 204 H 23.678000 -7.936000 -11.230000 333 198 205 H 22.560000 -7.077000 -12.361000 333 198 206 H 21.517000 -6.031000 -11.194000 334 196 207 N 22.714000 -6.321000 -9.521000 292 196 208 215 208 C 22.330000 -5.062000 -9.048000 294 207 209 210 209 O 21.414000 -4.405000 -9.538000 296 208 210 N 23.026000 -4.591000 -7.970000 293 208 211 216 211 C 24.129000 -5.207000 -7.397000 290 210 212 213 212 O 24.544000 -4.855000 -6.330000 298 211 213 C 24.581000 -6.447000 -7.994000 289 211 214 215 214 C 25.537000 -7.314000 -7.148000 288 213 217 218 219 215 C 23.842000 -6.949000 -9.021000 291 207 213 220 216 H 22.656000 -3.767000 -7.510000 299 210 217 H 25.805000 -6.849000 -6.202000 295 214 218 H 26.390000 -7.633000 -7.727000 295 214 219 H 25.057000 -8.195000 -6.757000 295 214 220 H 24.064000 -7.929000 -9.352000 297 215 221 P 22.252000 -9.665000 -14.763000 343 199 222 223 224 222 O 23.669000 -9.543000 -15.116000 344 221 223 O 21.664000 -11.021000 -14.722000 344 221 224 O 21.546000 -8.760000 -15.887000 341 221 225 225 C 20.261000 -8.170000 -15.731000 337 224 226 232 233 226 C 20.127000 -6.720000 -16.208000 328 225 227 229 234 227 O 20.413000 -5.818000 -15.115000 332 226 228 228 C 21.696000 -5.267000 -15.275000 331 227 230 238 239 229 C 20.989000 -6.502000 -17.436000 329 226 230 231 235 230 C 22.000000 -5.825000 -16.619000 330 228 229 236 237 231 O 20.487000 -5.645000 -18.435000 338 229 253 232 H 19.979000 -8.139000 -14.684000 340 225 233 H 19.572000 -8.783000 -16.291000 340 225 234 H 19.114000 -6.530000 -16.534000 336 226 235 H 21.439000 -7.391000 -17.884000 335 229 236 H 22.862000 -6.469000 -16.688000 333 230 237 H 22.049000 -4.879000 -17.051000 333 230 238 H 21.652000 -4.170000 -15.373000 334 228 239 N 22.764000 -5.520000 -14.268000 292 228 240 247 240 C 22.954000 -4.541000 -13.288000 294 239 241 242 241 O 22.343000 -3.475000 -13.260000 296 240 242 N 23.876000 -4.838000 -12.325000 293 240 243 248 243 C 24.688000 -5.965000 -12.308000 290 242 244 245 244 O 25.287000 -6.273000 -11.319000 298 243 245 C 24.562000 -6.890000 -13.415000 289 243 246 247 246 C 25.163000 -8.297000 -13.211000 288 245 249 250 251 247 C 23.586000 -6.629000 -14.329000 291 239 245 252 248 H 23.890000 -4.234000 -11.509000 299 242 249 H 25.673000 -8.406000 -12.255000 295 246 250 H 25.772000 -8.590000 -14.051000 295 246 251 H 24.409000 -9.055000 -13.067000 295 246 252 H 23.347000 -7.376000 -15.037000 297 247 253 P 20.649000 -5.946000 -20.011000 343 231 254 255 256 254 O 22.050000 -6.273000 -20.345000 344 253 255 O 19.595000 -6.887000 -20.430000 344 253 256 O 20.303000 -4.452000 -20.559000 341 253 257 257 C 19.323000 -3.598000 -19.936000 337 256 258 264 265 258 C 19.715000 -2.120000 -19.805000 328 257 259 261 266 259 O 20.418000 -1.898000 -18.571000 332 258 260 260 C 21.797000 -1.801000 -18.825000 331 259 262 270 271 261 C 20.522000 -1.704000 -21.024000 329 258 262 263 267 262 C 21.833000 -1.810000 -20.331000 330 260 261 268 269 263 O 20.281000 -0.378000 -21.461000 338 261 283 264 H 19.130000 -3.915000 -18.915000 340 257 265 H 18.399000 -3.655000 -20.497000 340 257 266 H 18.826000 -1.497000 -19.780000 336 258 267 H 20.483000 -2.394000 -21.865000 335 261 268 H 22.505000 -2.511000 -20.832000 333 262 269 H 22.150000 -0.836000 -20.393000 333 262 270 H 22.175000 -0.827000 -18.484000 334 260 271 N 22.677000 -2.814000 -18.203000 262 260 272 278 272 C 23.350000 -2.517000 -17.015000 266 271 273 274 273 O 23.247000 -1.412000 -16.474000 270 272 274 N 24.196000 -3.424000 -16.461000 268 272 275 275 C 24.419000 -4.546000 -17.121000 267 274 276 277 276 N 24.946000 -5.534000 -16.478000 264 275 279 280 277 C 23.852000 -4.865000 -18.377000 263 275 278 281 278 C 22.994000 -3.959000 -18.881000 265 271 277 282 279 H 25.233000 -5.355000 -15.521000 272 276 280 H 24.903000 -6.477000 -16.790000 272 276 281 H 23.870000 -5.861000 -18.793000 269 277 282 H 22.474000 -4.177000 -19.779000 271 278 283 P 20.191000 0.027000 -23.013000 343 263 284 285 286 284 O 21.324000 -0.526000 -23.783000 344 283 285 O 18.823000 -0.220000 -23.507000 344 283 286 O 20.423000 1.630000 -22.851000 341 283 287 287 C 19.862000 2.393000 -21.760000 337 286 288 294 295 288 C 20.776000 3.471000 -21.159000 328 287 289 291 296 289 O 21.600000 2.904000 -20.123000 332 288 290 290 C 22.874000 2.656000 -20.633000 331 289 292 300 301 291 C 21.562000 4.118000 -22.285000 329 288 292 293 297 292 C 22.734000 3.283000 -21.974000 330 290 291 298 299 293 O 21.865000 5.491000 -22.163000 338 291 316 294 H 19.637000 1.739000 -20.923000 340 287 295 H 18.945000 2.875000 -22.081000 340 287 296 H 20.200000 4.262000 -20.699000 336 288 297 H 21.216000 3.895000 -23.296000 335 291 298 H 22.855000 2.620000 -22.821000 333 292 299 H 23.472000 3.985000 -21.775000 333 292 300 H 23.667000 3.174000 -20.073000 334 290 301 N 23.353000 1.277000 -20.718000 281 290 302 311 302 C 23.314000 0.445000 -21.799000 276 301 303 312 303 N 24.030000 -0.635000 -21.690000 282 302 304 304 C 24.499000 -0.515000 -20.380000 279 303 305 311 305 C 25.047000 -1.475000 -19.511000 274 304 306 307 306 O 25.128000 -2.645000 -19.726000 285 305 307 N 25.553000 -0.969000 -18.338000 277 305 308 313 308 C 25.416000 0.323000 -17.991000 273 307 309 310 309 N 26.055000 0.726000 -16.930000 278 308 314 315 310 N 24.755000 1.239000 -18.698000 283 308 311 311 C 24.235000 0.713000 -19.853000 275 301 304 310 312 H 22.697000 0.641000 -22.635000 286 302 313 H 26.024000 -1.625000 -17.728000 284 307 314 H 26.553000 0.047000 -16.365000 287 309 315 H 25.943000 1.684000 -16.682000 287 309 316 P 21.772000 6.530000 -23.393000 343 293 317 318 319 317 O 22.521000 6.025000 -24.568000 344 316 318 O 20.376000 6.952000 -23.588000 344 316 319 O 22.627000 7.742000 -22.717000 341 316 320 320 C 22.552000 8.064000 -21.312000 337 319 321 327 328 321 C 23.891000 8.400000 -20.639000 328 320 322 324 329 322 O 24.522000 7.203000 -20.156000 332 321 323 323 C 25.544000 6.809000 -21.036000 331 322 325 333 334 324 C 24.774000 9.158000 -21.621000 329 321 325 326 330 325 C 25.599000 7.975000 -21.994000 330 323 324 331 332 326 O 25.588000 10.162000 -21.038000 338 324 346 327 H 22.168000 7.222000 -20.742000 340 320 328 H 21.882000 8.904000 -21.172000 340 320 329 H 23.727000 9.046000 -19.781000 336 321 330 H 24.253000 9.550000 -22.494000 335 324 331 H 25.538000 7.762000 -23.062000 333 325 332 H 26.535000 8.293000 -21.697000 333 325 333 H 26.497000 6.773000 -20.492000 334 323 334 N 25.409000 5.489000 -21.701000 262 323 335 341 335 C 26.059000 4.370000 -21.174000 266 334 336 337 336 O 26.788000 4.462000 -20.184000 270 335 337 N 25.998000 3.175000 -21.825000 268 335 338 338 C 25.360000 3.109000 -22.980000 267 337 339 340 339 N 25.012000 1.948000 -23.436000 264 338 342 343 340 C 24.749000 4.226000 -23.604000 263 338 341 344 341 C 24.819000 5.393000 -22.929000 265 334 340 345 342 H 25.260000 1.139000 -22.853000 272 339 343 H 24.219000 1.826000 -24.026000 272 339 344 H 24.006000 4.127000 -24.382000 269 340 345 H 24.290000 6.242000 -23.281000 271 341 346 P 25.847000 11.586000 -21.733000 343 326 347 348 349 347 O 26.235000 11.428000 -23.150000 344 346 348 O 24.750000 12.512000 -21.403000 344 346 349 O 27.186000 12.021000 -20.905000 341 346 350 350 C 27.349000 11.741000 -19.504000 337 349 351 357 358 351 C 28.779000 11.306000 -19.126000 328 350 352 354 359 352 O 28.958000 9.909000 -19.297000 332 351 353 353 C 29.719000 9.646000 -20.457000 331 352 355 363 365 354 C 29.879000 12.017000 -19.927000 329 351 355 356 360 355 C 30.220000 10.992000 -21.003000 330 353 354 361 362 356 O 31.021000 12.316000 -19.130000 347 354 364 357 H 26.699000 10.922000 -19.195000 340 350 358 H 27.057000 12.604000 -18.909000 340 350 359 H 28.925000 11.518000 -18.067000 336 351 360 H 29.477000 12.924000 -20.385000 335 354 361 H 29.700000 11.288000 -21.912000 333 355 362 H 31.283000 10.943000 -21.218000 333 355 363 H 30.555000 9.001000 -20.191000 334 353 364 H 31.690000 12.718000 -19.683000 339 356 365 N 28.961000 8.881000 -21.465000 281 353 366 375 366 C 28.312000 9.383000 -22.552000 276 365 367 376 367 N 28.009000 8.504000 -23.473000 282 366 368 368 C 28.365000 7.305000 -22.845000 279 367 369 375 369 C 28.042000 5.960000 -23.165000 274 368 370 371 370 O 27.315000 5.578000 -24.053000 285 369 371 N 28.710000 5.030000 -22.396000 277 369 372 377 372 C 29.538000 5.373000 -21.382000 273 371 373 374 373 N 30.273000 4.421000 -20.879000 278 372 378 379 374 N 29.779000 6.619000 -20.972000 283 372 375 375 C 29.052000 7.538000 -21.680000 275 365 368 374 376 H 28.018000 10.401000 -22.590000 286 366 377 H 28.544000 4.057000 -22.611000 284 371 378 H 30.094000 3.460000 -21.148000 287 373 379 H 30.869000 4.664000 -20.117000 287 373 380 O 28.539000 -2.580000 -26.780000 348 381 388 381 C 29.950000 -2.657000 -26.607000 337 380 382 389 390 382 C 30.411000 -2.771000 -25.147000 328 381 383 385 391 383 O 30.675000 -1.459000 -24.625000 332 382 384 384 C 29.591000 -1.067000 -23.816000 331 383 386 395 396 385 C 29.376000 -3.539000 -24.340000 329 382 386 387 392 386 C 28.757000 -2.315000 -23.767000 330 384 385 393 394 387 O 29.959000 -4.364000 -23.357000 338 385 408 388 H 28.276000 -2.442000 -27.684000 342 380 389 H 30.407000 -1.757000 -27.011000 340 381 390 H 30.303000 -3.544000 -27.123000 340 381 391 H 31.337000 -3.333000 -25.079000 336 382 392 H 28.639000 -4.107000 -24.908000 335 385 393 H 27.691000 -2.224000 -24.000000 333 386 394 H 28.951000 -2.486000 -22.768000 333 386 395 H 29.914000 -0.863000 -22.779000 334 384 396 N 28.882000 0.132000 -24.314000 262 384 397 403 397 C 29.144000 1.367000 -23.703000 266 396 398 399 398 O 29.985000 1.496000 -22.810000 270 397 399 N 28.518000 2.489000 -24.145000 268 397 400 400 C 27.607000 2.349000 -25.091000 267 399 401 402 401 N 27.110000 3.428000 -25.610000 264 400 404 405 402 C 27.252000 1.128000 -25.702000 263 400 403 406 403 C 27.884000 0.030000 -25.252000 265 396 402 407 404 H 27.244000 4.252000 -25.038000 272 401 405 H 26.288000 3.350000 -26.161000 272 401 406 H 26.455000 1.032000 -26.415000 269 402 407 H 27.542000 -0.933000 -25.581000 271 403 408 P 29.387000 -5.833000 -23.028000 343 387 409 410 411 409 O 27.921000 -5.779000 -22.946000 344 408 410 O 30.008000 -6.763000 -23.996000 344 408 411 O 30.037000 -6.026000 -21.556000 341 408 412 412 C 31.359000 -5.564000 -21.218000 337 411 413 419 420 413 C 31.515000 -4.920000 -19.834000 328 412 414 416 421 414 O 31.221000 -3.507000 -19.912000 332 413 415 415 C 29.925000 -3.298000 -19.420000 331 414 417 425 426 416 C 30.673000 -5.694000 -18.844000 329 413 417 418 422 417 C 29.628000 -4.670000 -18.937000 330 415 416 423 424 418 O 31.187000 -5.806000 -17.539000 338 416 441 419 H 31.659000 -4.781000 -21.904000 340 412 420 H 32.060000 -6.387000 -21.283000 340 412 421 H 32.528000 -5.010000 -19.469000 336 413 422 H 30.267000 -6.651000 -19.181000 335 416 423 H 28.798000 -5.174000 -19.415000 333 417 424 H 29.536000 -4.355000 -17.951000 333 417 425 H 29.881000 -2.616000 -18.556000 334 415 426 N 28.883000 -2.792000 -20.322000 281 415 427 436 427 C 27.965000 -3.507000 -21.041000 276 426 428 437 428 N 27.039000 -2.791000 -21.615000 282 427 429 429 C 27.408000 -1.500000 -21.241000 279 428 430 436 430 C 27.075000 -0.256000 -21.822000 274 429 431 432 431 O 26.482000 -0.068000 -22.859000 285 430 432 N 27.550000 0.833000 -21.121000 277 430 433 438 433 C 28.407000 0.719000 -20.086000 273 432 434 435 434 N 28.788000 1.822000 -19.496000 278 433 439 440 435 N 28.982000 -0.413000 -19.705000 283 433 436 436 C 28.445000 -1.504000 -20.349000 275 426 429 435 437 H 28.034000 -4.561000 -21.160000 286 427 438 H 27.193000 1.736000 -21.385000 284 432 439 H 28.282000 2.673000 -19.695000 287 434 440 H 29.308000 1.673000 -18.653000 287 434 441 P 31.075000 -7.169000 -16.678000 343 418 442 443 444 442 O 29.700000 -7.695000 -16.735000 344 441 443 O 32.184000 -8.050000 -17.094000 344 441 444 O 31.376000 -6.537000 -15.213000 341 441 445 445 C 32.307000 -5.462000 -14.998000 337 444 446 452 453 446 C 31.856000 -4.372000 -14.019000 328 445 447 449 454 447 O 31.125000 -3.346000 -14.721000 332 446 448 448 C 29.746000 -3.524000 -14.488000 331 447 450 458 459 449 C 31.072000 -5.011000 -12.889000 329 446 450 451 455 450 C 29.764000 -4.633000 -13.475000 330 448 449 456 457 451 O 31.295000 -4.399000 -11.634000 338 449 471 452 H 32.487000 -4.927000 -15.924000 340 445 453 H 33.241000 -5.874000 -14.637000 340 445 454 H 32.716000 -3.895000 -13.560000 336 446 455 H 31.145000 -6.095000 -12.804000 335 449 456 H 29.116000 -5.500000 -13.628000 333 450 457 H 29.432000 -4.001000 -12.738000 333 450 458 H 29.313000 -2.637000 -13.999000 334 448 459 N 28.871000 -3.809000 -15.644000 262 448 460 466 460 C 28.172000 -2.765000 -16.255000 266 459 461 462 461 O 28.276000 -1.596000 -15.869000 270 460 462 N 27.366000 -3.013000 -17.319000 268 460 463 463 C 27.172000 -4.273000 -17.668000 267 462 464 465 464 N 26.689000 -4.500000 -18.846000 264 463 467 468 465 C 27.786000 -5.384000 -17.041000 263 463 466 469 466 C 28.615000 -5.100000 -16.019000 265 459 465 470 467 H 26.334000 -3.701000 -19.366000 272 464 468 H 26.717000 -5.390000 -19.283000 272 464 469 H 27.806000 -6.372000 -17.475000 269 465 470 H 29.158000 -5.888000 -15.554000 271 466 471 P 31.404000 -5.251000 -10.272000 343 451 472 473 474 472 O 30.330000 -6.256000 -10.216000 344 471 473 O 32.805000 -5.702000 -10.134000 344 471 474 O 31.102000 -4.059000 -9.215000 341 471 475 475 C 31.591000 -2.717000 -9.389000 337 474 476 482 483 476 C 30.604000 -1.608000 -9.012000 328 475 477 479 484 477 O 29.784000 -1.259000 -10.140000 332 476 478 478 C 28.537000 -1.876000 -9.984000 331 477 480 488 489 479 C 29.813000 -2.052000 -7.796000 329 476 480 481 485 480 C 28.655000 -2.473000 -8.620000 330 478 479 486 487 481 O 29.504000 -0.990000 -6.914000 338 479 504 482 H 31.815000 -2.535000 -10.434000 340 475 483 H 32.490000 -2.577000 -8.801000 340 475 484 H 31.126000 -0.704000 -8.726000 336 476 485 H 30.211000 -2.902000 -7.243000 335 479 486 H 28.404000 -3.529000 -8.481000 333 480 487 H 27.957000 -1.816000 -8.257000 333 480 488 H 27.703000 -1.156000 -9.988000 334 478 489 N 28.164000 -2.874000 -10.972000 281 478 490 499 490 C 28.288000 -4.229000 -10.851000 276 489 491 500 491 N 27.621000 -4.907000 -11.743000 282 490 492 492 C 27.056000 -3.891000 -12.512000 279 491 493 499 493 C 26.480000 -3.954000 -13.789000 274 492 494 495 494 O 26.424000 -4.937000 -14.473000 285 493 495 N 25.951000 -2.767000 -14.243000 277 493 496 501 496 C 26.032000 -1.624000 -13.535000 273 495 497 498 497 N 25.417000 -0.578000 -14.019000 278 496 502 503 498 N 26.768000 -1.461000 -12.439000 283 496 499 499 C 27.306000 -2.651000 -12.004000 275 489 492 498 500 H 28.865000 -4.683000 -10.085000 286 490 501 H 25.446000 -2.796000 -15.117000 284 495 502 H 24.809000 -0.698000 -14.820000 287 497 503 H 25.385000 0.214000 -13.412000 287 497 504 P 29.552000 -1.160000 -5.312000 343 481 505 506 507 505 O 28.887000 -2.412000 -4.918000 344 504 506 O 30.944000 -0.930000 -4.870000 344 504 507 O 28.630000 0.110000 -4.903000 341 504 508 508 C 28.679000 1.369000 -5.599000 337 507 509 515 516 509 C 27.320000 2.041000 -5.826000 328 508 510 512 517 510 O 26.730000 1.590000 -7.056000 332 509 511 511 C 25.750000 0.631000 -6.758000 331 510 513 521 522 512 C 26.441000 1.799000 -4.613000 329 509 513 514 518 513 C 25.701000 0.685000 -5.259000 330 511 512 519 520 514 O 25.603000 2.897000 -4.306000 338 512 536 515 H 29.081000 1.227000 -6.596000 340 508 516 H 29.311000 2.062000 -5.056000 340 508 517 H 27.434000 3.115000 -5.918000 336 509 518 H 26.951000 1.449000 -3.716000 335 512 519 H 25.806000 -0.252000 -4.705000 333 513 520 H 24.752000 1.086000 -5.241000 333 513 521 H 24.759000 0.908000 -7.149000 334 511 522 N 25.998000 -0.724000 -7.255000 252 511 523 531 523 C 26.541000 -1.761000 -6.551000 248 522 524 532 524 N 26.391000 -2.940000 -7.105000 255 523 525 525 C 25.720000 -2.602000 -8.284000 250 524 526 531 526 C 25.453000 -3.299000 -9.446000 249 525 527 528 527 N 25.925000 -4.486000 -9.620000 253 526 533 534 528 N 24.706000 -2.779000 -10.425000 257 526 529 529 C 24.303000 -1.528000 -10.259000 254 528 530 535 530 N 24.635000 -0.673000 -9.302000 256 529 531 531 C 25.400000 -1.280000 -8.346000 247 522 525 530 532 H 27.007000 -1.618000 -5.610000 258 523 533 H 25.863000 -4.920000 -10.538000 260 527 534 H 26.667000 -4.852000 -9.044000 260 527 535 H 23.642000 -1.136000 -11.019000 259 529 536 P 25.303000 3.359000 -2.794000 343 514 537 538 539 537 O 25.005000 2.190000 -1.952000 344 536 538 O 26.388000 4.272000 -2.369000 344 536 539 O 23.945000 4.215000 -3.065000 341 536 540 540 C 23.760000 5.038000 -4.237000 337 539 541 547 548 541 C 22.365000 4.998000 -4.896000 328 540 542 544 549 542 O 22.296000 3.910000 -5.843000 332 541 543 543 C 21.625000 2.830000 -5.250000 331 542 545 553 554 544 C 21.328000 4.942000 -3.792000 329 541 545 546 550 545 C 21.207000 3.473000 -3.979000 330 543 544 551 552 546 O 20.049000 5.557000 -3.960000 338 544 568 547 H 24.435000 4.712000 -5.020000 340 540 548 H 23.982000 6.069000 -3.984000 340 540 549 H 22.161000 5.912000 -5.434000 336 541 550 H 21.743000 5.184000 -2.815000 335 544 551 H 21.615000 3.005000 -3.091000 333 545 552 H 20.188000 3.348000 -4.168000 333 545 553 H 20.720000 2.529000 -5.801000 334 543 554 N 22.349000 1.566000 -5.003000 252 543 555 563 555 C 22.974000 1.149000 -3.856000 248 554 556 564 556 N 23.404000 -0.085000 -3.872000 255 555 557 557 C 22.988000 -0.491000 -5.143000 250 556 558 563 558 C 23.286000 -1.584000 -5.935000 249 557 559 560 559 N 24.182000 -2.431000 -5.577000 253 558 565 566 560 N 22.674000 -1.800000 -7.103000 257 558 561 561 C 21.839000 -0.861000 -7.516000 254 560 562 567 562 N 21.581000 0.314000 -6.960000 256 561 563 563 C 22.240000 0.454000 -5.775000 247 554 557 562 564 H 23.178000 1.807000 -3.049000 258 555 565 H 24.457000 -3.195000 -6.185000 260 559 566 H 24.769000 -2.293000 -4.771000 260 559 567 H 21.308000 -1.065000 -8.434000 259 561 568 P 19.272000 6.535000 -2.881000 343 546 569 570 571 569 O 18.909000 5.940000 -1.595000 344 568 570 O 19.955000 7.848000 -2.858000 344 568 571 O 17.861000 6.627000 -3.650000 341 568 572 572 C 17.736000 6.697000 -5.067000 337 571 573 579 580 573 C 16.637000 5.828000 -5.709000 328 572 574 576 581 574 O 17.181000 4.532000 -6.049000 332 573 575 575 C 16.761000 3.577000 -5.104000 331 574 577 585 586 576 C 15.435000 5.779000 -4.784000 329 573 577 578 582 577 C 15.829000 4.426000 -4.321000 330 575 576 583 584 578 O 14.104000 5.717000 -5.301000 338 576 600 579 H 18.658000 6.375000 -5.539000 340 572 580 H 17.537000 7.733000 -5.297000 340 572 581 H 16.281000 6.296000 -6.615000 336 573 582 H 15.498000 6.500000 -3.971000 335 576 583 H 16.094000 4.527000 -3.284000 333 577 584 H 14.993000 3.841000 -4.541000 333 577 585 H 16.158000 2.786000 -5.578000 334 575 586 N 17.751000 2.858000 -4.247000 292 575 587 594 587 C 18.160000 1.597000 -4.693000 294 586 588 589 588 O 17.696000 1.048000 -5.689000 296 587 589 N 19.145000 0.995000 -3.961000 293 587 590 595 590 C 19.676000 1.484000 -2.776000 290 589 591 592 591 O 20.680000 1.022000 -2.316000 298 590 592 C 19.137000 2.731000 -2.272000 289 590 593 594 593 C 19.968000 3.458000 -1.195000 288 592 596 597 598 594 C 18.208000 3.363000 -3.041000 291 586 592 599 595 H 19.572000 0.166000 -4.360000 299 589 596 H 20.855000 2.904000 -0.897000 295 593 597 H 19.350000 3.759000 -0.363000 295 593 598 H 20.457000 4.339000 -1.576000 295 593 599 H 17.933000 4.347000 -2.767000 297 594 600 P 12.814000 6.622000 -4.817000 343 578 601 602 603 601 O 12.347000 6.427000 -3.442000 344 600 602 O 12.998000 8.010000 -5.294000 344 600 603 O 11.685000 5.861000 -5.668000 341 600 604 604 C 11.895000 5.354000 -6.980000 337 603 605 611 612 605 C 11.327000 3.960000 -7.260000 328 604 606 608 613 606 O 12.327000 2.957000 -6.969000 332 605 607 607 C 12.031000 2.329000 -5.747000 331 606 609 617 618 608 C 10.025000 3.776000 -6.507000 329 605 609 610 614 609 C 10.711000 2.966000 -5.496000 330 607 608 615 616 610 O 9.007000 3.037000 -7.143000 338 608 632 611 H 12.957000 5.263000 -7.190000 340 604 612 H 11.436000 6.057000 -7.658000 340 604 613 H 11.066000 3.869000 -8.305000 336 605 614 H 9.609000 4.662000 -6.022000 335 608 615 H 10.624000 3.550000 -4.594000 333 609 616 H 10.210000 2.055000 -5.551000 333 609 617 H 11.858000 1.249000 -5.883000 334 607 618 N 12.969000 2.426000 -4.594000 292 607 619 626 619 C 13.859000 1.362000 -4.412000 294 618 620 621 620 O 13.857000 0.345000 -5.100000 296 619 621 N 14.768000 1.517000 -3.404000 293 619 622 627 622 C 14.804000 2.578000 -2.508000 290 621 623 624 623 O 15.764000 2.765000 -1.818000 298 622 624 C 13.779000 3.593000 -2.640000 289 622 625 626 625 C 14.038000 4.933000 -1.918000 288 624 628 629 630 626 C 12.926000 3.474000 -3.694000 291 618 624 631 627 H 15.534000 0.853000 -3.380000 299 621 628 H 14.957000 4.930000 -1.335000 295 625 629 H 13.177000 5.246000 -1.349000 295 625 630 H 14.293000 5.730000 -2.599000 295 625 631 H 12.294000 4.289000 -3.924000 297 626 632 P 7.450000 3.447000 -7.069000 343 610 633 634 635 633 O 7.034000 3.697000 -5.674000 344 632 634 O 7.181000 4.491000 -8.074000 344 632 635 O 6.824000 2.028000 -7.568000 341 632 636 636 C 7.456000 1.202000 -8.564000 337 635 637 643 644 637 C 7.451000 -0.306000 -8.280000 328 636 638 640 645 638 O 8.608000 -0.674000 -7.512000 332 637 639 639 C 8.243000 -0.849000 -6.165000 331 638 641 649 650 640 C 6.146000 -0.684000 -7.596000 329 637 641 642 646 641 C 6.743000 -0.726000 -6.235000 330 639 640 647 648 642 O 5.634000 -1.951000 -7.969000 338 640 662 643 H 8.509000 1.451000 -8.660000 340 636 644 H 6.973000 1.368000 -9.519000 340 636 645 H 7.498000 -0.864000 -9.210000 336 637 646 H 5.362000 0.070000 -7.641000 335 640 647 H 6.244000 -0.039000 -5.548000 333 641 648 H 6.587000 -1.713000 -6.000000 333 641 649 H 8.484000 -1.871000 -5.841000 334 639 650 N 8.868000 0.046000 -5.167000 262 639 651 657 651 C 9.977000 -0.390000 -4.437000 266 650 652 653 652 O 10.443000 -1.523000 -4.588000 270 651 653 N 10.528000 0.409000 -3.487000 268 651 654 654 C 9.936000 1.559000 -3.225000 267 653 655 656 655 N 10.607000 2.454000 -2.579000 264 654 658 659 656 C 8.752000 2.015000 -3.852000 263 654 657 660 657 C 8.252000 1.215000 -4.811000 265 650 656 661 658 H 11.523000 2.181000 -2.240000 272 655 659 H 10.367000 3.419000 -2.570000 272 655 660 H 8.410000 3.036000 -3.786000 269 656 661 H 7.414000 1.538000 -5.375000 271 657 662 P 4.069000 -2.227000 -8.199000 343 642 663 664 665 663 O 3.257000 -1.699000 -7.084000 344 662 664 O 3.699000 -1.844000 -9.576000 344 662 665 O 4.097000 -3.850000 -8.081000 341 662 666 666 C 5.170000 -4.653000 -8.622000 337 665 667 673 674 667 C 5.620000 -5.837000 -7.754000 328 666 668 670 675 668 O 6.629000 -5.414000 -6.817000 332 667 669 669 C 6.042000 -5.219000 -5.567000 331 668 671 679 680 670 C 4.394000 -6.450000 -7.102000 329 667 671 672 676 671 C 4.675000 -5.728000 -5.849000 330 669 670 677 678 672 O 4.394000 -7.847000 -6.898000 338 670 695 673 H 6.067000 -4.052000 -8.736000 340 666 674 H 4.886000 -5.041000 -9.593000 340 666 675 H 6.065000 -6.618000 -8.355000 336 667 676 H 3.431000 -6.126000 -7.500000 335 670 677 H 3.870000 -5.013000 -5.738000 333 671 678 H 4.765000 -6.496000 -5.156000 333 671 679 H 6.501000 -5.835000 -4.779000 334 669 680 N 6.020000 -3.875000 -4.989000 281 669 681 690 681 C 5.008000 -2.961000 -5.040000 276 680 682 691 682 N 5.140000 -1.948000 -4.237000 282 681 683 683 C 6.398000 -2.203000 -3.687000 279 682 684 690 684 C 7.291000 -1.355000 -3.007000 274 683 685 686 685 O 7.154000 -0.180000 -2.850000 285 684 686 N 8.381000 -1.985000 -2.460000 277 684 687 692 687 C 8.644000 -3.287000 -2.672000 273 686 688 689 688 N 9.622000 -3.816000 -1.993000 278 687 693 694 689 N 7.926000 -4.095000 -3.450000 283 687 690 690 C 6.854000 -3.445000 -4.008000 275 680 683 689 691 H 4.210000 -3.047000 -5.729000 286 681 692 H 9.000000 -1.414000 -1.897000 284 686 693 H 10.195000 -3.220000 -1.405000 287 688 694 H 9.808000 -4.779000 -2.161000 287 688 695 P 3.102000 -8.778000 -7.158000 343 672 696 697 698 696 O 1.913000 -8.239000 -6.457000 344 695 697 O 2.984000 -9.082000 -8.592000 344 695 698 O 3.623000 -10.097000 -6.354000 341 695 699 699 C 5.003000 -10.521000 -6.354000 337 698 700 706 707 700 C 5.545000 -11.003000 -5.001000 328 699 701 703 708 701 O 6.064000 -9.896000 -4.247000 332 700 702 702 C 5.139000 -9.509000 -3.262000 331 701 704 712 713 703 C 4.447000 -11.745000 -4.251000 329 700 704 705 709 704 C 4.099000 -10.599000 -3.365000 330 702 703 710 711 705 O 4.892000 -12.847000 -3.478000 338 703 725 706 H 5.659000 -9.700000 -6.631000 340 699 707 H 5.132000 -11.319000 -7.076000 340 699 708 H 6.365000 -11.701000 -5.154000 336 700 709 H 3.591000 -12.030000 -4.861000 335 703 710 H 3.056000 -10.300000 -3.484000 333 704 711 H 4.299000 -11.006000 -2.438000 333 704 712 H 5.610000 -9.584000 -2.273000 334 702 713 N 4.584000 -8.135000 -3.340000 262 702 714 720 714 C 5.138000 -7.110000 -2.571000 266 713 715 716 715 O 6.061000 -7.332000 -1.783000 270 714 716 N 4.582000 -5.867000 -2.584000 268 714 717 717 C 3.486000 -5.667000 -3.295000 267 716 718 719 718 N 3.143000 -4.452000 -3.583000 264 717 721 722 719 C 2.832000 -6.685000 -4.033000 263 717 720 723 720 C 3.414000 -7.903000 -4.007000 265 713 719 724 721 H 3.762000 -3.710000 -3.233000 272 718 722 H 2.625000 -4.228000 -4.405000 272 718 723 H 2.122000 -6.473000 -4.819000 269 719 724 H 3.043000 -8.682000 -4.623000 271 720 725 P 4.079000 -14.228000 -3.380000 343 705 726 727 728 726 O 2.652000 -13.988000 -3.082000 344 725 727 O 4.424000 -15.095000 -4.519000 344 725 728 O 4.769000 -14.821000 -2.024000 341 725 729 729 C 6.170000 -14.663000 -1.741000 337 728 730 736 737 730 C 6.469000 -14.362000 -0.258000 328 729 731 733 738 731 O 6.385000 -12.973000 0.016000 332 730 732 732 C 5.193000 -12.676000 0.711000 331 731 734 742 744 733 C 5.537000 -15.086000 0.724000 329 730 734 735 739 734 C 4.515000 -14.009000 1.067000 330 732 733 740 741 735 O 6.221000 -15.528000 1.892000 347 733 743 736 H 6.586000 -13.825000 -2.302000 340 729 737 H 6.723000 -15.546000 -2.056000 340 729 738 H 7.495000 -14.666000 -0.055000 336 730 739 H 5.047000 -15.924000 0.222000 335 733 740 H 3.629000 -14.195000 0.463000 333 734 741 H 4.224000 -14.019000 2.112000 333 734 742 H 5.440000 -12.115000 1.612000 334 732 743 H 5.592000 -15.933000 2.488000 339 735 744 N 4.303000 -11.783000 -0.055000 281 732 745 754 745 C 3.235000 -12.151000 -0.816000 276 744 746 755 746 N 2.406000 -11.183000 -1.114000 282 745 747 747 C 3.089000 -10.065000 -0.623000 279 746 748 754 748 C 2.893000 -8.681000 -0.862000 274 747 749 750 749 O 2.093000 -8.180000 -1.618000 285 748 750 N 3.673000 -7.864000 -0.072000 277 748 751 756 751 C 4.594000 -8.342000 0.797000 273 750 752 753 752 N 5.107000 -7.488000 1.637000 278 751 757 758 753 N 4.894000 -9.630000 0.969000 283 751 754 754 C 4.180000 -10.438000 0.125000 275 744 747 753 755 H 3.147000 -13.140000 -1.189000 286 745 756 H 3.543000 -6.867000 -0.176000 284 750 757 H 4.923000 -6.498000 1.515000 287 752 758 H 5.802000 -7.831000 2.265000 287 752