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0.8208 -8.9003 H 1 noname 0.0268 375 H85 8.5996 -1.3906 -9.5882 H 1 noname 0.0279 376 H86 8.5397 -0.8120 -11.3843 H 1 noname 0.0279 377 H87 10.4256 0.5694 -10.9708 H 1 noname 0.0425 378 H88 10.5142 -0.1194 -9.2152 H 1 noname 0.0425 379 H89 10.6571 -2.2637 -10.9106 H 1 noname 0.1184 380 H90 12.0650 -1.2252 -10.9106 H 1 noname 0.1184 381 H91 3.6848 2.5139 -8.1941 H 1 noname 0.1319 382 H92 1.5312 2.5203 -7.8121 H 1 noname 0.0569 383 H93 1.0273 1.9412 -10.1507 H 1 noname 0.0337 384 H94 0.8746 0.1599 -9.5442 H 1 noname 0.0337 385 H95 -0.7284 3.4246 -9.9486 H 1 noname 0.0625 386 H96 -3.0709 3.8687 -9.2428 H 1 noname 0.0622 387 H97 -4.3314 2.1552 -7.9382 H 1 noname 0.0622 388 H98 -3.2276 0.0057 -7.3097 H 1 noname 0.0622 389 H99 -0.8717 -0.4302 -7.9768 H 1 noname 0.0625 390 H100 2.2780 -0.9614 -8.1852 H 1 noname 0.1319 391 H101 1.4486 -1.5109 -5.4571 H 1 noname 0.0570 392 H102 2.8183 -3.1707 -7.6230 H 1 noname 0.0354 393 H103 2.2306 -3.8220 -5.9512 H 1 noname 0.0354 394 H104 1.1171 -3.3351 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0.1314 1.8207 H 1 noname 0.2101 435 H145 8.3118 -2.5326 -0.4205 H 1 noname 0.1319 436 H146 7.4012 -4.4136 0.2126 H 1 noname 0.0570 437 H147 8.3647 -4.0726 3.0378 H 1 noname 0.0354 438 H148 7.4659 -5.5574 2.2949 H 1 noname 0.0354 439 H149 10.8643 -4.6249 3.3409 H 1 noname 0.0808 440 H150 12.5289 -5.9330 1.9136 H 1 noname 0.1531 441 H151 11.3960 -6.9656 -0.1339 H 1 noname 0.1013 442 H152 6.8741 -2.4363 3.2137 H 1 noname 0.1318 443 H153 4.4946 -1.2662 2.0688 H 1 noname 0.0566 444 H154 3.7308 -3.5195 2.9107 H 1 noname 0.0288 445 H155 3.9124 -2.7184 4.6106 H 1 noname 0.0288 446 H156 2.1963 -1.3363 4.2522 H 1 noname 0.0280 447 H157 2.2887 -1.5724 2.3814 H 1 noname 0.0280 448 H158 1.3158 -3.7564 2.6823 H 1 noname 0.0432 449 H159 1.0425 -3.3176 4.4981 H 1 noname 0.0432 450 H160 -0.1564 -1.3538 3.1540 H 1 noname 0.1306 451 H161 -1.3825 -4.5903 3.6316 H 1 noname 0.1898 452 H162 -2.0578 -1.2057 2.2171 H 1 noname 0.1267 453 H163 -3.1131 -2.6009 2.2171 H 1 noname 0.1267 454 H164 4.1861 -1.0092 5.5050 H 1 noname 0.1316 455 H165 6.1835 0.9367 5.8187 H 1 noname 0.0529 456 H166 4.5344 1.6763 5.2729 H 1 noname 0.0529 457 H167 6.0919 -0.2788 7.8593 H 1 noname 0.1318 458 H168 5.2315 1.8325 9.5922 H 1 noname 0.0569 459 H169 3.2397 0.4627 9.8069 H 1 noname 0.0337 460 H170 4.3388 -0.9443 10.4205 H 1 noname 0.0337 461 H171 3.3715 2.6234 11.1156 H 1 noname 0.0626 462 H172 3.2356 3.5158 13.4289 H 1 noname 0.0650 463 H173 4.4697 -0.3228 14.9876 H 1 noname 0.0650 464 H174 4.6036 -1.2269 12.6776 H 1 noname 0.0626 465 H175 3.7406 1.3781 16.2448 H 1 noname 0.2181 466 H176 6.3051 -1.5883 10.1458 H 1 noname 0.1318 467 H177 8.5449 -0.7223 11.6719 H 1 noname 0.0566 468 H178 7.7845 -3.3743 10.4169 H 1 noname 0.0288 469 H179 9.3582 -3.1073 11.4251 H 1 noname 0.0288 470 H180 7.9704 -2.4841 13.2785 H 1 noname 0.0280 471 H181 6.4753 -3.0244 12.2601 H 1 noname 0.0280 472 H182 7.1457 -5.2417 12.3743 H 1 noname 0.0432 473 H183 8.7584 -4.7488 13.2232 H 1 noname 0.0432 474 H184 6.5487 -3.9498 14.7251 H 1 noname 0.1306 475 H185 7.8838 -7.4305 15.5444 H 1 noname 0.1898 476 H186 7.0886 -5.6965 17.0945 H 1 noname 0.1267 477 H187 5.5110 -5.6965 16.3386 H 1 noname 0.1267 478 H188 8.0683 -1.2979 8.2445 H 1 noname 0.1319 479 H189 10.8027 -0.4541 7.5782 H 1 noname 0.0590 480 H190 9.7470 -1.8546 5.9795 H 1 noname 0.0585 481 H191 8.2392 -0.7186 5.9583 H 1 noname 0.0585 482 H192 10.2435 -0.7189 4.3437 H 1 noname 0.2101 483 H193 8.1293 1.2097 6.2277 H 1 noname 0.1319 484 H194 7.1902 3.1487 7.3428 H 1 noname 0.0571 485 H195 9.9881 4.0608 7.6047 H 1 noname 0.0382 486 H196 8.5586 5.2694 7.3593 H 1 noname 0.0382 487 H197 7.0345 5.3393 9.7958 H 1 noname 0.1271 488 H198 6.8264 3.6023 9.7958 H 1 noname 0.1271 489 H199 10.1223 3.6081 5.2218 H 1 noname 0.1319 490 H200 8.4149 3.6020 2.8170 H 1 noname 0.0569 491 H201 8.6578 5.9876 3.6165 H 1 noname 0.0337 492 H202 10.4401 5.7988 3.0230 H 1 noname 0.0337 493 H203 6.8545 5.4400 1.9505 H 1 noname 0.0626 494 H204 6.1315 5.9177 -0.3756 H 1 noname 0.0650 495 H205 10.2181 6.7922 -1.4754 H 1 noname 0.0650 496 H206 10.9449 6.3482 0.8591 H 1 noname 0.0626 497 H207 7.5631 5.7583 -2.8031 H 1 noname 0.2181 498 H208 11.7804 4.6229 2.5451 H 1 noname 0.1318 499 H209 12.3196 2.5873 0.7747 H 1 noname 0.0566 500 H210 14.2761 4.0828 2.5838 H 1 noname 0.0290 501 H211 14.7106 3.1508 1.0004 H 1 noname 0.0290 502 H212 13.0875 5.6731 1.2455 H 1 noname 0.0298 503 H213 15.5013 6.0768 1.7917 H 1 noname 0.0233 504 H214 15.9687 5.3193 0.2502 H 1 noname 0.0233 505 H215 15.0484 6.8429 0.2502 H 1 noname 0.0233 506 H216 13.3117 3.7869 -0.9014 H 1 noname 0.0233 507 H217 12.3951 5.3113 -0.8365 H 1 noname 0.0233 508 H218 14.0834 5.3113 -1.4004 H 1 noname 0.0233 509 H219 13.7174 2.6734 4.0850 H 1 noname 0.1319 510 H220 12.4459 0.0927 4.5481 H 1 noname 0.0569 511 H221 14.5636 -0.6665 3.6794 H 1 noname 0.0337 512 H222 15.3676 0.1807 5.1627 H 1 noname 0.0337 513 H223 12.6710 -2.2896 4.2513 H 1 noname 0.0626 514 H224 12.1889 -4.2741 5.6617 H 1 noname 0.0650 515 H225 15.2879 -3.0696 8.4252 H 1 noname 0.0650 516 H226 15.7751 -1.0782 7.0211 H 1 noname 0.0626 517 H227 13.5067 -4.6281 8.8446 H 1 noname 0.2181 518 H228 14.9776 1.1216 6.7470 H 1 noname 0.1319 519 H229 13.2220 1.6090 8.8072 H 1 noname 0.0571 520 H230 16.0403 2.7296 8.3255 H 1 noname 0.0394 521 H231 15.1446 2.7210 9.9874 H 1 noname 0.0394 522 H232 17.7167 0.4080 9.5378 H 1 noname 0.2213 523 H233 14.7841 4.1075 6.7759 H 1 noname 0.1319 524 H234 12.3380 5.6306 6.8042 H 1 noname 0.0583 525 H235 13.3065 6.4272 8.9160 H 1 noname 0.0383 526 H236 14.8278 6.9679 7.9374 H 1 noname 0.0383 527 H237 11.3931 9.1863 7.7485 H 1 noname 0.1271 528 H238 11.1981 7.4478 7.7485 H 1 noname 0.1271 529 H239 12.8636 5.4260 4.1620 H 1 noname 0.2213 530 H240 2.0087 8.8147 -15.8036 H 1 noname 0.1318 531 H241 0.4322 9.9661 -14.8035 H 1 noname 0.0570 532 H242 -2.3556 10.0071 -16.0099 H 1 noname 0.0354 533 H243 -1.6632 8.5168 -15.0805 H 1 noname 0.0354 534 H244 -3.7420 11.6124 -14.5603 H 1 noname 0.0808 535 H245 -3.7964 12.0603 -12.0474 H 1 noname 0.1531 536 H246 -2.0778 10.6284 -10.8026 H 1 noname 0.1013 537 H247 -0.2139 11.5573 -17.1179 H 1 noname 0.1319 538 H248 0.0258 14.5818 -15.2057 H 1 noname 0.0590 539 H249 -1.1377 13.4173 -17.7721 H 1 noname 0.0585 540 H250 -2.1155 14.1079 -16.3123 H 1 noname 0.0585 541 H251 -1.0819 16.0496 -16.7748 H 1 noname 0.2101 542 H252 1.3418 13.2794 -17.5285 H 1 noname 0.1319 543 H253 4.2879 15.1847 -16.8356 H 1 noname 0.0565 544 H254 2.6575 14.0850 -19.1540 H 1 noname 0.0394 545 H255 2.9691 15.9066 -18.7680 H 1 noname 0.0394 546 H256 4.6059 13.0471 -20.2168 H 1 noname 0.2213 547 H257 3.3942 12.3608 -17.0402 H 1 noname 0.1191 548 H258 5.0364 12.9635 -17.0402 H 1 noname 0.1191 @BOND 1 2 1 1 2 2 3 1 3 3 4 2 4 3 5 1 5 6 5 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 6 12 1 12 12 13 2 13 12 14 1 14 15 14 1 15 15 16 1 16 16 17 1 17 17 18 1 18 18 19 1 19 19 20 1 20 20 21 2 21 20 22 1 22 15 23 1 23 23 24 2 24 23 25 1 25 26 25 1 26 26 27 1 27 27 28 1 28 28 29 2 29 29 30 1 30 30 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