NCI:161118 BBtclserve11129917572D 0 0.00000 0.00000118949 999-99-9 166180 0 0 0 0 0 0 0 0 1 V2000 6.4053 9.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 8.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2839 7.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 6.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3666 6.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8666 7.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8611 7.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 6.1014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 6.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 5.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 4.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 4.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 5.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 4.8143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4158 4.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4489 6.7242 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.2579 7.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6398 6.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0366 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15.7781 6.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2781 5.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3608 6.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4472 7.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8713 4.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2268 7.3515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2268 8.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0928 8.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0928 9.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9588 8.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9588 7.3515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0928 6.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0928 5.8515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8249 8.8515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4591 3.9265 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.6501 3.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2681 4.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0469 3.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6402 2.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2280 1.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2280 1.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5370 0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7279 -0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9189 0.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8157 2.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7279 -1.1439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5940 -1.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5940 -2.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4600 -3.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7279 -3.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8619 -2.6439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8619 -1.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9959 -1.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7279 -4.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2067 6.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2562 5.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2492 -1.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8370 -2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8370 -2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3369 -3.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5279 -3.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4247 -1.6118 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0 25.7018 3.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5678 3.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4339 3.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5679 4.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7018 5.0358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.8358 4.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9698 5.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4339 5.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1460 -3.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8103 2.0994 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.9148 3.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7057 1.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8048 1.9949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6559 -0.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4193 -1.7163 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 26.5238 -0.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3147 -2.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4138 -1.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8582 -5.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4460 -6.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4460 -6.2366 0.0000 C 0 0 0 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