NCI:176512 BBtclserve11129918102D 0 0.00000 0.00000129913 999-99-9 79 88 0 0 0 0 0 0 0 0 2 V2000 6.3068 2.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3068 1.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 3.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4408 1.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 1.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 4.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 2.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4408 0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 4.8147 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5000 5.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 4.8147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9410 2.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 4.3147 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 5.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 5.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0878 6.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9410 5.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4089 1.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1165 3.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 4.8147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 3.3147 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9049 6.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.1807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 4.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 7.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 3.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4082 1.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1165 3.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6369 4.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 5.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 2.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 2.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 6.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8762 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3097 5.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6369 3.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7219 6.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5630 1.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5685 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 5.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 7.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8755 0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3448 -0.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 5.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0310 7.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9408 0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0685 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 5.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 7.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3434 -0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8097 6.1807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3618 7.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3279 0.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3428 -0.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8097 6.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8107 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3097 5.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3097 7.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8100 -1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2793 -2.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3097 5.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3097 7.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2779 -2.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8097 6.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2773 -2.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7452 -3.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7445 -3.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2138 -4.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2125 -4.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2118 -4.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6797 -5.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6791 -5.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1483 -5.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1470 -6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1463 -6.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6143 -6.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6136 -7.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0829 -7.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 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