NCI:112547 BBtclserve11129917302D 0 0.00000 0.00000 86035 999-99-9 21 23 0 0 0 0 0 0 0 0 1 V2000 4.5819 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5819 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9364 -0.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 1.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7159 1.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 -0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2752 -1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 2.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3139 1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8498 1.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7159 2.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6135 0.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3067 -1.3228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2594 -1.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 -2.4409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5819 3.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3139 3.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 1.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6455 -2.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 2.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0276 0.0000 S 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 2 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 2 0 0 0 0 8 16 2 0 0 0 0 8 17 1 0 0 0 0 9 18 2 0 0 0 0 13 19 2 0 0 0 0 17 20 2 0 0 0 0 19 21 1 0 0 0 0 11 16 1 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 M END