NCI:36000 BBtclserve11129916552D 0 0.00000 0.00000 31330 999-99-9 47 54 0 0 0 0 0 0 0 0 2 V2000 9.1165 1.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6165 0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1165 1.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6165 0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 2.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1165 -0.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1165 1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 2.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1728 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -1.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1165 -0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9049 1.7048 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1728 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9049 0.7048 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0388 2.2048 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7709 2.2048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5685 -0.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1728 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7709 0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 3.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7709 3.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6369 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0685 -1.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5630 -0.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6369 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9049 3.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0878 3.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7219 3.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3097 2.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5685 -2.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2321 -1.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7788 4.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0310 4.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3097 2.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0685 -3.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0091 4.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3618 5.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5685 -4.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0685 -3.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0685 -5.2080 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 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 7 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 17 22 2 0 0 0 0 18 23 2 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 2 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 36 41 1 0 0 0 0 36 42 2 0 0 0 0 38 43 1 0 0 0 0 38 44 2 0 0 0 0 40 45 1 0 0 0 0 40 46 2 0 0 0 0 45 47 1 0 0 0 0 9 12 1 0 0 0 0 15 17 1 0 0 0 0 18 21 1 0 0 0 0 22 27 1 0 0 0 0 25 29 2 0 0 0 0 24 30 2 0 0 0 0 28 31 2 0 0 0 0 32 33 2 0 0 0 0 M CHG 2 17 1 18 1 M END