NCI:311330 BBtclserve11129918592D 0 0.00000 0.00000171090 999-99-9 45 54 0 0 0 0 0 0 0 0 2 V2000 5.1646 -1.3390 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -1.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 -0.5300 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 5.4434 0.4211 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 2.5878 -1.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -2.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0614 0.4211 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 1.0089 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -3.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 0.7301 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8704 1.0089 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 6.4736 1.2301 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.0614 -0.5789 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 6.5614 1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -3.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 1.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6002 -0.0789 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 7.5614 1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0614 2.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 2.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6002 2.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8704 2.9110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0614 3.0391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3215 -1.8390 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0614 3.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3388 3.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 3.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5948 2.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2996 -2.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9569 4.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2343 4.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4192 4.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0015 3.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6087 -2.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0433 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4137 4.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5868 -3.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9395 -3.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8958 -4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2485 -4.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2267 -4.9000 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 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 17 2 0 0 0 0 11 18 2 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 21 2 0 0 0 0 15 22 2 0 0 0 0 16 23 2 0 0 0 0 17 24 1 0 0 0 0 19 25 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 30 35 2 0 0 0 0 31 36 1 0 0 0 0 32 37 2 0 0 0 0 33 38 1 0 0 0 0 34 39 2 0 0 0 0 36 40 2 0 0 0 0 38 41 2 0 0 0 0 38 42 1 0 0 0 0 41 43 1 0 0 0 0 42 44 2 0 0 0 0 43 45 2 0 0 0 0 9 10 1 0 0 0 0 12 18 1 0 0 0 0 17 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 26 29 1 0 0 0 0 27 31 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 8 5 1 6 -1 10 1 13 1 14 1 15 1 16 1 20 -1 M END