NCI:8659 BBtclserve11129916432D 0 0.00000 0.00000 8497 5833-18-1 30 31 0 0 0 0 0 0 0 0 2 V2000 4.7442 0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8051 1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5723 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6833 1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 2.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0379 0.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7063 -0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4383 -0.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0221 2.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3288 0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6941 2.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7672 -0.3935 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7063 -1.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4383 -1.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3766 2.7963 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0063 2.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3130 0.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5222 3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4285 0.5474 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5723 -2.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7154 3.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3924 2.6192 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.6517 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5723 -3.2372 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6359 1.6228 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4383 -3.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7063 -3.7372 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.2814 0.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9747 2.5637 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 2 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 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 21 2 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 24 2 0 0 0 0 21 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 14 21 1 0 0 0 0 17 24 1 0 0 0 0 M CHG 8 12 1 15 1 20 -1 23 -1 25 1 26 1 28 -1 30 -1 M END