NCI:657723 BBtclserve11129920072D 0 0.00000 0.00000229614 999-99-9 38 41 0 0 0 0 0 0 0 0 2 V2000 6.8907 0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8418 -0.0131 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7929 0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3806 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8418 -1.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7929 -1.3221 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8907 -1.3221 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3030 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1019 1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4327 1.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 2.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7199 3.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3890 2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0800 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0289 4.1001 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.0071 4.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3598 4.8433 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5817 1.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 1.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 2.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 -2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 -3.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 -3.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -3.9772 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3030 -3.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 -4.8433 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6691 2.0786 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3601 3.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3354 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8418 0.9869 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 2 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 9 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 1 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 19 24 2 0 0 0 0 8 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 26 31 2 0 0 0 0 29 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 22 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 13 14 1 0 0 0 0 23 24 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 8 2 1 15 1 17 -1 32 1 34 -1 35 1 37 -1 38 -1 M END