NCI:525520 BBtclserve11129919312D 0 0.00000 0.00000203243 2122-97-6 49 54 0 0 0 0 0 0 0 0 2 V2000 9.7942 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6602 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6602 0.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6602 -2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3434 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -2.3509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3433 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9311 0.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6524 1.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6305 2.1171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9832 2.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9395 3.0682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8509 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9177 3.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.3509 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7321 -3.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5868 2.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2267 4.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8509 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 16.2778 1.5819 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.5649 2.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2048 4.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8509 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.9469 0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2996 1.3740 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.8740 3.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8521 3.8998 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 19.1611 4.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5212 3.1567 0.0000 O 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 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 9 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 27 31 2 0 0 0 0 28 32 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 35 2 0 0 0 0 32 36 2 0 0 0 0 32 37 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 36 40 1 0 0 0 0 37 41 2 0 0 0 0 38 42 2 0 0 0 0 38 43 1 0 0 0 0 39 44 2 0 0 0 0 39 45 1 0 0 0 0 40 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 8 12 1 0 0 0 0 10 14 1 0 0 0 0 13 15 1 0 0 0 0 19 20 1 0 0 0 0 31 35 1 0 0 0 0 41 46 1 0 0 0 0 M CHG 8 29 1 34 -1 38 1 39 1 43 -1 45 -1 47 1 49 -1 M END