NCI:649571 BBtclserve11129920042D 0 0.00000 0.00000226379 999-99-9 40 42 0 0 0 0 0 0 0 0 2 V2000 3.7320 1.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 0.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6602 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6602 0.3660 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.5263 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1340 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.6340 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 -2.1340 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 9.4282 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 -4.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4282 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 5 12 1 0 0 0 0 10 13 2 0 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 16 31 1 0 0 0 0 31 32 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 33 39 2 0 0 0 0 31 40 1 0 0 0 0 5 6 1 0 0 0 0 10 12 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 38 39 1 0 0 0 0 33 40 1 0 0 0 0 M CHG 4 28 1 30 -1 33 1 34 -1 M END