NCI:114336 BBtclserve11129917312D 0 0.00000 0.00000 87019 52185-94-1 19 20 0 0 0 0 0 0 0 0 1 V2000 3.7321 2.0390 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 0.8480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5492 -0.7700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.9610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1369 0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8582 -1.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8363 -1.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1453 -2.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1235 -3.0879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4762 -3.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4325 -4.0390 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 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END