NCI:169939 BBtclserve11129918042D 0 0.00000 0.00000125387 78125-94-7 15 14 0 0 0 0 0 0 0 0 2 V2000 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -6.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -6.1500 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.5000 -5.8000 0.0000 Cu 0 2 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -12.3500 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.0000 -10.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -10.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.1500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 -3.8000 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 3.5000 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -12.1500 0.0000 O 0 0 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 3 5 1 0 0 0 0 2 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 1 12 1 0 0 0 0 6 13 1 0 0 0 0 10 14 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M CHG 4 5 1 6 2 8 1 13 1 M END