NCI:163074 BBtclserve11129917592D 0 0.00000 0.00000119961 52077-96-0 27 29 0 0 0 0 0 0 0 0 2 V2000 4.5981 -0.2680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 -1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7321 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7321 2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -3.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2679 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9641 -3.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7320 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -4.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2320 0.0000 O 0 5 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 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 19 2 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 15 22 2 0 0 0 0 17 23 1 0 0 0 0 18 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 14 17 1 0 0 0 0 16 22 1 0 0 0 0 19 24 1 0 0 0 0 M CHG 4 13 1 21 -1 23 1 27 -1 M END