NCI:329108 BBtclserve11129919062D 0 0.00000 0.00000175431 57831-89-7 20 21 0 0 0 0 0 0 0 0 2 V2000 3.7321 0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 2.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9231 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 2.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 3.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 3.4081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8199 4.2172 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 5.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 4.1126 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 10 11 2 0 0 0 0 13 15 1 0 0 0 0 M CHG 2 14 1 17 -1 M END