NCI:13438 BBtclserve11129916452D 0 0.00000 0.00000 13048 5430-87-5 28 29 0 0 0 0 0 0 0 0 2 V2000 7.6133 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6133 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7473 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3454 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8338 0.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6428 -0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6258 1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -0.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3859 -1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6646 -0.9524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 1.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.9434 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 0.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9435 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.9434 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8095 -1.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8095 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6755 -0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 10 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 20 2 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 19 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 10 12 1 0 0 0 0 18 23 1 0 0 0 0 M CHG 4 16 1 22 -1 25 1 28 -1 M END