NCI:644771 BBtclserve11129920002D 0 0.00000 0.00000223972 999-99-9 45 49 0 0 0 0 0 0 0 0 2 V2000 4.7026 1.1647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 2.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1807 1.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6807 0.9568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 1.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 2.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 2.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 2.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7576 1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 0.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0656 -0.1647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -0.8228 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2566 -1.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1702 -1.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0362 -1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0362 -2.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9022 -1.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9022 -0.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7682 -1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7682 -2.6592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6343 -1.1592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5003 -1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5003 -2.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3663 -1.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2323 -1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2323 -2.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3663 -3.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0983 -3.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9644 -3.6592 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.5984 -2.2932 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.5983 -4.0253 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3663 -0.1592 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.2323 0.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5003 0.3408 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1701 -3.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9022 -3.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1701 -4.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 7 11 2 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 13 17 2 0 0 0 0 5 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 31 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 32 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 2 0 0 0 0 43 45 1 0 0 0 0 4 5 1 0 0 0 0 10 11 1 0 0 0 0 16 17 1 0 0 0 0 21 22 2 0 0 0 0 34 35 1 0 0 0 0 M CHG 2 40 1 42 -1 M END