NCI:678118 BBtclserve11129920182D 0 0.00000 0.00000239527 999-99-9 45 49 0 0 0 0 0 0 0 0 1 V2000 2.0000 -0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -0.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 0.6675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 -1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 1.6185 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0411 1.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9432 1.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3011 2.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 2.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5883 3.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9192 4.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 4.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 3.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2709 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7709 -1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2709 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7709 -2.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7709 -2.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2709 -1.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7709 -1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2709 -1.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 -2.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2709 -3.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7709 -4.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7709 0.7245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7709 0.7245 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7709 1.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7709 -0.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2709 1.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2709 1.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7709 0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2709 -0.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2709 -0.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7709 0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7709 0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0372 -2.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1781 -3.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 -2.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8928 -3.3036 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 1 4 2 0 0 0 0 5 6 2 0 0 0 0 4 7 1 0 0 0 0 3 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 14 19 2 0 0 0 0 5 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 21 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 20 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 2 0 0 0 0 35 36 2 0 0 0 0 32 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 35 40 1 0 0 0 0 40 41 1 0 0 0 0 10 42 1 0 0 0 0 42 43 1 0 0 0 0 10 44 1 0 0 0 0 44 45 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 18 19 1 0 0 0 0 25 26 1 0 0 0 0 36 37 1 0 0 0 0 39 40 2 0 0 0 0 M END