NCI:653263 BBtclserve11129920052D 0 0.00000 0.00000227838 999-99-9 39 43 0 0 0 0 0 0 0 0 2 V2000 2.0000 0.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 0.7231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -0.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 1.6742 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 2.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3011 2.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 3.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 4.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9192 4.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5883 3.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0411 1.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9432 1.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 -1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 -2.0539 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0 7.6176 -2.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6394 -2.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3304 -3.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9995 -4.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9777 -4.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2867 -3.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5283 -1.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4603 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5623 0.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7323 -0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8003 -1.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6983 -1.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3437 -2.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3289 -2.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6726 -3.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 -4.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 -4.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7023 -3.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8657 -1.0594 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 4 9 1 0 0 0 0 7 10 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 11 16 1 0 0 0 0 10 17 2 0 0 0 0 10 18 2 0 0 0 0 9 19 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 21 26 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 20 31 1 0 0 0 0 27 32 1 0 0 0 0 20 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 33 38 1 0 0 0 0 5 6 1 0 0 0 0 8 9 2 0 0 0 0 11 12 2 0 0 0 0 15 16 2 0 0 0 0 21 22 2 0 0 0 0 25 26 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 33 34 2 0 0 0 0 37 38 2 0 0 0 0 M CHG 2 20 1 39 -1 M END