NCI:664020 BBtclserve11129920092D 0 0.00000 0.00000232351 999-99-9 46 51 0 0 0 0 0 0 0 0 2 V2000 10.1384 -0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8293 -1.3556 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6384 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4474 -1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1384 -0.4045 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7723 -3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7723 -4.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6384 -4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5044 -4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5044 -3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6384 -2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6383 -5.9434 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.3984 -1.6646 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1416 -0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 -1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7868 -0.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8358 -0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0926 -1.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3005 -2.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2516 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9458 -2.2315 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.6890 -1.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1537 -3.2097 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.5506 0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8596 1.3556 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0506 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2416 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5506 0.4045 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9166 3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9166 4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0506 4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1846 4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1846 3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0506 2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0506 5.9434 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2905 1.6646 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4373 2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 2.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5963 1.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 2.2315 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 1.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 3.2097 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 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 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 3 11 1 0 0 0 0 8 12 1 0 0 0 0 4 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 1 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 24 28 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 31 35 1 0 0 0 0 27 36 1 0 0 0 0 36 37 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 37 41 1 0 0 0 0 41 42 1 0 0 0 0 38 43 1 0 0 0 0 38 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 4 5 1 0 0 0 0 10 11 2 0 0 0 0 6 11 1 0 0 0 0 17 18 2 0 0 0 0 19 20 2 0 0 0 0 27 28 1 0 0 0 0 33 34 2 0 0 0 0 29 34 1 0 0 0 0 40 41 2 0 0 0 0 42 43 2 0 0 0 0 M CHG 4 21 1 23 -1 44 1 46 -1 M END