NCI:168851 BBtclserve11129918032D 0 0.00000 0.00000124558 58423-45-3 47 50 0 0 0 0 0 0 0 0 1 V2000 12.5012 -7.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3672 -6.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6352 -6.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6352 -5.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7691 -7.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7691 -5.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7691 -8.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9031 -6.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9031 -5.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7691 -4.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6351 -8.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0371 -7.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9601 -3.7516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5782 -3.7516 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1710 -6.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2691 -2.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2691 -2.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6814 -1.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6868 -2.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0881 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5003 -0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5058 -0.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9180 0.4356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3248 1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7370 2.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1437 3.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7424 2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1382 3.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5559 3.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1547 2.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5614 3.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9736 4.5852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9791 4.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3804 5.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 5.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7926 6.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 5.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1993 7.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 5.9942 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6115 8.0303 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 6.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 6.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0238 8.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 7.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4206 8.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 30 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 2 0 0 0 0 40 44 2 0 0 0 0 41 45 1 0 0 0 0 41 46 2 0 0 0 0 41 47 2 0 0 0 0 8 9 1 0 0 0 0 16 17 2 0 0 0 0 22 23 1 0 0 0 0 31 32 1 0 0 0 0 M END