NCI:45737 BBtclserve11129917022D 0 0.00000 0.00000 39615 22601-59-8 100103 0 0 0 0 0 0 0 0 1 V2000 21.2928 2.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2948 2.3554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7375 1.3969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8462 3.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7414 1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4976 4.0628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8453 3.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7434 1.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1860 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2813 4.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1143 4.1306 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.1900 0.7523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2987 2.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1841 0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2394 5.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1920 0.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6287 -0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7375 1.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0838 6.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3532 6.1464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6386 -0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7473 1.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0419 7.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9700 5.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6405 0.0450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0832 -0.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3007 2.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8862 7.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0872 -0.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8561 3.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0891 -0.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5318 -1.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4095 4.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8581 3.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5357 -1.5581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6445 0.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5298 -1.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9784 -2.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5377 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9745 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3503 -2.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4749 -0.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3014 -2.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9246 -3.3824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1659 0.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2871 -4.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6301 1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9717 -4.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4781 -4.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9011 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9453 -4.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9599 -5.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5484 -5.1088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0248 2.4644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6298 -5.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5562 -5.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0562 2.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6034 -5.1541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5562 -6.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5641 -5.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1815 3.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0562 2.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4223 -6.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6902 -6.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 -6.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6343 -4.7407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9309 3.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0876 2.4644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4223 -7.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 -4.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 4.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2113 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1408 -4.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1879 -3.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8837 5.0848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 3.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6235 2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4824 1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4298 -5.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3436 -3.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7621 -2.4776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7118 1.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9465 0.4538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4034 -6.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7453 -6.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5747 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7746 1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -0.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6924 -7.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0343 -7.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5767 -1.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 2.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6078 0.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6552 -0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0079 -7.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1321 -2.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5954 -3.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1461 -2.6206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8957 -4.0545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 21 25 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 31 35 1 0 0 0 0 31 36 2 0 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 41 43 2 0 0 0 0 41 44 1 0 0 0 0 42 45 1 0 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 47 50 1 0 0 0 0 48 51 1 0 0 0 0 49 52 2 0 0 0 0 49 53 1 0 0 0 0 50 54 1 0 0 0 0 51 55 1 0 0 0 0 53 56 1 0 0 0 0 54 57 1 0 0 0 0 55 58 1 0 0 0 0 56 59 1 0 0 0 0 56 60 1 0 0 0 0 57 61 2 0 0 0 0 57 62 1 0 0 0 0 59 63 1 0 0 0 0 59 64 1 0 0 0 0 60 65 2 0 0 0 0 60 66 1 0 0 0 0 62 67 1 0 0 0 0 62 68 1 0 0 0 0 63 69 1 0 0 0 0 66 70 1 0 0 0 0 67 71 1 0 0 0 0 68 72 1 0 0 0 0 70 73 1 0 0 0 0 70 74 1 0 0 0 0 71 75 1 0 0 0 0 71 76 2 0 0 0 0 72 77 2 0 0 0 0 72 78 1 0 0 0 0 73 79 1 0 0 0 0 74 80 2 0 0 0 0 74 81 1 0 0 0 0 78 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 2 0 0 0 0 79 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 2 0 0 0 0 86 91 1 0 0 0 0 87 92 2 0 0 0 0 87 93 1 0 0 0 0 88 94 2 0 0 0 0 89 95 2 0 0 0 0 91 96 1 0 0 0 0 96 97 2 0 0 0 0 96 98 1 0 0 0 0 97 99 1 0 0 0 0 98100 2 0 0 0 0 10 11 1 0 0 0 0 86 88 1 0 0 0 0 90 95 1 0 0 0 0 99100 1 0 0 0 0 M END