NCI:653140 BBtclserve11129920052D 0 0.00000 0.00000227805 999-99-9 96112 0 0 0 0 0 0 0 0 1 V2000 9.3871 -2.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5369 -2.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5539 -2.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9349 -1.6098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9897 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1711 0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7254 1.5695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4390 2.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3258 1.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1602 0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1914 -2.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7207 -2.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1181 -1.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1729 -1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 1.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1214 2.2432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7091 3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7152 3.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 2.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0539 2.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5709 -2.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2634 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9367 0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2591 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9686 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9337 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1892 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4797 -1.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5147 -1.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7131 1.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4226 1.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2695 2.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1620 3.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8667 2.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4097 1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8607 0.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3800 3.4077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8335 2.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0956 3.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3909 4.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4241 4.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2376 3.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6014 4.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9514 5.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9377 5.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5739 4.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2239 3.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6151 4.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9789 4.9651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9808 4.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6141 5.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3856 6.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2291 5.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2203 7.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2836 7.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5121 7.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6773 6.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4437 4.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1594 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9421 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2497 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2786 1.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 -0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6634 -0.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4696 -0.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3851 -0.3714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2487 -0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9951 -0.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5928 0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5978 0.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8888 1.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9597 -1.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1845 1.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1785 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5808 0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9891 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2097 -3.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8366 -4.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4754 -5.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4872 -5.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8603 -4.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 -3.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8248 -4.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4517 -4.9449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4505 -4.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8060 -5.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0269 -6.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1899 -5.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1803 -7.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1128 -7.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8919 -7.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7385 -6.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9977 -4.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2552 -6.2656 0.0000 O 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 3 4 1 0 0 0 0 1 5 2 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 6 10 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 11 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 16 20 1 0 0 0 0 8 21 1 0 0 0 0 3 22 1 0 0 0 0 5 23 1 0 0 0 0 15 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 25 30 2 0 0 0 0 26 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 32 36 1 0 0 0 0 36 37 2 0 0 0 0 33 38 2 0 0 0 0 35 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 34 42 1 0 0 0 0 21 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 43 48 2 0 0 0 0 44 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 50 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 52 58 1 0 0 0 0 51 59 2 0 0 0 0 54 60 2 0 0 0 0 24 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 61 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 68 72 1 0 0 0 0 72 73 2 0 0 0 0 69 74 2 0 0 0 0 71 75 1 0 0 0 0 75 76 2 0 0 0 0 76 77 1 0 0 0 0 70 78 1 0 0 0 0 22 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 2 0 0 0 0 81 82 1 0 0 0 0 82 83 2 0 0 0 0 79 84 2 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 2 0 0 0 0 86 90 1 0 0 0 0 89 91 1 0 0 0 0 91 92 2 0 0 0 0 92 93 1 0 0 0 0 88 94 1 0 0 0 0 87 95 2 0 0 0 0 90 96 2 0 0 0 0 4 5 1 0 0 0 0 9 10 2 0 0 0 0 14 15 2 0 0 0 0 19 20 2 0 0 0 0 18 21 2 0 0 0 0 13 22 2 0 0 0 0 6 23 2 0 0 0 0 16 24 2 0 0 0 0 29 30 1 0 0 0 0 35 36 1 0 0 0 0 41 42 2 0 0 0 0 47 48 1 0 0 0 0 53 54 1 0 0 0 0 57 58 2 0 0 0 0 65 66 1 0 0 0 0 71 72 1 0 0 0 0 77 78 2 0 0 0 0 83 84 1 0 0 0 0 89 90 1 0 0 0 0 93 94 2 0 0 0 0 M END