NCI:623553 BBtclserve11129919402D 0 0.00000 0.00000212901 999-99-9 76 78 0 0 0 0 0 0 0 0 1 V2000 11.2211 -0.9511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9121 -1.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5812 -2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9340 -2.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6249 -3.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2648 -1.3669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2867 -1.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6175 -0.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9266 0.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9777 -2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6468 -3.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3378 -4.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0069 -4.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3596 -4.4280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6394 -1.0396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 -0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 -0.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 1.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5594 -2.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2285 -3.1805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 -1.4863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -3.0734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -2.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2574 0.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 2.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 2.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 1.2784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5009 2.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1919 1.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4790 2.6453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1482 1.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1263 2.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4353 3.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7954 1.3669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7736 1.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0826 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0607 2.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8039 2.0646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6699 2.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4620 3.5428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4675 3.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4427 0.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1337 -0.1194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4209 1.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8028 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4938 -1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7810 -0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5157 -2.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4501 -1.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4283 -1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1411 -2.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1630 -2.5567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8539 -3.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5231 -4.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8758 -3.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5668 -4.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5886 -4.8747 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2796 -5.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2141 -5.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5012 -4.0430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8536 2.9726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8317 3.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1408 4.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0918 3.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1897 4.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4498 5.0826 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7806 5.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 8 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 2 0 0 0 0 3 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 18 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 27 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 18 31 2 0 0 0 0 19 32 1 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 35 36 2 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 46 50 2 0 0 0 0 44 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 55 57 2 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 55 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 63 68 2 0 0 0 0 63 69 1 0 0 0 0 35 70 1 0 0 0 0 37 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 72 75 1 0 0 0 0 75 76 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 49 50 1 0 0 0 0 70 71 1 0 0 0 0 M END