NCI:631180 BBtclserve11129919472D 0 0.00000 0.00000216911 999-99-9 81 82 0 0 0 0 0 0 0 0 1 V2000 16.0996 4.5721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3565 5.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4054 4.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6623 5.6013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1975 3.9540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2465 3.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0385 2.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7817 1.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0875 2.3579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5644 6.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5155 6.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7234 7.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6744 7.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9802 8.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5033 4.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7112 5.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5523 4.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 3.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -6.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -5.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 4.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4642 6.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8796 1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6227 0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5738 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3169 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2680 0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0111 -0.0097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9285 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1854 1.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7206 0.0926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7695 -0.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0264 0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2343 1.4308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5616 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3048 -1.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6106 -1.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4027 -2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1458 -3.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0969 -2.8419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 -4.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 -3.7689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 -5.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 -5.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -4.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7085 -2.1216 0.0000 O 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 2 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 6 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 18 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 29 34 2 0 0 0 0 32 35 1 0 0 0 0 19 36 1 0 0 0 0 36 37 2 0 0 0 0 19 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 20 43 1 0 0 0 0 43 44 2 0 0 0 0 21 45 1 0 0 0 0 45 46 1 0 0 0 0 25 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 26 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 9 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 54 60 1 0 0 0 0 60 61 2 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 63 66 1 0 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 73 77 1 0 0 0 0 18 78 1 0 0 0 0 78 79 2 0 0 0 0 69 80 1 0 0 0 0 80 81 2 0 0 0 0 33 34 1 0 0 0 0 27 36 1 0 0 0 0 38 43 1 0 0 0 0 76 77 1 0 0 0 0 74 78 1 0 0 0 0 73 80 1 0 0 0 0 M END