NCI:615272 BBtclserve11129919372D 0 0.00000 0.00000208941 999-99-9 123125 0 0 0 0 0 0 0 0 1 V2000 41.2323 -8.8446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 40.5632 -8.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5850 -8.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2760 -9.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.9159 -7.5663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.9377 -7.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6287 -8.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2686 -7.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5776 -6.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.2905 -7.2389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.6213 -6.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6432 -6.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3342 -7.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9740 -5.9606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.9959 -6.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6869 -7.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3268 -5.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6358 -4.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3486 -5.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.6795 -4.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9885 -3.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9666 -3.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7013 -5.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3923 -6.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0322 -4.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.0540 -4.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7450 -5.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4142 -6.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7669 -5.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3849 -3.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6939 -2.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4068 -4.0276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7376 -3.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0466 -2.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3775 -1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6865 -0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3994 -1.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7595 -3.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4505 -4.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0903 -2.7492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1122 -2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8032 -3.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4723 -4.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5012 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5231 -0.8162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8539 -0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1630 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1411 1.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4501 2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4283 2.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7810 2.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8758 -0.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5668 -1.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2067 0.4621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2285 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9195 -0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9414 -0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6323 -1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2722 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5594 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 1.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5812 0.7895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9121 1.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8807 2.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7306 3.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6992 4.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6119 2.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9340 1.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6249 0.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2648 2.0678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2867 1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6175 2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9266 3.5541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6394 2.3951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 4.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 4.8325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2574 4.2973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 5.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 5.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8536 6.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1845 7.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4935 8.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4716 8.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1408 7.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8317 6.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7806 9.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 1.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 2.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 1.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 0.3613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 5.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9192 5.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2063 6.9425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.9303 -5.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9085 -5.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2175 -4.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1956 -4.1779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 38.5047 -3.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4828 -3.0189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.8355 -2.4837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9777 0.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6468 0.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3378 -0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0069 -1.5285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6979 -2.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3670 -3.2227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7198 -2.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4431 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7521 -1.2629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4649 -2.4219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7958 -1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8176 -1.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5086 -2.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1485 -1.1435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1704 -1.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8102 0.3428 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 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 33 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 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 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 46 52 1 0 0 0 0 52 53 2 0 0 0 0 52 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 57 59 1 0 0 0 0 55 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 65 66 2 0 0 0 0 65 67 1 0 0 0 0 63 68 1 0 0 0 0 68 69 2 0 0 0 0 68 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 72 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 2 0 0 0 0 83 84 1 0 0 0 0 84 85 2 0 0 0 0 81 86 2 0 0 0 0 84 87 1 0 0 0 0 75 89 1 0 0 0 0 88 90 2 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 2 0 0 0 0 94 95 1 0 0 0 0 95 96 2 0 0 0 0 92 97 2 0 0 0 0 79 98 1 0 0 0 0 98 99 2 0 0 0 0 98100 1 0 0 0 0 11101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 2 0 0 0 0 105107 1 0 0 0 0 71108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 112113 2 0 0 0 0 112114 1 0 0 0 0 41115 1 0 0 0 0 115116 2 0 0 0 0 115117 1 0 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 119120 2 0 0 0 0 119121 1 0 0 0 0 44122 1 0 0 0 0 44123 2 0 0 0 0 85 86 1 0 0 0 0 88 89 1 0 0 0 0 92 93 1 0 0 0 0 96 97 1 0 0 0 0 121122 1 0 0 0 0 M END