NCI:668430 BBtclserve11129920112D 0 0.00000 0.00000234645 999-99-9 121136 0 0 0 0 0 0 0 0 1 V2000 4.4252 -7.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4033 -7.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 -8.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8072 -9.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0672 -9.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1651 -8.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0725 -8.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6905 -6.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9995 -5.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3304 -4.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4335 -9.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -9.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8383 -8.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7774 -7.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5445 -8.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3726 -9.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2212 -7.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7790 -6.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7407 -6.6993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2219 -7.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2867 -4.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6175 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9266 -2.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5108 -4.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5163 -3.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9285 -4.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3352 -5.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3297 -5.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9175 -4.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9340 -4.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7261 -5.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5921 -6.3483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2648 -4.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 -3.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 -2.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -5.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -4.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -5.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -5.8335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 -3.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6394 -3.7997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9777 -5.2859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7124 -6.6528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3550 5.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3331 5.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0022 4.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0058 8.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 7.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4071 7.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9948 8.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5881 9.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5936 9.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9948 7.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9459 7.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9459 8.3868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6858 6.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1408 1.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1189 1.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7880 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7916 4.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1983 3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1929 3.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7806 4.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3739 5.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3794 5.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7806 3.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7317 3.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7317 4.3747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4716 2.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4061 2.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7151 3.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6932 3.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6625 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7965 0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7965 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6625 2.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5285 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5285 0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0533 2.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4601 3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4546 3.0121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0752 1.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6421 6.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6203 6.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4279 2.5304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8317 0.4204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0459 4.4326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 -0.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 -0.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8536 0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2173 2.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 1.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6185 1.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2063 2.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7996 3.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8051 3.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2063 0.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1574 1.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1574 2.0567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 -0.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1919 -1.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5009 -0.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4790 -0.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8926 0.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1745 -0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4181 -1.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3798 -1.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0979 -0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8543 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8603 -1.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4774 -2.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4165 -2.4236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8610 -2.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 -1.4817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2574 -1.8975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 2 7 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 14 19 1 0 0 0 0 8 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 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 26 30 1 0 0 0 0 30 31 2 0 0 0 0 27 32 1 0 0 0 0 21 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 37 42 1 0 0 0 0 39 43 1 0 0 0 0 43 44 2 0 0 0 0 40 45 1 0 0 0 0 34 46 1 0 0 0 0 22 47 1 0 0 0 0 9 48 1 0 0 0 0 2 49 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 53 58 1 0 0 0 0 55 59 1 0 0 0 0 59 60 2 0 0 0 0 56 61 1 0 0 0 0 50 62 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 66 71 1 0 0 0 0 68 72 1 0 0 0 0 72 73 2 0 0 0 0 69 74 1 0 0 0 0 63 75 1 0 0 0 0 76 77 1 0 0 0 0 77 78 2 0 0 0 0 79 80 2 0 0 0 0 80 81 1 0 0 0 0 81 82 2 0 0 0 0 82 83 1 0 0 0 0 79 84 1 0 0 0 0 81 85 1 0 0 0 0 85 86 2 0 0 0 0 82 87 1 0 0 0 0 76 88 1 0 0 0 0 51 89 1 0 0 0 0 89 90 1 0 0 0 0 64 91 1 0 0 0 0 63 92 1 0 0 0 0 50 93 1 0 0 0 0 94 95 1 0 0 0 0 95 96 2 0 0 0 0 97 98 2 0 0 0 0 98 99 1 0 0 0 0 99100 2 0 0 0 0 100101 1 0 0 0 0 97102 1 0 0 0 0 99103 1 0 0 0 0 103104 2 0 0 0 0 100105 1 0 0 0 0 94106 1 0 0 0 0 92108 1 0 0 0 0 108109 2 0 0 0 0 110111 2 0 0 0 0 111112 1 0 0 0 0 112113 2 0 0 0 0 113114 1 0 0 0 0 110115 1 0 0 0 0 112116 1 0 0 0 0 116117 2 0 0 0 0 113118 1 0 0 0 0 107119 1 0 0 0 0 95120 1 0 0 0 0 35121 1 0 0 0 0 15 16 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 28 29 2 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 41 42 2 0 0 0 0 44 45 1 0 0 0 0 43 46 1 0 0 0 0 34 47 1 0 0 0 0 21 48 1 0 0 0 0 8 49 1 0 0 0 0 57 58 2 0 0 0 0 60 61 1 0 0 0 0 59 62 1 0 0 0 0 70 71 2 0 0 0 0 73 74 1 0 0 0 0 72 75 1 0 0 0 0 83 84 2 0 0 0 0 86 87 1 0 0 0 0 85 88 1 0 0 0 0 76 91 1 0 0 0 0 77 93 1 0 0 0 0 101102 2 0 0 0 0 104105 1 0 0 0 0 103106 1 0 0 0 0 107108 1 0 0 0 0 114115 2 0 0 0 0 117118 1 0 0 0 0 116119 1 0 0 0 0 107120 1 0 0 0 0 94121 1 0 0 0 0 M END