NCI:668433 BBtclserve11129920112D 0 0.00000 0.00000234648 999-99-9 107120 0 0 0 0 0 0 0 0 1 V2000 4.4252 -5.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4033 -5.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 -6.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8072 -7.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0672 -7.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1651 -6.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0725 -6.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6905 -4.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9995 -3.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3304 -2.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4335 -7.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -7.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8383 -6.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7774 -5.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5445 -6.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3726 -7.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2212 -5.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7790 -4.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7407 -4.6933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2219 -5.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2867 -2.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6175 -1.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9266 -0.6346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5108 -2.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5163 -1.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9285 -2.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3352 -3.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3297 -3.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9175 -2.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9340 -2.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7261 -3.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5921 -4.3422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2648 -2.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 -1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 -0.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 0.6438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -3.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -3.8274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 -1.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6394 -1.7936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9777 -3.2799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7124 -4.6468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1408 3.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1189 3.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7880 2.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7916 6.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1983 5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1929 5.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7806 6.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3739 7.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3794 7.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7806 5.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7317 5.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7317 6.3808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4716 4.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4061 4.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7151 5.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0459 6.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6625 2.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7965 2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7965 3.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6625 4.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5285 3.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5285 2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0533 4.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4601 5.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4546 5.0182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0752 4.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4279 4.5365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8317 2.4265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 1.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 1.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8536 2.2186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2173 4.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 3.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6185 3.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2063 4.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7996 5.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8051 5.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2063 2.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1574 3.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1574 4.0628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 1.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1919 0.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5009 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4790 1.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8926 2.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1745 1.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4181 0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3798 0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0979 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8543 2.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8603 0.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4774 -0.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4165 -0.4175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8610 -0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 0.5244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2574 0.1085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6932 5.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0022 6.8545 0.0000 C 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 51 76 1 0 0 0 0 50 77 1 0 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 81 82 2 0 0 0 0 82 83 1 0 0 0 0 83 84 2 0 0 0 0 84 85 1 0 0 0 0 81 86 1 0 0 0 0 83 87 1 0 0 0 0 87 88 2 0 0 0 0 84 89 1 0 0 0 0 78 90 1 0 0 0 0 77 92 1 0 0 0 0 92 93 2 0 0 0 0 94 95 2 0 0 0 0 95 96 1 0 0 0 0 96 97 2 0 0 0 0 97 98 1 0 0 0 0 94 99 1 0 0 0 0 96100 1 0 0 0 0 100101 2 0 0 0 0 97102 1 0 0 0 0 91103 1 0 0 0 0 79104 1 0 0 0 0 35105 1 0 0 0 0 64106 1 0 0 0 0 106107 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 63 76 1 0 0 0 0 85 86 2 0 0 0 0 88 89 1 0 0 0 0 87 90 1 0 0 0 0 91 92 1 0 0 0 0 98 99 2 0 0 0 0 101102 1 0 0 0 0 100103 1 0 0 0 0 91104 1 0 0 0 0 78105 1 0 0 0 0 M END