NCI:620104 BBtclserve11129919382D 0 0.00000 0.00000211226 999-99-9 99103 0 0 0 0 0 0 0 0 2 V2000 2.8660 -2.9205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.4206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.9205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.4205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 4.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0795 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 3.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.5795 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 6.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 7.0795 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 7.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.5795 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7943 3.0794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.4206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6032 -3.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -4.4594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 -4.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9852 -3.5083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5994 -1.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7713 -2.7493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3665 -1.1228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2985 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8678 -0.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2264 0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3364 -1.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7094 -2.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0923 -3.0812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6994 -2.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4653 -4.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4553 -4.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8483 -4.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2213 -5.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2113 -5.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5843 -6.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9672 -7.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9772 -7.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6042 -6.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8283 -5.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0724 -3.3630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0624 -3.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4354 -4.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4254 -4.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6794 -2.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3065 -1.7891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6695 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9235 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5505 -0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1213 -3.8545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0194 -4.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8785 -5.2845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8933 -5.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9135 -1.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5306 -0.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5206 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1576 0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1676 0.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5605 0.0666 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 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 6 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 2 20 1 0 0 0 0 20 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 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 28 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 31 37 1 0 0 0 0 30 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 27 41 2 0 0 0 0 27 42 1 0 0 0 0 17 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 42 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 46 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 56 60 1 0 0 0 0 54 61 1 0 0 0 0 61 62 2 0 0 0 0 61 63 1 0 0 0 0 63 64 1 0 0 0 0 64 66 1 0 0 0 0 63 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 2 0 0 0 0 69 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 73 74 1 0 0 0 0 74 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