NCI:631570 BBtclserve11129919472D 0 0.00000 0.00000217135 999-99-9 90106 0 0 0 0 0 0 0 0 2 V2000 4.8060 -6.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8005 -6.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2073 -5.3265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6574 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9345 2.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3412 1.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -2.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1222 6.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1277 6.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7209 5.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4641 4.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3301 5.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4641 3.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3301 3.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1961 3.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1961 4.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3301 2.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1961 1.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0622 2.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0622 3.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9282 1.8068 0.0000 O 0 0 0 0 0 0 0 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7.9641 -0.7913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 0.0747 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 0.5747 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 -0.4253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 -1.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0622 -2.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9641 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4641 1.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9282 0.0000 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 1 0 0 0 0 1 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 5 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 13 1 0 0 0 0 12 14 1 0 0 0 0 11 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 10 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 15 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 19 25 1 0 0 0 0 18 26 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 27 31 1 0 0 0 0 30 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 31 35 2 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 34 39 1 0 0 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0 0 0 0 69 70 1 0 0 0 0 73 74 2 0 0 0 0 76 77 1 0 0 0 0 82 83 1 0 0 0 0 85 86 1 0 0 0 0 88 89 1 0 0 0 0 M CHG 3 18 1 44 1 70 1 M END