NCI:65571 BBtclserve11129917102D 0 0.00000 0.00000 53306 6950-40-9 56 61 0 0 0 0 0 0 0 0 2 V2000 11.5263 3.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7943 4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2584 4.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 5.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7943 6.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 6.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7943 3.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2584 3.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2584 6.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7584 5.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7584 7.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 5.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 7.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7225 1.3170 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 1.8169 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 1.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 2 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 21 25 2 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 2 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 33 2 0 0 0 0 31 34 1 0 0 0 0 32 35 2 0 0 0 0 33 36 1 0 0 0 0 34 37 2 0 0 0 0 36 38 2 0 0 0 0 36 39 1 0 0 0 0 37 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 2 0 0 0 0 44 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 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 50 52 1 0 0 0 0 50 53 1 0 0 0 0 51 54 2 0 0 0 0 53 55 2 0 0 0 0 55 56 1 0 0 0 0 8 10 1 0 0 0 0 12 15 1 0 0 0 0 30 33 1 0 0 0 0 35 37 1 0 0 0 0 45 46 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 2 36 1 39 -1 M END