NCI:631451 BBtclserve11129919472D 0 0.00000 0.00000217026 999-99-9 48 50 0 0 0 0 0 0 0 0 2 V2000 7.1961 -6.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -7.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -4.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -3.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8971 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7321 -1.3971 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3971 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1029 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3971 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 9.0622 7.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5622 7.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5622 7.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0622 7.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5622 6.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5622 6.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 5.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5622 4.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5622 2.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 1.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 2.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5622 2.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9501 1.1929 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.9501 2.1929 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 10.8162 2.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6822 2.1929 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8162 3.6929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 0.9689 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 8.5622 -0.7631 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 9 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 11 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 18 23 1 0 0 0 0 12 24 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 33 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 35 41 1 0 0 0 0 23 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 5 6 1 0 0 0 0 13 14 1 0 0 0 0 29 30 2 0 0 0 0 37 38 2 0 0 0 0 41 42 2 0 0 0 0 36 47 1 0 0 0 0 M CHG 8 18 1 19 -1 23 3 24 1 42 1 43 -1 47 1 48 -1 M END