NCI:169937 BBtclserve11129918042D 0 0.00000 0.00000125385 47512-30-1 27 30 0 0 0 0 0 0 0 0 3 V2000 7.0830 1.5826 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0930 1.7235 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2840 1.1357 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 0.5479 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4749 0.5479 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4749 1.7235 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7622 -1.8817 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3090 -1.5826 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3717 3.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0440 0.8569 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7840 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 0.8569 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7840 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4849 1.5826 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2942 -2.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7473 -2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -2.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1962 3.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2239 -1.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0659 -1.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9902 -3.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8882 -3.0436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -3.1215 0.0000 N 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 2 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 2 0 0 0 0 6 14 1 0 0 0 0 6 15 2 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 2 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 11 21 1 0 0 0 0 13 22 1 0 0 0 0 15 23 1 0 0 0 0 17 24 2 0 0 0 0 18 25 1 0 0 0 0 19 26 2 0 0 0 0 20 27 1 0 0 0 0 7 11 2 0 0 0 0 13 15 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 8 1 -1 2 1 5 1 6 1 7 1 8 1 9 1 12 -1 M CHG 2 14 -1 16 -1 M END