NCI:17452 BBtclserve11129916472D 0 0.00000 0.00000 16566 19442-32-1 42 49 0 0 0 0 0 0 0 0 2 V2000 8.4049 2.0413 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4049 1.0413 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 1.5413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 1.5413 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.2709 1.5413 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4049 0.0413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 2.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5389 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4410 2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2709 2.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1369 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5389 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2709 -0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 2.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4049 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 2.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4410 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6165 0.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2220 2.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1369 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8097 2.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0685 -1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0630 -1.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2788 3.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9089 -1.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6165 0.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 3.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4408 -2.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9082 -1.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3762 -2.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3755 -2.9176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8448 -3.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8434 -3.8013 0.0000 C 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 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 2 0 0 0 0 8 17 2 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 2 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 2 0 0 0 0 12 24 1 0 0 0 0 13 25 2 0 0 0 0 14 26 2 0 0 0 0 15 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 29 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 2 0 0 0 0 36 39 1 0 0 0 0 36 40 2 0 0 0 0 37 41 1 0 0 0 0 39 42 1 0 0 0 0 9 16 1 0 0 0 0 11 17 1 0 0 0 0 15 18 2 0 0 0 0 13 20 1 0 0 0 0 19 21 2 0 0 0 0 14 23 1 0 0 0 0 22 24 2 0 0 0 0 25 26 1 0 0 0 0 M CHG 2 4 1 5 1 M END