NCI:615382 BBtclserve11129919372D 0 0.00000 0.00000208994 999-99-9 42 46 0 0 0 0 0 0 0 0 3 V2000 8.4434 -1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4411 -1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9989 -0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5589 0.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5612 0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0035 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0058 -0.6268 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 8.2518 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2618 -0.4469 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7939 -1.3307 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.8088 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6678 -0.1687 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 6.5659 0.2712 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 4.2433 -2.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4869 -3.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -4.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5634 -3.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2815 -2.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8857 -2.4229 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 10.9966 -0.8988 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 0.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -1.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1923 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7569 0.8590 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0659 1.8101 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 7.0659 1.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3749 0.8590 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 5.9781 -0.5378 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 4.9535 -2.0723 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1197 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.6536 2.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 3.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8347 4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 4.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2360 3.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6482 2.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4481 -1.4568 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 5 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 14 19 2 0 0 0 0 1 20 1 0 0 0 0 3 21 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 13 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 13 32 1 0 0 0 0 25 34 1 0 0 0 0 27 35 1 0 0 0 0 31 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 36 41 2 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 18 19 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 31 32 2 0 0 0 0 24 33 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 8 7 1 9 1 10 -1 12 1 13 3 29 1 30 -1 32 1 M CHG 2 33 1 42 -1 M END