MMs01405252 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3033 0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9013 0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9098 2.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 2.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3118 2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 3.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0295 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 1.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4387 -1.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 -0.7868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9594 1.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4283 1.7502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1709 0.4470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1609 -0.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4645 -2.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6618 0.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2641 -1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7550 -1.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6436 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0412 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5504 1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0462 3.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8503 2.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5941 1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 -0.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5941 -1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5912 -1.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 2.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6218 4.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 -1.9868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5533 -2.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2369 -2.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8362 -0.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7521 2.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0685 2.5892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1396 2.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5405 4.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9527 3.6114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6583 3.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 3.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4463 2.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END