MMs02357145 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 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 -0.7415 -1.3039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0169 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5169 -2.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7584 -1.2746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5168 -2.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 -3.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2753 -3.8824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5337 -5.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0337 -5.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7752 -3.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2752 -3.8434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7921 -6.4511 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 -6.4707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2415 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2414 -1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 -2.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7414 -1.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4829 -2.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4998 -0.0488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9998 -0.0585 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.3998 0.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7413 -1.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2413 -1.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9828 -2.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2244 -3.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7582 1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2582 1.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 -0.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5932 1.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0431 0.5932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -3.0158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -3.7784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6517 -0.2491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -4.8787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8684 -2.8003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5922 -6.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3989 -7.5060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4067 1.0236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1067 1.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0762 -3.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3763 -3.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9066 0.9943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6111 -1.7655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9420 -2.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0406 -0.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3716 -0.9691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0168 -2.5590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4828 -2.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0167 2.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6235 3.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0760 -3.7289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 52 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 52 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 31 32 2 0 0 0 0 31 54 1 0 0 0 0 53 56 1 0 0 0 0 54 55 1 0 0 0 0 M END