MMs02048641 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 59 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 1.4999 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2606 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7606 1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4998 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7392 -1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2392 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4786 -2.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7605 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2604 1.2311 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6604 2.2703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0211 2.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5210 2.5116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4127 3.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1129 5.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6901 5.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2358 6.1821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9960 7.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6585 5.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7815 6.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9583 4.2371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8354 3.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8230 1.7426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3927 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9174 -0.1319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9119 -1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4367 -2.6775 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1261 -3.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9669 -2.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4312 -3.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3810 3.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0099 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6692 2.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3691 2.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3306 -2.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4443 -2.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -3.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5128 -3.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6362 1.6631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9786 2.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8969 2.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2392 3.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7416 -0.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6585 -0.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9668 -1.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7271 -1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7912 -3.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2068 -4.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6070 -3.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0008 2.6236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5192 3.3816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7612 4.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3912 -1.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 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 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 23 2 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 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 26 27 1 0 0 0 0 26 47 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 30 1 0 0 0 0 28 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 M END