MMs02545617 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 58 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 1.5000 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2468 -1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4936 -2.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7532 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4734 -4.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 -4.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0057 -6.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 -7.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5774 -6.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 -4.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 -4.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 -4.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 -3.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9217 -3.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2299 -5.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0389 -2.9617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4643 -3.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5815 -2.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5805 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0476 0.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5156 0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5165 -0.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0495 -2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8897 -3.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3152 -4.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4324 -3.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5974 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1026 1.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4468 -1.3075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9532 -1.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8143 -3.9225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1032 -6.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9227 -8.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5465 -7.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2642 -5.1886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8131 -5.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 -5.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 -1.7873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8983 -4.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4081 -4.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8394 -2.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5224 -0.7446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8597 0.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0086 1.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0688 1.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5348 1.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2576 0.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5747 -1.2600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0884 -3.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2374 -2.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6904 -3.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7198 -5.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6234 -5.8308 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 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 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 M CHG 1 55 -1 M END