MMs03542598 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 55 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 -0.0049 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3015 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8898 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1913 1.5168 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1913 2.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4879 2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4830 3.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7893 1.5252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0859 2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0811 3.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3874 1.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9855 1.5421 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9855 2.7421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2821 2.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2772 3.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.0421 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9903 -1.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2918 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 0.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8898 -0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8947 -2.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5981 -2.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2966 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1962 -2.9411 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.2010 -4.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4928 -2.1868 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.6937 -0.7121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 -0.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 2.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 3.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 -0.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 -1.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1155 3.1794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 3.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7932 0.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6190 0.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1617 0.6169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6961 1.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4631 2.5085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3145 4.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5845 1.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9271 -0.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6020 -4.1495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2594 -2.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6976 -1.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 -0.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6840 2.2879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6801 3.4879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2373 -0.5798 0.0000 H 0 0 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 53 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 51 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 49 1 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END