MMs02483775 MOE2007 2D CORINA 3.40 0006 02.08.2006 83 83 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 1.2951 0.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 2.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 0.7704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8931 -0.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2039 -1.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4912 0.7840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0408 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7941 1.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8020 -1.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1049 -2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1128 -3.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4000 -1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0892 0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0814 2.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6873 0.8112 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6480 1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6794 2.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9745 3.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2774 2.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9666 4.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 0.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2853 0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9981 -1.4319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3010 -2.1751 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2618 -2.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5961 -1.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8991 -2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1941 -1.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4971 -2.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5050 -3.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2099 -4.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9069 -3.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3089 -3.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0138 -4.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6118 -4.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6197 -5.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6054 1.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0361 -0.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6054 -1.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2559 1.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4872 2.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2809 3.4568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 2.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 -0.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3742 -0.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4849 1.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6191 -1.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3975 -2.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0657 -2.8023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -3.7086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1191 -4.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3128 -3.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0055 -2.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4361 -0.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7946 -0.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3953 -0.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4987 2.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2631 3.4367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0137 3.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6829 1.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3198 1.7303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8720 3.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1666 4.5743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9603 5.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7666 4.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9620 -2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8200 -0.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3626 -0.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1879 -0.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5332 -1.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5473 -4.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2161 -5.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3889 -3.9642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4197 -5.9245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6260 -7.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8197 -5.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9213 2.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8853 2.2704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8429 2.8649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 44 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 48 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 82 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 53 1 0 0 0 0 14 54 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 15 59 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 60 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 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