MMs03399849 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 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 1.2979 0.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 0.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4941 0.7595 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4549 1.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7964 -1.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0922 0.7633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0904 1.9633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0152 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3923 1.2152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5513 -1.4763 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8619 -2.6354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0189 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7670 -0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3670 -1.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7617 0.6273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9208 0.9379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0714 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4973 2.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8071 4.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2330 4.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5427 5.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9686 6.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2783 7.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1621 8.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2586 -0.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9654 -1.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4380 -2.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6892 -3.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4919 2.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6015 1.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0384 -0.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6015 -1.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5252 1.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0679 1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8281 -0.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 -0.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 1.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.6761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4261 -0.9128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9688 -0.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6498 -2.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1159 -2.2725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8721 2.1351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9027 3.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3903 1.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9141 4.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4017 3.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4323 4.4538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3434 6.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3739 7.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1373 5.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1679 6.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5302 2.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7042 8.3605 0.0000 O 0 5 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 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 33 57 1 0 0 0 0 M CHG 1 58 -1 M END