MMs02962359 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 -0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2581 1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0163 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7418 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1158 2.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5453 2.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5547 0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1311 0.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 -0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1402 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4439 -0.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6101 -1.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5523 0.5911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9336 1.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 3.2613 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4429 1.7914 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0215 0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0182 1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4873 1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4840 2.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9531 1.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2744 3.8829 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 1.2755 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6065 -1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0934 -1.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5772 3.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7379 3.6711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 2.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6558 -1.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5790 -0.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0431 -0.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9965 2.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4607 2.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0448 -0.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5089 0.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0115 3.6515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8089 4.5483 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 39 40 1 0 0 0 0 M END