MMs00683573 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 43 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 -1.2312 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1048 2.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 2.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4841 2.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3576 0.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 2.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0729 1.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4897 2.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9242 3.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3959 1.2106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5391 -0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0315 -1.4374 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1034 0.4138 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8956 1.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6719 -0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9484 -1.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1716 -0.0119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9478 -1.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2244 -2.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0007 -3.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5003 -3.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2238 -2.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4475 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1709 0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3947 1.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3793 4.4840 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1011 -1.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3173 0.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0897 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 -0.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9428 3.9661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6632 2.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0147 1.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7503 1.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0246 -2.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4219 -4.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1214 -4.8892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4235 -2.5240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6706 0.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2494 1.1309 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 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 35 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 40 41 1 0 0 0 0 M END