MMs00218837 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 0.1610 -1.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -2.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -3.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4829 -4.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 -5.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0159 -6.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 -5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -4.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2771 -3.3101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2728 -1.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0569 -0.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6981 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 -2.5536 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1832 -3.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7049 -3.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1725 -5.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0832 -2.5494 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8295 -1.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0759 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8223 1.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3222 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 0.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3295 -1.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0832 -2.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5832 -2.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 0.1288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1288 1.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1931 -0.1288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 -1.4110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1261 -2.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6147 -3.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3249 -6.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 -7.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3246 -6.1715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 -0.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7357 -0.7397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8759 0.0453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2193 2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9193 2.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2759 0.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3368 -3.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9398 -4.8797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 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 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 42 43 1 0 0 0 0 M END