MMs02504941 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 61 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 1.5000 0.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2492 1.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7492 1.3014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0029 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1000 -1.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7986 0.7537 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3986 1.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0477 2.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 3.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2477 0.3664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5590 -0.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3077 1.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9185 2.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7568 1.0404 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9159 0.7299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1460 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0860 -1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4751 -2.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9243 -3.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9843 -2.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5951 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2659 1.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3259 2.7758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9368 4.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9967 5.2858 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4876 4.6118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4276 3.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7751 2.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8350 3.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1642 0.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7508 -1.2966 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 -1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4983 2.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 3.8986 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0008 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9267 -1.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6272 -3.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2356 -4.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1436 -2.5540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4431 0.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2494 1.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7595 0.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7387 4.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3404 3.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9342 2.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6841 2.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6830 4.2989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9860 4.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0053 0.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4755 -0.2190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3231 1.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1235 -1.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -2.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8168 2.1018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 57 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 29 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 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 58 2 0 0 0 0 M CHG 1 35 -1 M END