MMs02594915 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 49 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 0.7453 -1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0093 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -3.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -3.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9907 -2.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 -1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9814 -5.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4813 -5.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -6.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -7.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7869 -5.9705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 -4.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0090 -3.5932 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3674 -4.0019 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9973 -6.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3698 -6.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -4.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5801 -7.1374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9526 -6.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1630 -7.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5355 -6.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7458 -7.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1183 -7.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3287 -7.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1665 -9.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5963 1.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0414 -0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2093 -2.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1323 -4.9369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1907 -2.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 -0.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3776 -6.2439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1311 -7.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6647 -7.8538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4504 -8.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2852 -5.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8188 -5.7017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2968 -8.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8304 -8.4154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8680 -5.8158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4017 -5.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8796 -8.5295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4133 -8.6963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4509 -6.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9845 -6.2634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7012 -7.3747 0.0000 O 0 5 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 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 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 M CHG 1 48 -1 M END