MMs02594930 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 50 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 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2476 -1.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7476 -1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 1.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7476 -1.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2391 -1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2448 -0.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5482 -2.9388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2478 -3.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0883 -5.1779 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -2.6807 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9174 -3.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1326 -2.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9785 -1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5018 -3.2847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7169 -2.4052 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.7169 -3.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5629 -0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7780 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1472 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6240 1.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0861 -3.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2402 -4.5099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0022 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0022 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6457 -2.3413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3457 -2.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3543 2.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6543 2.3352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6019 1.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2446 -4.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7791 -4.3866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6250 -4.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4088 -1.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0388 0.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6266 0.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6571 -1.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2426 -1.1365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6373 0.4490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8176 1.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5008 2.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4303 1.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3013 -2.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3966 -2.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 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 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 35 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 36 1 0 0 0 0 16 37 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 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 48 49 1 0 0 0 0 M END