MMs01298196 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.5000 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2548 1.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7548 1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0166 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7452 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 -1.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4904 -2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0096 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 -3.9054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6318 -4.9424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7356 -3.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4808 -5.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 -2.6146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6904 -2.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7547 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2547 1.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2452 -1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -1.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2451 -1.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2547 1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5095 2.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6586 2.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1586 2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8586 2.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8413 -2.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1413 -2.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6999 -0.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2037 -1.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8413 -2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2866 -0.7443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 0.6538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8585 2.2946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2177 1.8614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5466 1.9777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1134 3.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 3.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M CHG 1 5 1 M END