MMs02373773 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 54 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 1.2944 -0.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 -0.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2052 1.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5088 2.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9108 2.2262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9181 3.4262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6072 1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 2.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4905 -0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0885 -0.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6866 -0.8213 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9993 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3029 2.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5973 1.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5882 -0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2846 -0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -2.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5797 -3.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 -2.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 -2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -5.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5706 -4.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6063 1.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0356 0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 -1.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5175 -1.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0602 -1.6818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7136 -1.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2562 -1.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3116 -1.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8543 -1.7294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6264 0.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1690 0.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9637 2.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3102 3.3628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6402 1.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6237 -0.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2773 -2.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0663 -2.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -3.4038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -1.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0538 -2.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0703 -5.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2597 -6.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6061 -5.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 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 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 M END