MMs01880238 MOE2007 2D CORINA 3.40 0006 02.08.2006 60 60 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 1.2978 -0.7522 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2953 -2.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5931 -3.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5906 -4.5043 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5513 -3.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8884 -5.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8859 -6.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1886 -4.5087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4864 -5.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7867 -4.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7867 -5.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7892 -3.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0895 -2.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3873 -3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4265 -3.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3848 -4.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0845 -5.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6876 -2.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9854 -3.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6901 -0.7695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 -0.0217 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9511 0.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2881 -0.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 -0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8862 -0.7782 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.1865 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9929 1.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6951 2.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6017 1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0382 0.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6017 -1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1139 -2.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -3.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0054 -1.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7745 -3.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 -3.3087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7136 -6.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2562 -6.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6071 -3.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3807 -1.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3197 -1.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8624 -1.3472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5669 -4.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7933 -5.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3116 -6.1831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8543 -6.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6518 -0.1678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5153 -1.6918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0580 -1.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8186 0.8945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3613 0.8920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7848 -1.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2267 0.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5882 1.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2521 -4.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2932 2.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2903 -5.2522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2883 -6.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2952 3.4262 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 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 58 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 56 58 1 0 0 0 0 57 60 1 0 0 0 0 58 59 1 0 0 0 0 M END