MMs01669630 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 1.2973 -0.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2939 -2.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5913 -3.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 -2.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1893 -3.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1859 -4.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8852 -5.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -4.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2871 -5.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 -6.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4832 -5.2647 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4440 -5.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 -6.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7840 -4.5177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0813 -5.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0779 -6.7706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3821 -4.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3855 -3.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6862 -2.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9835 -3.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9801 -4.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6794 -5.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2775 -5.2824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5782 -4.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8755 -5.2883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5816 -3.0354 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.5816 -1.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2843 -2.2825 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.8823 -2.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6024 1.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 0.6024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6024 -1.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 0.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 -0.9640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 -1.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2299 -2.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 -6.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4659 -6.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6916 -7.8815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6147 -6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0576 -8.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5806 -8.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2798 -6.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4771 -7.9647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6798 -6.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7867 -3.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3476 -2.4212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6889 -1.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6767 -6.4765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2747 -6.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4800 -3.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9229 -1.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2847 -1.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END