MMs02461721 MOE2007 2D CORINA 3.40 0006 02.08.2006 84 88 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 0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 2.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 1.5110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0981 0.0110 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0981 -1.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3991 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4031 -2.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -2.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0012 -2.2285 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0012 -3.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9972 -0.7285 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6961 0.0180 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6921 1.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3911 2.2645 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4303 2.8645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6476 3.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 4.1558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9931 0.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5952 -0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5993 -2.2216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0235 -1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 -2.9750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3063 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6073 -5.2216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5681 -5.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9043 -4.4681 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9043 -5.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9003 -2.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4003 -2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1538 -4.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3538 -4.2578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6468 -1.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1468 -1.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7440 -0.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2054 -5.2146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2086 -6.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6113 -6.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6522 -7.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6033 -3.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2982 -1.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8296 2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4187 3.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7535 -1.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 1.3982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0825 2.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0192 3.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1774 2.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4166 -1.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5749 -1.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3655 -2.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9353 -3.9033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4780 -3.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8744 1.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0995 2.6467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5959 -0.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0308 1.3742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3904 1.8091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5204 0.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0631 0.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0026 0.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1864 -0.8242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1239 -4.2698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8989 -5.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1888 -1.7828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5268 -2.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0825 -1.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8520 -0.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0061 -4.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1237 -4.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2005 -2.6807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7010 -2.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8186 -1.7737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8954 -0.4342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 -0.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1563 -2.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2739 -1.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9761 3.9548 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 51 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 53 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 55 1 0 0 0 0 8 56 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 57 1 0 0 0 0 11 12 1 0 0 0 0 11 58 1 0 0 0 0 11 59 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 23 1 0 0 0 0 22 65 1 0 0 0 0 22 66 1 0 0 0 0 23 24 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 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