MMs02472133 MOE2007 2D CORINA 3.40 0006 02.08.2006 77 80 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 1.3014 -0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8995 -0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4975 -0.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5023 -2.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2056 -2.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -2.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6076 -2.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 -4.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 -2.2459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0143 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2824 -5.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5838 -4.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5886 -3.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2919 -2.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8805 -5.2623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1819 -4.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8037 -2.9753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1003 -2.2212 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1003 -3.4212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4018 -2.9671 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4410 -3.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6984 -2.2130 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7376 -1.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6937 -0.7130 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6937 0.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0329 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3530 0.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0956 -0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 1.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0861 2.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0813 3.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7799 4.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3780 4.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9856 1.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6842 2.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2822 2.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9998 -2.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2965 -2.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2917 -0.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5979 -2.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4065 -4.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7079 -5.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0046 -4.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7127 -6.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5967 1.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0411 0.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5967 -1.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1923 1.2165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5349 -0.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2094 -4.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0554 -5.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2786 -6.4541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6297 -2.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2957 -1.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5852 -3.4753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2230 -3.9197 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