MMs02449328 MOE2007 2D CORINA 3.40 0006 02.08.2006 95 98 0 0 1 0 0 0 0 0999 V2000 1.3388 0.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5204 1.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2308 3.0414 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8308 2.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7192 3.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4033 4.3127 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1967 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 5.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9431 4.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6635 5.6226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5126 6.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8655 8.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3702 8.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6413 6.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8427 6.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6532 8.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8956 9.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 9.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1117 8.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8285 6.7340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4285 7.7732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3894 6.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5132 4.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0713 4.3195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 5.4924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1058 6.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3509 4.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3033 3.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9543 4.1075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5011 2.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3715 1.7976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9057 2.3389 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.9449 1.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0185 0.8106 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0185 -0.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7332 0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3228 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4264 -1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1325 3.1679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5055 2.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 -8.9201 6.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0246 7.8696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8761 9.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5076 9.1791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2646 6.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4094 4.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6769 4.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3366 4.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9828 2.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3546 1.5067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2142 0.2499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9574 1.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0830 2.9527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 1 55 1 0 0 0 0 2 3 1 0 0 0 0 2 56 1 0 0 0 0 2 57 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 58 1 0 0 0 0 5 59 1 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 61 1 0 0 0 0 11 12 2 0 0 0 0 11 62 1 0 0 0 0 12 13 1 0 0 0 0 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