MMs03130935 MOE2007 2D CORINA 3.40 0006 02.08.2006 80 82 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 1.2842 -0.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5684 -1.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0593 0.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5091 -2.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 -3.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 -3.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 -4.6569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 -5.9703 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0169 -5.9703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6828 -5.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4074 -7.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7707 -8.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8657 -9.6963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7171 -10.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1791 -8.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 -7.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0299 -6.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4472 -7.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7304 -8.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5964 -9.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4079 -7.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 -8.5679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0918 -7.2253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8669 -8.5095 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4669 -7.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1423 -9.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9175 -11.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1929 -12.4205 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -13.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3666 -8.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1418 -9.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0912 -7.1669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5909 -7.1377 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9909 -6.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3155 -5.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8152 -5.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5904 -7.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0901 -7.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8146 -5.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0395 -4.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5398 -4.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3661 -8.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6415 -9.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8658 -8.3928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3101 0.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0274 0.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6201 -1.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9483 -2.5776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5958 -2.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8784 -1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 0.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 1.5364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5457 0.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7413 -4.6336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4975 -4.8139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8182 -5.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5923 -8.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8033 -5.3385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3544 -6.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8643 -8.8740 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