MMs02467785 MOE2007 2D CORINA 3.40 0006 02.08.2006 79 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 -0.7604 -1.2930 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4396 -1.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0209 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7813 -3.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 -2.6101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2186 -3.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7185 -3.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 -2.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4581 -5.2322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 -5.2442 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3580 -6.2835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7184 -3.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2184 -3.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9788 -2.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4788 -2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2183 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4579 -5.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9579 -5.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6975 -6.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9371 -7.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1975 -6.5613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9370 -7.8664 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5370 -8.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4370 -7.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1765 -9.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6765 -9.1955 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4160 -10.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1766 -9.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6766 -9.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9161 -10.4644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2604 -1.2809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2395 1.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 0.0362 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8999 1.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2394 1.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7393 1.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4998 0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9997 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7392 1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9788 2.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4789 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2392 1.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0344 -0.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 1.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0344 0.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0874 -1.5757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -4.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4175 -5.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 -6.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5941 -3.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9363 -2.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3872 -1.6264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0871 -1.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4183 -3.9971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0495 -6.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6538 -5.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5017 -6.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2381 -6.6950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5679 -7.4771 0.0000 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