MMs00035894 MOE2007 2D CORINA 3.40 0006 02.08.2006 77 81 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 0.7424 -1.3034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0153 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2423 -1.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2423 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4847 -2.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9847 -2.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7423 -1.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4846 -2.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7575 1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5151 2.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0151 2.5451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7575 1.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3575 0.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 1.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 2.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 -0.0705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4998 -0.0793 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8998 -1.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2574 1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7574 1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6319 -0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0612 0.4429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0278 -0.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0700 1.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6462 2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3429 3.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4635 4.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8873 4.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1906 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2421 -1.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7421 -1.3916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4845 -2.6774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7727 3.8398 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0673 3.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4781 4.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5304 5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0303 5.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7879 6.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0456 7.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5456 7.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 6.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 0.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5939 1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0427 -0.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -1.9919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6214 -3.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0204 -3.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 1.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 1.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0785 -3.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3786 -3.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8337 0.4934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8428 2.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3899 2.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7305 3.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7845 -1.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -0.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3937 -1.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1322 1.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4727 2.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2544 -1.1513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2038 4.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2209 6.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7838 5.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3297 2.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2845 -2.6703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0784 -3.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6242 4.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9879 6.4131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6517 8.7593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9517 8.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5880 6.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 50 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 9 2 0 0 0 0 5 6 2 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 54 1 0 0 0 0 7 8 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