MMs02421863 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 0.7398 -1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2398 -1.3165 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6398 -2.3558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9796 -2.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 -3.9145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2397 -1.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 1.2581 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8600 0.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5201 2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0202 2.5746 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2803 3.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7804 3.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0203 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 2.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2195 3.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4594 5.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0405 5.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7599 1.2464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5200 2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7802 3.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0200 2.5278 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4200 3.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7801 3.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7598 1.2230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2598 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0199 2.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9996 -0.0936 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5996 -1.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2395 -1.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9794 -2.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4996 -0.1053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2597 1.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5199 2.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7597 1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4995 -0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9995 -0.1404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7596 1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2595 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0196 2.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2798 3.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7798 3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0197 2.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5198 2.4693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0439 0.5919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5919 1.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0439 -0.5919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 -1.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0548 -1.9899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6283 -3.6325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0143 -3.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 1.0205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6509 2.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 3.7463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4111 4.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0812 5.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6121 1.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 1.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4195 3.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0513 6.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6486 6.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3518 0.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8146 3.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3882 4.8555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7456 4.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1517 0.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3263 -0.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3143 -2.1509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3713 -3.7261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0915 -1.1492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8914 -1.1632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8514 0.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2196 2.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8879 4.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1879 4.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 -2.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0715 -3.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 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