MMs03089494 MOE2007 2D CORINA 3.40 0006 02.08.2006 103103 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 1.3579 -0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5887 0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -0.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1775 0.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5354 -0.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7662 0.6606 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7662 -0.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5828 2.0997 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5436 1.4997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7119 3.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1324 2.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4216 4.5479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3008 5.6359 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9008 4.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6798 5.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0791 7.3166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8093 4.9047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2255 5.4052 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9149 4.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3926 4.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7418 5.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3474 3.0538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6316 2.2656 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6709 1.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6146 0.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9124 0.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3261 0.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3435 -1.4840 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3435 -2.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0490 -2.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0546 -3.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7461 -1.4920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4524 -2.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1473 -1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8733 -2.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0878 -0.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6492 -2.2224 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6884 -2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9415 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6626 -3.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9453 2.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2292 2.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4469 6.8888 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.4469 8.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2728 7.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8424 7.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0638 8.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5426 6.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0426 6.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3008 5.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2844 8.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9652 4.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 2.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5098 1.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0863 0.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5098 -1.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6673 -1.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2044 -1.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7422 1.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2794 1.2015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 -1.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7931 -1.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 1.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5228 0.9311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8447 -1.1781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3819 -1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5898 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2915 2.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2806 0.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7437 -0.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2332 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6977 -3.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5508 -2.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9753 -0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3322 -0.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7072 -4.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1924 3.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7348 3.8935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2802 2.7933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0196 8.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3335 8.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5260 6.8830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0819 6.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0420 7.4705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2507 8.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2409 10.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8770 9.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6676 7.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3267 8.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8426 6.9207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2578 6.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7074 4.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8223 5.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3198 8.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6778 9.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2490 7.6084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2522 6.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 5.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8217 4.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3924 3.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0577 3.0558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9675 2.0697 0.0000 H 0 0 0 0 0 0 0 0 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