MMs01792505 MOE2007 2D CORINA 3.40 0006 02.08.2006 79 83 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 0.9395 -1.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3966 -2.5676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 -0.9404 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2709 0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6435 1.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6429 0.0383 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9535 1.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8879 -1.2579 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6329 -2.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1329 -2.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8879 -1.2694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4879 -0.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1429 0.0325 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5429 -1.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8979 1.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3979 1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1429 0.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6429 0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3879 -1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6329 -2.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1329 -2.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3879 -1.2751 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6329 -2.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8879 -1.2924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6329 -2.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1329 -2.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8779 -3.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1229 -5.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3779 -3.9077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1229 -5.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6229 -5.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3778 -3.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8778 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6228 -5.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8679 -6.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3679 -6.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1228 -5.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8778 -3.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0229 -2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -2.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 0.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7516 0.9355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -0.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0961 0.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9044 1.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0475 2.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6170 1.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5037 -2.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 -3.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 -3.7465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2590 -2.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7718 1.7434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1108 2.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1940 2.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5271 1.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2469 1.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2289 -3.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3368 -3.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0037 -2.9831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 -1.9673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0289 -3.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6698 -3.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4919 -0.2555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9290 -1.4175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2621 -2.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9818 -2.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9937 -5.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3267 -6.3922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7818 -2.8777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4818 -2.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4639 -7.5646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7639 -7.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0425 -1.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6768 -2.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -3.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -2.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8678 -6.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0678 -6.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 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