MMs02189590 MOE2007 2D CORINA 3.40 0006 02.08.2006 77 80 0 0 0 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 1.4919 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4949 -0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8656 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7096 1.1419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6019 1.9443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2426 1.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 2.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1416 2.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6077 4.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 3.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2327 2.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5322 1.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8628 1.8687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1893 4.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6161 4.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 5.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1642 -1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4637 -0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8337 -0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8380 0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0887 1.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6213 1.1403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6996 2.8213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1914 2.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9422 4.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4092 3.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5652 2.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8638 1.7206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1945 1.8619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5245 4.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3328 5.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2152 6.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3297 -0.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1447 -2.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5710 -2.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8821 -4.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7668 -5.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1823 -2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -2.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4427 -4.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5569 -5.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1248 1.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1935 -0.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1248 -1.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3391 3.7957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 0.6948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9391 6.1492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5074 5.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8663 3.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 5.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4919 6.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0928 6.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1635 -2.3007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9948 3.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9444 0.6883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3270 4.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4167 5.7687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7220 5.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1395 5.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4086 6.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7277 7.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2036 -1.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5230 -0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4558 1.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9454 -2.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9770 -3.6179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7387 -1.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7703 -2.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3815 -2.4689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3486 -3.6148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5891 -1.7007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4438 -2.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3084 -4.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9841 -4.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2343 -5.9925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5572 -5.9997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 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