MMs01270744 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 61 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 0.8172 -1.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6344 -2.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4406 -2.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0751 -0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9962 1.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2541 1.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5907 1.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6695 -0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4117 -1.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8486 2.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7698 3.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1852 1.3303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2483 0.1320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4431 2.1475 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4431 0.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3643 3.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6221 4.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5433 5.9606 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8011 6.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7797 1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8585 -0.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1952 -0.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2740 -2.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0161 -3.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6106 -2.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2913 -1.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9299 -4.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9473 -3.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0063 0.6538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6538 1.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5031 -0.3269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1313 -2.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2882 -3.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6407 -1.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7675 -1.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4469 -2.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1137 -2.5782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9269 1.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 3.0729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7389 -0.8487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4747 -2.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1951 3.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8952 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0912 3.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7913 4.7328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4549 5.7715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8074 7.4316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1474 7.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5458 0.4358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7907 -0.7848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8260 -1.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8359 -0.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7567 -1.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8606 -3.6826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3853 -5.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4646 -4.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6750 -4.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0166 -4.1158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2196 -3.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 M END