MMs00986363 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 57 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 1.2947 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8927 -0.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2048 1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4907 -0.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0888 -0.8028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4008 1.4397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6868 -0.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 -0.0754 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2848 -0.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2761 -2.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5708 -3.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5621 -4.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8742 -2.3480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8829 -0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5882 -0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5969 1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9003 2.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1949 1.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1862 -0.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9090 3.6519 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.1688 -3.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0357 0.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0607 -1.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 0.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9864 0.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -1.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6587 -1.6963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6217 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3853 1.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5161 3.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8744 2.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 1.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2567 -1.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7141 -1.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0281 0.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 0.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0818 -2.0027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9101 -1.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4528 -1.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2334 -2.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5612 2.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2376 1.9884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2220 -0.7116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5628 -4.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2045 -3.7115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7748 -2.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0302 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1961 -1.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 55 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 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 7 42 1 0 0 0 0 7 55 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END