MMs00675689 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 41 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 1.5000 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2569 -1.2869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7569 -1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5139 -2.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0139 -2.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7569 -1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2569 -1.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 0.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0138 -2.5497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5138 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2568 -1.2386 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -3.8367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7707 -3.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 -2.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0137 -2.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7707 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0277 -5.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5277 -5.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7846 -6.4105 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17.2707 -3.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0276 -5.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 1.1887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 0.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 -3.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6194 -3.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5943 1.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8944 1.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4194 -3.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6764 -4.8791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9082 -1.4896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6081 -1.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9333 -6.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0137 -2.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2137 -2.4949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 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 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 39 40 1 0 0 0 0 M END