MMs02748141 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 0.7419 -1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0161 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7258 -3.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2258 -3.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9838 -2.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2418 -1.3316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 1.2664 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0988 1.5770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6564 2.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7773 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0717 2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7507 1.4140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7474 0.2930 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6265 -0.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8684 1.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7442 -0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2718 -2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2686 -3.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7377 -3.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2101 -1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2133 -0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7345 -4.1907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 -5.1961 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 0.5935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 -0.5935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2161 -2.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8193 -4.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1838 -2.6241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4064 1.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6134 2.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9571 3.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8905 4.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4886 4.6037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5665 3.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2106 2.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0965 -2.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8907 -4.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3854 -1.4038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5912 0.6138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END