MMs01431179 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 56 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 1.2940 -0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -2.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5980 -1.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 1.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 2.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 3.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 3.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 2.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 -0.7760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 1.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0881 -0.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4021 1.4306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1081 2.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8041 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7061 2.1720 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9648 3.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4474 0.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0101 2.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1768 4.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6461 4.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3874 3.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3763 2.2941 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.8781 3.2353 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6069 1.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 0.6069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6069 -1.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7884 1.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 2.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3672 4.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 5.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3092 4.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3272 1.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -1.9760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7126 -1.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2552 -1.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8533 -1.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3106 -1.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7950 -1.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5752 0.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8855 3.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3429 3.1137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4012 2.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6209 1.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2904 5.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1415 5.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0520 0.0000 N 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 54 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 17 54 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 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 54 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 M END