MMs01939398 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 49 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 0.2354 -1.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 -2.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3384 -3.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2829 -4.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7461 -6.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2647 -6.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6799 -5.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1431 -3.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 -2.5426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 -2.3555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9084 -1.4801 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3947 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0036 0.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7941 1.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9757 2.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5762 0.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8202 0.0152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4075 -1.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3316 -2.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2295 0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3790 -0.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8343 -0.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6298 -1.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6662 -2.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2752 -1.9311 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 2.5369 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 -2.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 0.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1883 1.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1851 -0.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4681 -4.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 -7.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1648 -7.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -5.4677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 0.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 4.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3119 3.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 1.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1483 1.3007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2833 1.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8269 -1.4258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9571 -3.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 -3.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 29 45 1 0 0 0 0 M END