MMs00675801 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 -0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 1.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7593 1.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5188 2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7783 3.8697 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2593 1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0187 2.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4997 -0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2592 1.2169 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2402 -1.3811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7402 -1.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4996 -0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9996 -0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7401 -1.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9806 -2.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4807 -2.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7212 -3.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4617 -5.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7591 1.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0186 2.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0088 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0088 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -1.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -0.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 -1.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5922 -1.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6264 3.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3922 -1.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6327 -2.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9072 0.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9401 -1.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5730 -3.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4182 -5.8869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0541 -6.3381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5053 -4.7021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2590 1.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8666 2.2080 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 4 5 1 0 0 0 0 4 9 2 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 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 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 43 44 1 0 0 0 0 M END