MMs01372636 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 -0.0338 -1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 -2.2787 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1775 -1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 0.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5845 -1.6215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5245 -3.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7019 -4.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0806 -3.5264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8322 -0.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1771 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5050 -0.7558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5788 -1.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0756 -1.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9081 -2.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2438 -4.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7469 -4.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9144 -3.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 -2.9318 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0416 -3.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 -2.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6394 -3.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -4.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3126 -5.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -4.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9105 -5.3429 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 -0.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 1.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1997 0.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6221 -1.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4695 -2.6177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 -4.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 0.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5425 0.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6071 -0.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1056 -2.8763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9098 -5.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2154 -5.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 -1.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -2.4899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2977 -6.5106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0236 -5.1317 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 3 9 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 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 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 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 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 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 41 1 0 0 0 0 25 42 1 0 0 0 0 M END