MMs00748598 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 50 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 1.2954 -0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 -0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4915 -0.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4843 -2.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0896 -0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3994 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1039 2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8013 1.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5059 2.2189 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.6876 -0.8060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 -0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9974 1.4378 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2857 -0.8184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5883 -0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5955 1.4253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8837 -0.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 -0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4818 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7844 -0.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0798 -0.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0726 -2.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7700 -3.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4746 -2.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 0.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5197 -1.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 -1.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8311 0.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3738 0.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1177 -1.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6604 -1.6916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0838 -1.9935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4415 2.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1097 3.4064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6819 -2.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2799 -2.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8780 -2.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1921 1.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7901 1.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1219 -0.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1090 -2.9607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7643 -4.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4325 -2.9383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M END