MMs01574498 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 46 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 0.9929 -1.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6668 -2.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9585 -3.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2562 -4.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 -5.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8026 -4.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5049 -2.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0829 -2.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 -0.9820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0961 0.0513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7093 -3.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8806 -4.6755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9143 -2.2919 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2249 -3.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 -0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2904 -2.8888 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4954 -1.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4809 -0.4955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9029 -0.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7963 -1.2231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9264 -2.4451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4037 -3.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8739 -4.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3512 -5.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3583 -6.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8881 -6.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4108 -4.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8356 -8.1332 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8995 0.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 0.8995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4498 -0.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3567 -5.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9163 -6.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9402 -4.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 -2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -0.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 0.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9352 -0.6648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6682 -3.2653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5273 -5.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0938 -7.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2347 -4.7534 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 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 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 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M END