MMs01589842 MOE2007 2D CORINA 3.40 0006 02.08.2006 31 33 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 -0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 1.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5077 2.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0077 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7461 1.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7384 3.8993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7307 6.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5154 5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2616 3.8904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7616 3.8859 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7571 2.3860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 5.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0077 2.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5077 2.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2616 3.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5154 5.1738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 5.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7615 3.8681 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6031 -1.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0969 -1.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 1.2888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9461 1.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9384 3.9029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 6.3741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 5.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4046 1.5428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1046 1.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4185 6.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 31 1 0 0 0 0 M END