MMs01253889 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 -0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7579 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5159 2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 3.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2739 3.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5159 2.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5319 5.1868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0319 5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0158 2.5612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7578 1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2578 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 -0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2418 -1.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4839 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2259 -3.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7258 -3.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4838 -2.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7418 -1.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4997 -0.0829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7577 1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2578 1.2300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9838 -2.6901 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.4679 -5.2605 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0074 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3515 0.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 4.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3159 2.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 6.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1681 5.2034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0245 3.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6222 3.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0567 2.4314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3879 1.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2839 -2.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3194 -5.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3641 2.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 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 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 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 40 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 M END