MMs01302455 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 46 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 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2425 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 2.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7575 1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2574 1.2861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3746 -1.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0543 -2.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1632 -3.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5925 -3.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8038 -0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 0.7108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3886 1.1826 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8429 -5.1854 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7425 1.3206 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7511 -0.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7338 2.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2424 1.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1311 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5550 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5464 2.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1171 2.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1059 -1.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 3.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6209 3.6338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8634 2.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9109 -3.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4796 -4.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0561 -1.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0953 -0.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6255 -0.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8112 -0.5798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7477 0.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7405 1.9739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7891 3.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0745 3.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5989 3.6468 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END