MMs01676568 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 0.0827 -1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3429 -2.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 -3.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -3.8438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0804 -2.4449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3524 -5.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6677 -6.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4812 -7.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9793 -7.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 -6.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8506 -5.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -4.9242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3868 -4.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 -3.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3341 -5.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8149 -5.6098 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7621 -6.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2599 -6.6902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9106 -5.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8013 -8.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2032 -8.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4419 -10.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2789 -11.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8770 -10.5172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6382 -9.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3780 -8.2228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8438 -10.6373 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1982 0.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0661 1.1982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1982 -0.0661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -1.8780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5308 -6.4982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 -8.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6301 -8.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8626 -6.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3983 -3.9621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -6.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2861 -6.4332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7279 -6.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1336 -7.8649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4699 -12.2355 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 6 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 M END