MMs01339541 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 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 1.2938 -0.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8918 -0.7771 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8918 0.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 -2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4898 -0.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4794 -2.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9612 1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4306 1.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4420 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8080 2.2261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6409 0.7355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1715 0.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1601 -0.6739 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7486 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4265 -1.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5342 -2.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9640 -2.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2860 -0.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1783 0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0717 -3.3103 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.1404 4.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6072 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 0.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6072 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5161 -1.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0587 -1.6836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 0.9065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 0.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6814 -2.2687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 -3.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0813 -2.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2044 1.1638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 2.2455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2827 -2.1038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2765 -3.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4299 -0.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4360 1.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3158 4.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8990 5.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9649 4.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 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 17 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END