MMs01318594 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 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 1.3028 -0.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 -0.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1885 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8857 2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4838 2.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7866 1.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8017 -1.4606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0818 2.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0742 3.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3846 1.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6798 2.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9826 1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 0.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2779 2.3221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5807 1.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5883 0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8911 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 0.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1787 1.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8759 2.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8684 3.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 5.3352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8986 -2.1648 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5947 1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 0.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5947 -1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9069 -1.9303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2383 -0.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8797 3.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5482 2.1078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4777 3.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9039 3.2243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4465 3.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2718 3.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5521 -0.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2285 -0.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2149 2.1970 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 3 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 26 27 3 0 0 0 0 M END