MMs01398231 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 57 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 1.3022 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9002 -0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9065 -2.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2086 -2.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2149 -4.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -5.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9252 -6.7337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6168 -4.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 -2.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5045 -2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -2.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1026 -2.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0963 -0.7121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4047 -2.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4110 -4.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7131 -5.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0090 -4.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0028 -2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7006 -2.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2987 -2.1904 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.0541 -3.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5433 -0.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5946 -1.4350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8967 -2.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1926 -1.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1864 0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4823 0.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7844 0.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7907 -1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4948 -2.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3112 -5.1904 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5957 1.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5957 -1.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5931 1.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9369 -0.1294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2566 -5.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 -2.8489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7293 -1.3069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 -1.3004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3742 -5.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7181 -6.4012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6956 -1.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5896 -0.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1292 -3.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6719 -3.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1447 0.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4773 2.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8211 0.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8324 -2.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4998 -3.3688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 0 0 0 0 3 4 2 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 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 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 52 1 0 0 0 0 32 33 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 M END