MMs01682714 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 -1.5000 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5049 2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7476 1.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 3.8929 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0573 3.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7573 3.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5049 2.5896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0049 2.5868 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 1.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0077 4.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5049 2.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3888 3.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8145 3.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8117 1.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3843 1.3689 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.0236 0.9458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5097 5.1933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2622 6.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7622 6.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5146 7.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 9.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 9.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5146 7.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 7.7942 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6019 -1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0981 -1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4524 1.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5932 3.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 1.3027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5511 5.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8857 4.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9029 1.5515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0201 4.9379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7867 4.0332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3097 5.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3602 5.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7146 7.7835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 10.1243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 10.1294 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 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 38 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 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 M END