MMs01886831 MOE2007 2D CORINA 3.40 0006 02.08.2006 36 37 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 -1.3018 0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5925 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2908 -2.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0055 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3073 -2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6036 -1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9054 -2.2357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2016 -1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0191 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5034 -2.2261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7997 -1.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0904 0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3977 -1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1015 -2.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6995 -2.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9958 -1.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6885 0.7930 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8998 0.7357 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 0.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3062 1.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6296 -2.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2863 -3.4548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5393 -3.1673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -3.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9098 -3.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5078 -3.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7527 0.6248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0860 1.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 -3.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7050 -3.7070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7465 -4.3032 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 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 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 35 36 1 0 0 0 0 M END