MMs02591895 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 42 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 0.7516 -1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 -1.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0032 -2.5943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6032 -1.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2548 -3.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0065 -5.1924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -2.5925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3834 -1.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9181 0.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 -1.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0230 -0.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3941 -1.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6065 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9776 -1.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1362 -2.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9238 -3.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5527 -3.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5073 -3.3900 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.7197 -2.5069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6659 -4.8816 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8124 -3.3396 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3864 -3.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9247 -5.2321 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 0.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 -0.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4484 -1.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0367 -1.9994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5955 -3.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0432 -3.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 -0.1147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3787 -0.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8961 0.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4796 0.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9475 -0.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0507 -4.8581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5828 -3.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7548 -3.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1561 -4.9362 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 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 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 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 35 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 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END