MMs01648258 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 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 1.3749 0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 -0.2911 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5817 0.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4137 -1.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9566 0.3087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1634 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1521 -2.0821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5752 -2.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0279 -3.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4660 -1.3496 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0660 -2.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5935 -0.1294 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9659 -1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7257 -0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2257 -0.0789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9855 1.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4854 1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2256 -0.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7255 -0.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4853 1.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7452 2.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2452 2.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9853 1.1691 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4798 1.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0999 -0.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4798 -1.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7114 1.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 1.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2212 -1.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.9741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6061 -1.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -2.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7486 -2.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0904 -1.7798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8178 -1.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8610 1.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2028 2.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6178 -1.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3177 -1.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3530 3.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6531 3.5402 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 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 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 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 M END