MMs01830453 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 46 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 1.4961 0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4626 -1.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 -0.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7446 1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 1.3814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 1.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3023 1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5441 2.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5934 3.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7280 1.3980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2179 -0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7187 0.0367 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4017 -0.9337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6436 -0.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2272 1.3487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0542 -0.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3176 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7282 -2.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8753 -1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6119 -0.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2013 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2859 -2.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4330 -1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1695 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8436 -1.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0861 1.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1969 -0.0861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0861 -1.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1747 -2.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8712 -1.1085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6809 3.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4000 -2.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9390 -3.7707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5295 0.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9905 1.5453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2815 -0.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3509 0.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9588 1.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9882 0.0994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4355 -2.8051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9721 -2.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2517 -0.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 6 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 13 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 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 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 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END