MMs01709516 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.3051 -0.7394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3173 -2.2394 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 -2.2272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1827 -2.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3294 -3.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0365 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0487 -5.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 -6.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -8.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -5.9787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6345 -4.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9518 -6.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2447 -5.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2325 -4.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5498 -6.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7187 -8.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1884 -8.4874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6854 -9.5797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9278 -7.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9151 -6.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3670 -4.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8317 -4.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8444 -5.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3925 -6.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 1.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 0.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 -1.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 -1.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6323 0.6295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9896 1.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0075 -3.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9856 -6.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 -3.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1879 -7.6436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7306 -7.6311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8335 -8.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5569 -3.7603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1932 -3.1775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0161 -5.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2026 -7.7438 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 1 0 0 0 0 2 4 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 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 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 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END