MMs03453648 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.5000 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 1.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5107 2.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0107 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7446 1.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7339 3.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2339 3.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0215 5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7231 6.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0322 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5322 7.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2768 6.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5215 5.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2661 3.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8382 2.8696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7768 6.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5214 5.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 7.7756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0322 7.7694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4322 8.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7768 6.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2768 6.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0214 5.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2660 3.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5214 5.1527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 9.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 9.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6043 -1.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0957 -1.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4553 1.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 1.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9231 6.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 8.8359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 8.8247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9365 8.8173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6475 6.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9803 5.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0733 7.6437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4061 6.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1171 4.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1257 6.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0429 10.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6472 11.4042 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 43 44 1 0 0 0 0 M END