MMs01271182 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 47 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 1.2983 0.7514 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2590 1.3514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 2.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 3.0027 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5557 3.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2967 2.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5934 4.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4944 0.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7955 -1.1918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0925 0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0909 2.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2046 3.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5930 4.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1014 4.4757 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7911 3.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4928 2.2568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6721 2.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2837 1.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7753 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0856 3.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7858 3.9589 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 1.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 -0.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6011 -1.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8277 -0.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3704 -0.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 3.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0767 2.0469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 4.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5921 5.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 4.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9685 -0.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 -0.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1919 5.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6847 0.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5792 0.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1813 3.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 0.7541 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8963 -0.4459 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 2 8 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 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 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END