MMs01475168 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 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 1.2982 -0.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0030 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5981 -1.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5998 1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 -0.7546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1979 1.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4943 -0.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0924 -0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0906 -2.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3941 1.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6940 2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9921 1.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 -0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6905 -0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6887 -2.2637 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.9869 -3.0152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3888 -3.0121 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.2920 2.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5902 1.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6957 3.7363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3976 4.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 0.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6012 -1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5257 -1.6699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0684 -1.6717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7998 1.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6012 2.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 1.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 -1.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7219 -1.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2646 -1.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3555 2.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0289 -0.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9890 0.4433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6287 0.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1914 2.5203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9988 5.5264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3590 5.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7963 3.4493 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 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 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 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END