MMs02153512 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 1.2966 -0.7542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6029 1.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9044 2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 1.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 -0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4927 -0.7711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4879 -2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7845 -3.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0859 -2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3825 -3.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0908 -0.7795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7990 1.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6889 -0.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 -0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2869 -0.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2821 -2.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9806 -3.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6840 -2.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4678 -4.4915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2679 -5.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9756 -4.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3699 -3.2711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6034 1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 0.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6034 -1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5656 2.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 3.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2422 2.0798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8908 -1.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6239 0.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1666 0.8831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9942 1.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3281 -0.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3193 -2.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9767 -4.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1634 -2.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3722 -5.6807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 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 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 M END