MMs01085188 MOE2007 2D CORINA 3.40 0006 02.08.2006 21 21 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 -1.5000 0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2444 1.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4889 2.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0111 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0128 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7444 1.3151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4888 2.6173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9888 2.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7444 1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 0.0321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7333 3.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4777 5.2282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5956 -1.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1044 -1.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0844 3.6463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6155 3.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3488 0.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0111 2.5852 0.0000 O 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 16 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 21 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 3 0 0 0 0 14 15 3 0 0 0 0 M CHG 1 8 -1 M END