MMs03684692 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 0.0097 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3136 -2.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2845 -2.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5883 -1.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8825 -2.2751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1864 -1.5335 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1864 -2.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3528 -0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8220 0.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5636 -1.0443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5527 -2.1525 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.7118 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 -3.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9961 -4.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4722 -3.9034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2138 -5.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6830 -4.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8494 -3.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4830 -2.7952 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.5223 -2.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0288 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0396 -0.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0489 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -3.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 -2.8348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9068 -1.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2767 -3.4583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8747 -3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1528 -0.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2351 1.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4585 1.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9214 0.7406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1144 -5.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5772 -6.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8007 -6.0991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8829 -4.9126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0215 -3.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2276 -2.2753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 M END