MMs02229580 MOE2007 2D CORINA 3.40 0006 02.08.2006 30 32 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 -0.7587 -1.2940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2586 -1.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0173 -2.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -3.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 -5.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 -3.8920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 -2.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0348 -5.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4824 -2.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6292 -0.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2549 -0.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6038 -3.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0689 -2.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6699 -1.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8276 -4.2248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8314 -5.3462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 -4.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -5.5040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 -0.6069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6069 1.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 0.6069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -5.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 -6.2393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0085 -4.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6644 -0.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9144 -2.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0218 -4.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0887 -6.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 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 10 1 0 0 0 0 8 9 2 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 28 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 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 M END