MMs02759567 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7444 -1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4889 -2.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2856 -4.2489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3798 -4.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9834 -4.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8202 -6.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8729 -3.9849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6981 -4.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9884 -1.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4543 -1.9881 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4627 -0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0053 0.5509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0137 1.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4796 1.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9371 -0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9286 -1.1958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4029 -0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8604 -1.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3263 -2.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3347 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8773 0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4114 0.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5563 3.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0051 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2966 1.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6294 0.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9735 -1.0297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4427 -0.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2864 2.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0536 -2.7204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6922 -3.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5074 -1.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6840 1.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0454 1.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6991 3.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1904 4.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4135 2.7239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 M END