MMs01082508 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 40 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 1.3141 -0.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5975 0.0533 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5583 0.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5668 1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9117 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9424 -2.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1951 0.1066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5092 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6966 -2.1049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1699 -2.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8931 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 0.0215 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3813 -0.8851 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1940 0.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8696 -0.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7760 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2642 -1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8461 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9397 0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4514 0.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3343 -0.1356 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 16.9162 1.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2407 -1.3308 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5786 1.0513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0513 0.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5786 -1.0513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5618 -1.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.6264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7665 1.5776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 2.7527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 1.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1704 1.3063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6803 -3.4726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3105 -2.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9893 -2.6617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4052 1.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7263 1.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END