MMs00930250 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.2400 -0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -2.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7261 -2.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 -1.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6517 -0.3370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0695 -1.4769 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0235 0.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 -2.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5688 -1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 -2.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8576 -2.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5674 -1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7779 -0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2786 -0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4891 1.1660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0667 -1.2928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9851 -2.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3968 -1.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3508 -0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9107 -0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6471 -3.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1464 -3.8897 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2332 -4.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6752 0.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 0.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6752 -0.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3373 -3.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7904 -3.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3457 0.9937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9648 -3.1103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5066 -3.5595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6822 -3.1372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5859 -1.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5475 -0.5611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5642 0.7085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8535 0.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3649 1.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 -4.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6389 -5.3039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3626 -3.7689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9373 -5.2571 0.0000 O 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 6 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 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 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 42 2 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M CHG 1 23 -1 M END