MMs01822131 MOE2007 2D CORINA 3.40 0006 02.08.2006 28 28 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 1.3041 -0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3143 -2.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -0.7235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5705 -0.5654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5666 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8077 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3427 1.5282 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6788 -0.9566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1716 -1.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7910 -2.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9328 1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3133 2.9951 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5929 1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0433 0.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5929 -1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -2.8482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3576 -2.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5898 1.2177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9103 -1.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2883 2.9496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6981 -2.9649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2866 -3.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8839 -1.9739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4256 1.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 2 0 0 0 0 M CHG 1 16 -1 M END