MMs01087400 MOE2007 2D CORINA 3.40 0006 02.08.2006 29 31 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 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2433 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4866 2.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7567 1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2433 -1.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 -1.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -2.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1655 -3.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5945 -3.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9139 -1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8043 -0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8120 0.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3878 1.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9317 2.6148 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 -4.2694 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 1.3183 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 -1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1053 -1.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0813 3.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 3.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 2.3236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9128 -3.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9100 -4.8887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0570 -1.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 M END