MMs01885836 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 0.7412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5879 -1.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5001 0.7063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 0.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0699 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.9122 2.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2162 2.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 2.9824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3141 2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0202 2.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6283 4.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0432 -0.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 -1.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5082 1.9062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0165 -0.9665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5592 -0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3330 1.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8756 1.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8283 4.4743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6364 5.6824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4283 4.4905 0.0000 H 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 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 M END