MMs02217884 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.3043 -0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3149 -2.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6191 -2.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9129 -2.2225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 -0.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0366 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5003 -0.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5395 -1.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5109 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7835 1.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0983 -0.6859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 0.0732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6963 -0.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 0.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9795 1.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2732 2.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5775 1.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5881 0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2943 -0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3049 -2.1493 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 16.6851 2.6213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0654 3.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5747 3.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6297 -4.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5927 1.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0434 0.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5927 -1.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 -2.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3109 -2.2126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5193 -3.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7108 -2.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1068 -1.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7048 -1.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9361 2.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6315 -0.4829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2040 4.3661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8076 5.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 -4.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6382 -5.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8297 -4.4731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 36 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 37 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END