MMs00647369 MOE2007 2D CORINA 3.40 0006 02.08.2006 31 33 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 -1.4712 0.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2042 -1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1861 -2.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 -1.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6938 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7119 -0.0905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7793 -3.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0742 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8980 -2.2080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4269 -2.5008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3829 0.0147 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6720 -0.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9807 -0.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0002 1.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2699 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5786 -0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8678 -0.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8483 -2.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5396 -3.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2504 -2.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1374 -3.0864 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 0.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9734 1.3826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 -2.0761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8888 -1.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4314 -1.6814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5942 1.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9147 -0.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5240 -4.2525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2035 -2.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END