MMs01239087 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 40 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 1.4722 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1052 -1.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5941 -1.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7255 -2.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1441 -1.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4314 -0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 0.7349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2755 -2.9479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6941 -2.4606 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1814 -3.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2068 -1.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1127 -1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4000 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8186 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9500 -0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6627 -2.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2441 -2.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3686 -0.5113 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -2.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1228 -2.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1486 -4.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2298 1.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1778 0.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2298 -1.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4957 -3.6282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5663 -0.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5299 1.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0456 -4.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4949 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0485 1.1641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5678 -3.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0143 -4.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1196 -4.8622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -5.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1777 -3.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END