MMs01493854 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.3765 -0.5960 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1358 0.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 2.0723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6008 0.3752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 -1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0405 -1.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 -1.7179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7227 1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1459 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4472 -0.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2678 1.8928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6910 1.4190 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3804 2.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1443 -0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6442 -0.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1180 1.4016 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.0703 2.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5883 1.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9108 2.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -1.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 -0.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3649 -1.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -3.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7444 -3.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -3.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8245 -3.5624 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.4768 1.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5506 0.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4768 -1.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 -2.8899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 2.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2936 2.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0267 3.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9687 -0.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2611 -1.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5102 -1.2141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8162 -0.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1143 3.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7202 3.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -0.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4821 -1.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -4.1512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5652 -5.1369 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 8 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 M END