D0IV4C Wcorina 11010620313D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 36 37 0 1 0 999 V2000 -0.0179 1.4699 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.1596 0.0028 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1201 3.6245 0.0108 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3951 4.1475 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 3.5246 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7679 4.0043 -0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7341 5.1068 -1.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5306 5.7291 -1.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3605 5.2468 -1.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0012 4.1250 1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 2.0636 0.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1696 -0.7020 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 -2.1717 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0145 -2.8166 -0.0132 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -4.1307 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 -4.8970 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3178 -4.2664 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3538 -2.8822 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7596 -4.9874 -0.0415 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2518 -0.7031 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2431 -1.2577 -0.0261 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9865 1.6861 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 3.9795 -0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6249 2.6633 0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7082 3.5181 -0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6479 5.4820 -2.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 6.5906 -2.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 5.7330 -1.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 5.2149 1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 3.7467 1.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8535 3.7700 2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1121 -0.1747 0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0218 -5.9752 -0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2314 -4.8423 0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2984 -2.3590 0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 2 1 0 0 0 0 1 11 2 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 24 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 21 22 3 0 0 0 0 M END $$$$