D0P3XL Wcorina 10100417253D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 32 35 0 0 0 0 0 0 0999 V2000 5.5066 -3.1521 -2.0663 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3207 -5.1562 0.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 1.3855 0.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8486 -5.0733 -0.1898 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 -2.4383 -0.1443 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 -0.0287 0.2192 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3095 -3.1040 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0587 -2.8645 -0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3401 -2.1693 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7218 -4.1036 -0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1655 -0.7129 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4696 -0.1870 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3588 -4.5500 0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3783 -1.3257 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7282 -1.7241 -1.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0478 -4.1748 -1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0014 1.0968 0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7583 -1.0845 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 -1.8179 -1.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7005 -3.0391 -1.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3548 1.2706 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2229 0.1975 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0795 -6.0081 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2169 -0.7735 -1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5706 -5.1193 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3434 1.9438 0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4543 -1.9013 -0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5655 -0.9387 -1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8492 -0.5103 0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7592 2.2617 0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2882 0.3738 0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8778 1.7813 0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 32 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 4 23 1 0 0 0 0 5 9 1 0 0 0 0 5 14 2 0 0 0 0 6 11 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 24 1 0 0 0 0 16 20 2 0 0 0 0 16 25 1 0 0 0 0 17 21 2 0 0 0 0 17 26 1 0 0 0 0 18 22 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 M END $$$$