D0H2UM Wcorina 10100417243D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 32 34 0 0 0 0 0 0 0999 V2000 -6.2258 0.3357 -3.6489 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 1.4168 0.0098 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 2.2101 0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8363 5.5847 1.0611 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0089 3.9567 -0.1887 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9002 1.8797 -1.3124 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1331 1.3723 -1.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5356 2.0261 -2.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9297 1.8941 1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5163 2.8276 -2.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4568 2.9591 -3.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 0.4133 -1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 3.2463 1.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 1.7095 -3.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4318 0.9330 2.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 0.1156 -1.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5655 0.7642 -2.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 3.6158 2.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 1.3062 3.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 2.6442 3.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 4.2812 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4079 3.3850 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 3.6291 -4.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6697 -0.0964 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0737 2.2099 -4.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2651 -0.1132 2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8176 -0.6292 -1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0494 4.6597 3.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 0.5495 4.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9269 2.9285 4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4701 6.2250 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 5 22 1 0 0 0 0 5 32 1 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 16 2 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 13 25 1 0 0 0 0 14 19 2 0 0 0 0 14 22 1 0 0 0 0 15 18 2 0 0 0 0 15 26 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END $$$$