D0Q6CJ Wcorina 10100417273D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 29 31 0 0 0 0 0 0 0999 V2000 -2.0621 6.3590 0.0581 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 1.3451 0.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5693 -0.4291 -0.0348 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1605 -4.8556 -0.0346 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9487 -4.8882 -0.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0965 -4.2630 -0.0208 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2294 -0.6851 -0.0134 C 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 1.1076 2.0780 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 3.5503 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4744 0.1085 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3469 1.5174 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 -2.0787 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -0.7330 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0738 -2.7830 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1399 -2.1110 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2627 4.1571 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 4.3421 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 5.5341 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0334 5.7167 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7843 6.3124 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 2.1433 -0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2021 -2.6030 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1316 -0.2206 0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -2.6732 0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1564 3.5508 0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 3.8789 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9225 6.3297 0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 7.3892 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 11 2 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 M CHG 2 4 -1 6 1 M END $$$$