D0Q8MI Wcorina 11010620313D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 40 41 0 0 0 999 V2000 -0.0179 1.4680 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5498 -2.6802 0.0120 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 1.1864 2.1886 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2377 2.1535 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 -4.0110 0.0077 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5733 -1.9077 0.0314 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1571 3.5723 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2558 3.5188 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0614 4.2389 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 -0.6938 0.0094 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1586 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0635 -0.5978 -0.0113 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0905 5.6298 0.0321 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8091 -2.7032 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7729 4.3624 0.0378 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3737 1.5320 -0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3088 -4.1619 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -5.1046 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5575 2.3322 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5155 -5.4936 1.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 1.6019 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 4.1328 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0023 -0.2203 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 -2.5197 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6258 -2.5101 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9406 6.0971 0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7391 6.1323 0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -2.5088 0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4053 -2.4906 -0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -4.6788 -0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6339 -4.6884 0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2967 -5.9650 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -4.7806 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 1.6843 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 2.9656 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 2.9572 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0879 -4.6332 1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4166 -5.8176 1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7903 -6.3073 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 12 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 3 11 1 0 0 0 0 3 13 2 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 5 9 2 0 0 0 0 5 22 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 17 20 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$