D0X8QI Wcorina 11010620263D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 42 44 0 0 0 999 V2000 -0.0164 1.3569 0.0095 N 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 1.2931 1.7880 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2299 -0.4342 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0803 0.6229 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8642 2.9819 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 -0.8842 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6494 -1.1744 -1.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8727 -2.0545 -1.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4732 0.7460 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 2.2076 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3527 -2.4130 -0.3738 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1737 3.1202 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0157 2.0178 -0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6109 2.4916 1.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -2.4403 -2.5822 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3483 3.0126 4.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7382 2.2334 -0.0384 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8113 3.3397 5.6988 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0999 3.5965 2.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4949 1.6501 2.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8638 1.9100 3.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4677 3.8573 3.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9722 0.1414 -2.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 -1.8866 -2.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9912 -1.8216 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0307 -0.3768 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1075 -0.1280 -0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9906 3.1459 -0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0242 1.6968 -0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6009 4.1121 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2123 -3.0046 -2.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 4.2560 1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8975 0.7897 1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 1.2501 3.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0684 4.7206 3.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0874 0.7780 -2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2773 -0.0653 -3.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7817 0.6488 -1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2831 -2.8240 -1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8182 -2.0933 -3.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3717 -1.2500 -2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 11 1 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 6 13 2 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 14 2 0 0 0 0 10 28 1 0 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 32 1 0 0 0 0 17 22 1 0 0 0 0 17 19 1 0 0 0 0 17 23 2 0 0 0 0 20 23 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$