D03PKJ Wcorina 11010620283D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 42 46 0 0 0 0 999 V2000 -0.0167 1.3793 0.0096 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 1.2112 -0.6869 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4044 0.0158 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3877 1.4114 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 2.0900 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6177 2.1447 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5934 2.7264 -0.0252 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5331 2.2243 0.0214 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2235 -2.0457 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.6943 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 -3.0194 -1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8124 -3.6828 -1.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4222 -4.0266 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 -3.7098 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5766 -3.0434 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 -2.5961 -2.7097 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1599 -3.9113 2.5107 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3744 -4.5764 2.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -6.0529 3.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6732 -6.6505 4.2098 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 -8.0242 3.9779 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3114 -7.0712 2.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9375 -8.2998 2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0128 -9.4172 1.9810 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4264 -9.4086 0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8041 -8.2323 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7604 -7.0482 0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2159 -2.8606 2.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1482 -3.3704 3.3135 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9269 -0.5548 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 -0.5145 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1499 3.1699 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2876 -3.9307 -2.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3713 -4.5418 -0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6617 -4.1583 3.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1801 -4.4215 2.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2454 -8.6783 4.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -10.3391 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1403 -8.2516 -0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0499 -6.1209 0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6843 -2.3793 2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 3 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 27 28 2 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 29 30 2 0 0 0 0 29 42 1 0 0 0 0 M END $$$$