D00PWQ Wcorina 10100417233D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 31 34 0 0 0 0 0 0 0999 V2000 5.8699 2.4715 -0.0399 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8526 -2.9797 2.1069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 1.3773 0.0096 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2052 -2.5625 1.4664 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2867 -0.4372 0.0028 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 2.1358 0.7338 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7059 -1.8867 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2635 1.8538 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -0.8842 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2234 -2.1068 0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 -2.5112 1.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5261 0.8951 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7749 3.1497 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2961 -0.4635 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3516 -2.9174 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.1841 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1532 3.2807 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4102 -1.2671 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4307 -2.5011 -0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3317 -2.3969 -0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7931 -1.9564 0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 1.9253 0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1938 0.0463 -0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4884 -2.9752 2.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1258 4.0128 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2799 0.4971 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3789 -3.8816 0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 4.2716 -0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2663 -0.9350 -1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 -3.1399 -0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 12 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 13 17 2 0 0 0 0 13 24 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 M END $$$$