D02EFQ Wcorina 10100417203D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 42 43 0 1 0 0 0 0 0999 V2000 -5.5418 4.3070 8.6736 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 1.4168 0.0098 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 2.2101 0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 5.1000 -2.9238 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 3.0691 -2.9617 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9002 1.8797 -1.3124 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5291 3.4839 -2.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1366 3.3017 -1.5741 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7759 4.9689 -2.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 2.7019 -3.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9297 1.8941 1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0974 3.8147 -2.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 1.0183 1.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7259 3.1411 2.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3627 2.6438 3.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5601 1.3869 3.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 3.5201 3.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1307 3.0457 4.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9331 4.3027 5.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0561 2.1694 5.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6499 4.6716 6.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7679 2.5478 6.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5635 3.7952 7.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2807 3.1128 -1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0722 3.8587 -0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2609 1.2094 -1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0243 5.3400 -3.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7679 5.0987 -2.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7115 5.5259 -1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4437 1.6440 -3.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 2.8317 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 3.0730 -4.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9954 0.0445 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 3.8193 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2732 0.7024 3.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 4.4939 3.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5699 5.3828 -3.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 4.9870 5.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2163 1.1959 5.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4975 5.6457 7.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4856 1.8695 7.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 5 13 1 0 0 0 0 5 38 1 0 0 0 0 6 13 2 0 0 0 0 9 7 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$