D07IQG Wcorina 10100417203D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 33 36 0 0 0 0 0 0 0999 V2000 -2.5915 0.2124 -1.2229 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1983 1.3048 -0.6702 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 -0.4855 0.7213 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1323 -4.2997 0.6889 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5334 -6.2437 1.4091 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2815 -0.7371 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2115 -2.1102 0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4323 -2.8663 0.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1469 -0.0250 -0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5482 0.0030 0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5793 1.3740 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0189 -2.7727 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3673 1.9633 -0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0464 -0.7155 -0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1035 -2.0752 -0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7798 2.0693 -0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3863 3.2501 -1.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2606 -5.1858 -0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6833 -4.9946 1.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7738 3.3440 -1.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5797 3.9283 -1.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8809 -6.3899 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7181 -2.5267 1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2527 -2.6862 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 -3.8368 0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0332 -2.6028 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7088 1.6125 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4644 3.7183 -1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6005 -4.9622 -1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -4.5847 2.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7006 3.8888 -1.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5848 4.9266 -1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 -7.3119 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 10 2 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 19 2 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 15 2 0 0 0 0 12 25 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 15 26 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 17 21 1 0 0 0 0 17 28 1 0 0 0 0 18 22 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 M END $$$$