D0OU1V Wcorina 11010620293D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 38 40 0 0 0 999 V2000 -0.0157 1.3060 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2658 -0.4581 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 2.1706 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2872 1.7480 0.0179 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8386 -1.7474 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1024 0.6698 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 3.4981 0.0102 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9775 -2.9437 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4686 1.6093 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 -1.8797 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3502 3.7768 -0.0087 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1268 4.2703 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4792 0.5093 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5612 2.4717 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2329 -2.8218 -0.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0321 -0.7571 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7013 -4.5502 -0.0041 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6422 0.2629 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9434 5.7661 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3763 1.7202 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2053 -5.5689 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5956 -7.0483 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6714 -2.8631 0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5676 2.0800 -0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 -0.8712 0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6868 -0.1262 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9081 6.1218 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7781 6.2375 -0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0114 6.0207 -0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6002 2.0104 -0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3039 1.4832 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8737 2.5428 0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3756 -5.3443 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3928 -5.3530 0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 -7.6617 -0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1765 -7.2728 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1937 -7.2641 -0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 14 1 0 0 0 0 8 13 2 0 0 0 0 9 16 2 0 0 0 0 9 18 1 0 0 0 0 10 15 1 0 0 0 0 10 19 1 0 0 0 0 11 17 1 0 0 0 0 11 24 1 0 0 0 0 12 15 2 0 0 0 0 12 13 1 0 0 0 0 13 20 1 0 0 0 0 14 17 2 0 0 0 0 14 21 1 0 0 0 0 15 25 1 0 0 0 0 17 26 1 0 0 0 0 18 22 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$