D0CA6J Wcorina 10100417263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 36 38 0 1 0 0 0 0 0999 V2000 4.1869 -6.0765 1.1379 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.8078 -3.7736 2.7307 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 -1.0242 0.0100 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0218 1.7546 0.0117 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 -2.0404 -0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3238 -3.8950 -2.1387 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3986 -4.5787 -2.8334 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -3.3973 -0.0495 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6402 -3.8738 -1.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8267 -3.4920 0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -1.8981 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2238 -4.6867 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 -2.3866 0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 -2.8650 -2.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 -0.4344 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4646 -4.9363 -2.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4473 -4.7736 1.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8768 -2.4727 1.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2727 -3.6657 1.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -3.3103 -3.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2222 0.5670 -0.0161 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 1.7361 1.8086 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7679 -4.0242 0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 -4.8771 -1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 -3.1941 -2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 -2.3684 -0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2198 -2.3780 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3462 -1.4554 0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1558 -1.8836 -2.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 -5.9047 -1.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7576 -5.7059 2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5231 -1.6088 1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1825 -2.7453 -3.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2818 0.3581 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3311 2.7100 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 19 1 0 0 0 0 3 22 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 16 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 29 1 0 0 0 0 14 20 2 0 0 0 0 14 30 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$