D04XGT Wcorina 11010620253D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 31 32 0 0 0 999 V2000 -0.0162 1.3462 0.0094 N 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 1.2856 1.7689 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2071 2.1994 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2437 -0.4056 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1889 -0.8831 0.0091 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0542 0.6631 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 2.3836 1.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3052 -0.3961 0.0228 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0526 -2.0934 0.0013 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7690 3.1365 1.6936 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0821 1.8543 2.3513 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2292 3.3156 3.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4542 4.1932 3.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7111 3.6268 2.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3212 5.5642 3.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8348 4.4319 2.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4449 6.3692 3.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7016 5.8033 3.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6303 2.7924 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9622 3.1705 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9957 1.7299 -0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1339 0.6407 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2476 3.5598 0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4741 2.3445 3.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4406 3.7851 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8152 2.5554 2.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3394 6.0063 3.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8168 3.9894 2.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 7.4403 3.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5795 6.4323 3.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 20 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 M CHG 2 6 1 10 -1 M END $$$$