D0X6MO Wcorina 11010620313D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 32 33 0 0 0 999 V2000 -0.0256 1.3764 0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0154 0.0090 0.2194 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0635 2.1914 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7132 1.8965 0.3664 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1459 -0.6674 0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9006 3.5855 0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8064 5.7758 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9762 4.3904 0.0068 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 0.1999 0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 6.3661 -1.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1903 -1.8791 0.3407 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2139 4.0683 0.2194 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 6.5635 1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2552 -0.7105 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5275 5.3855 -2.7602 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4696 8.5162 -0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 7.7351 -1.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6807 7.9307 0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0785 5.9269 2.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0508 1.7637 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8681 4.0092 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8883 0.0257 1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0521 0.0174 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 -0.8841 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0863 -1.6666 -0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9557 -0.1161 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3383 9.5857 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 8.1949 -2.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 8.5440 1.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1481 5.8895 2.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 6.5158 3.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6734 4.9150 2.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 6 1 0 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 5 11 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 13 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END $$$$