D0X1BJ Wcorina 11010620233D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 46 48 0 1 0 999 V2000 -0.5428 0.1638 0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 0.0860 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -0.4723 1.5417 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 0.8133 0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -0.6106 -0.4587 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6646 0.6553 -1.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 -0.9273 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 1.3727 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8674 1.2985 -1.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4055 -1.6264 1.3997 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 2.1924 0.0565 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -2.0486 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1339 0.8829 -0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4436 -2.7284 1.1259 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 -1.8158 -0.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4783 1.1231 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7141 -0.3888 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4854 -3.1521 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3953 0.0971 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6319 -1.4142 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9745 -1.1751 -0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9058 -2.2165 -0.4056 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5448 -3.4782 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5088 -4.6141 -0.3259 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4440 -3.6995 0.3601 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7754 -4.3809 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8821 -5.8777 0.0849 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1931 0.8784 1.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8132 -0.8317 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2432 0.5952 -2.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3861 1.7414 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4325 -1.8123 2.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8055 2.1123 0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -0.5749 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2590 -3.6877 0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0572 -3.8090 -0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9221 -2.2777 -0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4402 0.2837 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3057 -2.4026 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8103 -2.0292 -0.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7685 -4.6643 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4727 -5.2024 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5156 -4.3307 1.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2404 -3.4433 0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5737 -5.8331 1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5090 -6.6553 -0.0577 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 2 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 4 28 1 0 0 0 0 5 7 1 0 0 0 0 5 29 1 0 0 0 0 6 9 1 0 0 0 0 6 30 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 9 2 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$