C4K Converted by convert_cif2sdf.py 2024/03/29 11:09:15 52 56 0 0 0 0 0 0 0 0999 V2000 0.2789 2.0223 0.0079 C 0 0 0 0 0 -0.0921 3.1711 0.7342 C 0 0 0 0 0 -1.4210 3.5054 0.8761 C 0 0 0 0 0 0.8645 3.9515 1.2962 O 0 0 0 0 0 -2.0420 1.5560 -0.4267 C 0 0 0 0 0 -2.4078 2.7073 0.3017 C 0 0 0 0 0 -3.2895 0.9526 -0.8899 C 0 0 0 0 0 -3.4178 -0.3033 -1.7136 C 0 0 0 0 0 -3.5277 -1.4952 -0.7993 C 0 0 0 0 0 -4.7693 -1.9259 -0.3715 C 0 0 0 0 0 -3.7294 -3.6835 0.8792 C 0 0 0 0 0 -2.3862 -2.1616 -0.3919 C 0 0 0 0 0 -1.2433 -3.9790 0.8955 C 0 0 0 0 0 5.7392 0.7059 0.0164 C 0 0 0 0 0 4.3973 1.0327 0.0170 C 0 0 0 0 0 3.8339 -1.2648 -0.4129 C 0 0 0 0 0 2.0808 0.3824 -0.1941 N 0 0 0 0 0 6.1361 -0.6038 -0.1993 C 0 0 0 0 0 7.1480 -2.5932 -0.0760 C 0 0 0 0 0 -0.6963 1.2177 -0.5699 C 0 0 0 0 0 1.7032 1.6756 -0.1433 C 0 0 0 0 0 2.5387 2.5558 -0.2238 O 0 0 0 0 0 -3.7746 2.7764 0.2687 N 0 0 0 0 0 -4.2713 1.6934 -0.4637 N 0 0 0 0 0 -2.4870 -3.2557 0.4473 C 0 0 0 0 0 -4.8701 -3.0201 0.4687 C 0 0 0 0 0 3.4413 0.0495 -0.1970 C 0 0 0 0 0 1.0679 -0.6751 -0.2466 C 0 0 0 0 0 5.1787 -1.5940 -0.4096 C 0 0 0 0 0 5.8174 -2.7863 -0.5925 O 0 0 0 0 0 7.3745 -1.1758 -0.2552 O 0 0 0 0 0 -1.6986 4.3877 1.4345 H 0 0 0 0 0 1.1844 4.6596 0.7194 H 0 0 0 0 0 -4.3094 -0.2399 -2.3372 H 0 0 0 0 0 -2.5385 -0.4117 -2.3489 H 0 0 0 0 0 -5.6604 -1.4086 -0.6930 H 0 0 0 0 0 -3.8077 -4.5379 1.5360 H 0 0 0 0 0 -1.4170 -1.8274 -0.7293 H 0 0 0 0 0 -1.0123 -4.7762 0.1890 H 0 0 0 0 0 -0.4102 -3.2771 0.9358 H 0 0 0 0 0 -1.4076 -4.4056 1.8841 H 0 0 0 0 0 6.4814 1.4735 0.1783 H 0 0 0 0 0 4.0909 2.0550 0.1861 H 0 0 0 0 0 3.0908 -2.0314 -0.5757 H 0 0 0 0 0 7.1944 -2.8747 0.9759 H 0 0 0 0 0 7.8708 -3.1656 -0.6571 H 0 0 0 0 0 -0.4146 0.3371 -1.1272 H 0 0 0 0 0 -4.3127 3.4656 0.6871 H 0 0 0 0 0 -5.8403 -3.3542 0.8062 H 0 0 0 0 0 0.9010 -0.9675 -1.2823 H 0 0 0 0 0 1.4139 -1.5376 0.3233 H 0 0 0 0 0 0.1359 -0.3063 0.1817 H 0 0 0 0 0 28 17 1 0 0 0 22 21 2 0 0 0 17 21 1 0 0 0 17 27 1 0 0 0 21 1 1 0 0 0 11 26 2 0 0 0 11 25 1 0 0 0 26 10 1 0 0 0 15 27 2 0 0 0 15 14 1 0 0 0 27 16 1 0 0 0 1 20 2 0 0 0 1 2 1 0 0 0 13 25 1 0 0 0 4 2 1 0 0 0 25 12 2 0 0 0 14 18 2 0 0 0 10 9 2 0 0 0 20 5 1 0 0 0 2 3 2 0 0 0 16 29 2 0 0 0 12 9 1 0 0 0 9 8 1 0 0 0 18 29 1 0 0 0 18 31 1 0 0 0 29 30 1 0 0 0 5 6 2 0 0 0 5 7 1 0 0 0 3 6 1 0 0 0 31 19 1 0 0 0 6 23 1 0 0 0 8 7 1 0 0 0 7 24 2 0 0 0 30 19 1 0 0 0 23 24 1 0 0 0 3 32 1 0 0 0 4 33 1 0 0 0 8 34 1 0 0 0 8 35 1 0 0 0 10 36 1 0 0 0 11 37 1 0 0 0 12 38 1 0 0 0 13 39 1 0 0 0 13 40 1 0 0 0 13 41 1 0 0 0 14 42 1 0 0 0 15 43 1 0 0 0 16 44 1 0 0 0 19 45 1 0 0 0 19 46 1 0 0 0 20 47 1 0 0 0 23 48 1 0 0 0 26 49 1 0 0 0 28 50 1 0 0 0 28 51 1 0 0 0 28 52 1 0 0 0 M END $$$$