C8Q Converted by convert_cif2sdf.py 2024/03/29 11:09:15 43 46 0 0 0 0 0 0 0 0999 V2000 0.5452 0.4682 -1.2998 C 0 0 0 0 0 5.1993 -2.6785 1.5793 O 0 0 0 0 0 4.1336 -2.0456 1.0637 C 0 0 0 0 0 3.0228 -2.3179 1.4517 O 0 0 0 0 0 4.3241 -0.9942 0.0009 C 0 0 0 0 0 5.1641 0.1426 0.5778 C 0 0 0 0 0 4.1010 1.6083 0.4197 S 0 0 0 0 0 2.7266 0.7686 -0.3168 C 0 0 0 0 0 1.5098 1.2948 -0.7313 C 0 0 0 0 0 1.2593 2.6253 -0.5810 O 0 0 0 0 0 2.2916 3.4172 0.0097 C 0 0 0 0 0 -0.7793 1.0254 -1.7540 C 0 0 0 0 0 -1.7295 1.0787 -0.5851 C 0 0 0 0 0 -1.8396 2.2145 0.1559 C 0 0 0 0 0 -2.7131 2.2831 1.2402 C 0 0 0 0 0 -3.4806 1.2155 1.5894 C 0 0 0 0 0 -3.3945 0.0239 0.8479 C 0 0 0 0 0 -4.1754 -1.0972 1.1746 C 0 0 0 0 0 -4.0730 -2.2299 0.4273 C 0 0 0 0 0 -3.2034 -2.2965 -0.6592 C 0 0 0 0 0 -2.4310 -1.2300 -1.0052 C 0 0 0 0 0 -2.5105 -0.0435 -0.2583 C 0 0 0 0 0 0.8339 -0.8750 -1.4427 C 0 0 0 0 0 2.0647 -1.3635 -1.0210 C 0 0 0 0 0 2.3083 -2.5542 -1.1538 O 0 0 0 0 0 3.0107 -0.5495 -0.4641 N 0 0 0 0 0 5.0266 -3.3457 2.2586 H 0 0 0 0 0 4.8626 -1.4357 -0.8374 H 0 0 0 0 0 5.3962 -0.0484 1.6257 H 0 0 0 0 0 6.0787 0.2715 0.0006 H 0 0 0 0 0 3.1916 3.3556 -0.6018 H 0 0 0 0 0 1.9640 4.4544 0.0709 H 0 0 0 0 0 2.5068 3.0442 1.0119 H 0 0 0 0 0 -0.6343 2.0308 -2.1492 H 0 0 0 0 0 -1.1954 0.3852 -2.5318 H 0 0 0 0 0 -1.2415 3.0766 -0.1003 H 0 0 0 0 0 -2.7807 3.1961 1.8116 H 0 0 0 0 0 -4.1527 1.2826 2.4321 H 0 0 0 0 0 -4.8531 -1.0601 2.0148 H 0 0 0 0 0 -4.6740 -3.0911 0.6804 H 0 0 0 0 0 -3.1406 -3.2085 -1.2357 H 0 0 0 0 0 -1.7618 -1.2960 -1.8500 H 0 0 0 0 0 0.1066 -1.5424 -1.8802 H 0 0 0 0 0 19 20 2 0 0 0 19 18 1 0 0 0 20 21 1 0 0 0 18 17 2 0 0 0 21 22 2 0 0 0 17 22 1 0 0 0 17 16 1 0 0 0 22 13 1 0 0 0 16 15 2 0 0 0 25 24 2 0 0 0 23 24 1 0 0 0 23 1 2 0 0 0 13 12 1 0 0 0 13 14 2 0 0 0 24 26 1 0 0 0 15 14 1 0 0 0 12 1 1 0 0 0 1 9 1 0 0 0 26 5 1 0 0 0 26 8 1 0 0 0 5 3 1 0 0 0 5 6 1 0 0 0 9 8 2 0 0 0 9 10 1 0 0 0 8 7 1 0 0 0 3 4 2 0 0 0 3 2 1 0 0 0 6 7 1 0 0 0 10 11 1 0 0 0 2 27 1 0 0 0 5 28 1 0 0 0 6 29 1 0 0 0 6 30 1 0 0 0 11 31 1 0 0 0 11 32 1 0 0 0 11 33 1 0 0 0 12 34 1 0 0 0 12 35 1 0 0 0 14 36 1 0 0 0 15 37 1 0 0 0 16 38 1 0 0 0 18 39 1 0 0 0 19 40 1 0 0 0 20 41 1 0 0 0 21 42 1 0 0 0 23 43 1 0 0 0 M END $$$$