945 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 31 31 0 0 0 0 0 0 0 0999 V2000 -0.7337 -1.0984 -0.4853 C 0 0 0 0 0 0.3715 -1.3222 0.5487 C 0 0 0 0 0 1.0425 1.0765 0.3510 C 0 0 0 0 0 -1.2264 0.3481 -0.3999 C 0 0 0 0 0 -0.0631 1.2994 -0.6830 C 0 0 0 0 0 1.5353 -0.3700 0.2657 C 0 0 0 0 0 -1.8975 -2.0506 -0.2022 C 0 0 0 0 0 -1.4667 -3.3998 -0.3951 O 0 0 0 0 0 -1.7411 0.5994 0.9094 O 0 0 0 0 0 2.1290 1.9660 0.0864 O 0 0 0 0 0 2.5676 -0.5791 1.2311 O 0 0 0 0 0 0.8316 -2.6731 0.4694 O 0 0 0 0 0 -2.9311 1.5471 0.9347 S 0 0 0 0 0 -4.1397 0.7664 0.4356 O 0 0 0 0 0 -3.1815 1.8412 2.3023 O 0 0 0 0 0 -2.6694 2.5471 -0.0396 O 0 0 0 0 0 -0.3421 -1.2913 -1.4835 H 0 0 0 0 0 -0.0205 -1.1303 1.5480 H 0 0 0 0 0 0.6505 1.2685 1.3493 H 0 0 0 0 0 -2.0141 0.5073 -1.1367 H 0 0 0 0 0 -0.4140 2.3305 -0.6222 H 0 0 0 0 0 1.9273 -0.5620 -0.7326 H 0 0 0 0 0 -2.2318 -1.9203 0.8268 H 0 0 0 0 0 -2.7205 -1.8309 -0.8816 H 0 0 0 0 0 -2.1556 -4.0594 -0.2329 H 0 0 0 0 0 2.8673 1.8787 0.7045 H 0 0 0 0 0 3.3385 -0.0085 1.1133 H 0 0 0 0 0 1.5342 -2.8874 1.0980 H 0 0 0 0 0 0.4516 1.0481 -1.9923 O 0 0 0 0 0 -4.9578 1.2811 0.4118 H 0 0 0 0 0 1.1926 1.6174 -2.2400 H 0 0 0 0 0 11 6 1 0 0 0 12 2 1 0 0 0 6 2 1 0 0 0 6 3 1 0 0 0 2 1 1 0 0 0 10 3 1 0 0 0 3 5 1 0 0 0 1 7 1 0 0 0 1 4 1 0 0 0 7 8 1 0 0 0 9 4 1 0 0 0 9 13 1 0 0 0 16 13 2 0 0 0 5 4 1 0 0 0 13 15 2 0 0 0 13 14 1 0 0 0 1 17 1 0 0 0 2 18 1 0 0 0 3 19 1 0 0 0 4 20 1 0 0 0 5 21 1 0 0 0 6 22 1 0 0 0 7 23 1 0 0 0 7 24 1 0 0 0 8 25 1 0 0 0 10 26 1 0 0 0 11 27 1 0 0 0 12 28 1 0 0 0 5 29 1 0 0 0 14 30 1 0 0 0 29 31 1 0 0 0 M END $$$$