C1S Converted by convert_cif2sdf.py 2024/03/29 11:09:15 22 21 0 0 0 0 0 0 0 0999 V2000 3.1585 -1.1266 1.4314 O 0 0 0 0 0 3.0934 -0.2261 0.6284 C 0 0 0 0 0 1.9333 -0.1554 -0.3314 C 0 0 0 0 0 1.3026 -1.4773 -0.4363 N 0 0 0 0 0 0.9094 0.8594 0.1804 C 0 0 0 0 0 -0.4859 0.9451 -0.9757 S 0 0 0 0 0 -1.4147 -0.8641 -0.7131 S 0 0 0 0 0 -2.4983 -0.5633 0.7096 C 0 0 0 0 0 -3.6179 0.3598 0.3023 C 0 0 0 0 0 -4.8556 -0.0691 0.3051 C 0 0 0 0 0 4.0507 0.7147 0.5960 O 0 0 0 0 0 2.2933 0.1546 -1.3132 H 0 0 0 0 0 1.9404 -2.1518 -0.8328 H 0 0 0 0 0 0.9613 -1.7872 0.4614 H 0 0 0 0 0 0.5495 0.5500 1.1609 H 0 0 0 0 0 1.3772 1.8407 0.2579 H 0 0 0 0 0 -2.9155 -1.5089 1.0558 H 0 0 0 0 0 -1.9234 -0.1042 1.5143 H 0 0 0 0 0 -3.3995 1.3764 0.0082 H 0 0 0 0 0 -5.0730 -1.0857 0.5993 H 0 0 0 0 0 -5.6574 0.5921 0.0130 H 0 0 0 0 0 4.7717 0.6286 1.2345 H 0 0 0 0 0 10 9 2 0 0 0 9 8 1 0 0 0 8 7 1 0 0 0 7 6 1 0 0 0 6 5 1 0 0 0 5 3 1 0 0 0 4 3 1 0 0 0 1 2 2 0 0 0 3 2 1 0 0 0 2 11 1 0 0 0 3 12 1 0 0 0 4 13 1 0 0 0 4 14 1 0 0 0 5 15 1 0 0 0 5 16 1 0 0 0 8 17 1 0 0 0 8 18 1 0 0 0 9 19 1 0 0 0 10 20 1 0 0 0 10 21 1 0 0 0 11 22 1 0 0 0 M END $$$$