JL4 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 21 22 0 0 0 0 0 0 0 0999 V2000 3.1742 -0.5860 -0.0032 C 0 0 0 0 0 -4.2083 -1.0193 0.0018 C 0 0 0 0 0 -2.9357 -0.2135 0.0014 C 0 0 0 0 0 -1.7504 -0.7149 0.0000 N 0 0 0 0 0 -0.7323 0.1370 -0.0015 C 0 0 0 0 0 -1.1046 1.4364 -0.0007 C 0 0 0 0 0 -2.8658 1.4941 -0.0050 S 0 0 0 0 0 0.6788 -0.2967 -0.0029 C 0 0 0 0 0 1.1036 -1.5949 -0.0028 C 0 0 0 0 0 2.4613 -1.7541 -0.0034 C 0 0 0 0 0 2.0688 0.7809 -0.0026 S 0 0 0 0 0 4.5888 -0.4929 0.0009 C 0 0 0 0 0 5.2653 -1.5048 0.0059 O 0 0 0 0 0 5.1855 0.7172 0.0010 O 0 0 0 0 0 -4.5147 -1.2142 1.0299 H 0 0 0 0 0 -4.9920 -0.4618 -0.5108 H 0 0 0 0 0 -4.0395 -1.9658 -0.5123 H 0 0 0 0 0 -0.4406 2.2880 -0.0013 H 0 0 0 0 0 0.4192 -2.4311 -0.0032 H 0 0 0 0 0 2.9331 -2.7254 -0.0045 H 0 0 0 0 0 6.1513 0.6805 0.0042 H 0 0 0 0 0 1 10 2 0 0 0 1 11 1 0 0 0 1 12 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 7 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 5 8 1 0 0 0 6 7 1 0 0 0 8 9 2 0 0 0 8 11 1 0 0 0 9 10 1 0 0 0 12 13 2 0 0 0 12 14 1 0 0 0 2 15 1 0 0 0 2 16 1 0 0 0 2 17 1 0 0 0 6 18 1 0 0 0 9 19 1 0 0 0 10 20 1 0 0 0 14 21 1 0 0 0 M END $$$$