JMJ Converted by convert_cif2sdf.py 2024/03/29 11:09:15 22 23 0 0 0 0 0 0 0 0999 V2000 -4.5424 0.8469 -0.0038 C 0 0 0 0 0 6.2931 0.7565 0.0008 C 0 0 0 0 0 5.4916 -0.8714 -0.0030 S 0 0 0 0 0 3.7768 -0.4685 -0.0016 C 0 0 0 0 0 3.2855 0.7320 0.0020 N 0 0 0 0 0 1.9100 0.8136 0.0024 N 0 0 0 0 0 1.2827 -0.3205 0.0001 C 0 0 0 0 0 2.4556 -1.6325 -0.0109 S 0 0 0 0 0 -0.1009 -0.4752 0.0008 N 0 0 0 0 0 -0.9005 0.6097 0.0031 C 0 0 0 0 0 -0.4126 1.7248 0.0054 O 0 0 0 0 0 -2.3573 0.4468 0.0038 C 0 0 0 0 0 -3.2777 1.4548 -0.0031 C 0 0 0 0 0 -4.3420 -0.4889 0.0022 C 0 0 0 0 0 -3.0235 -0.7268 0.0014 O 0 0 0 0 0 -5.4972 1.3518 -0.0031 H 0 0 0 0 0 7.3748 0.6283 0.0002 H 0 0 0 0 0 5.9916 1.3119 -0.8876 H 0 0 0 0 0 5.9928 1.3065 0.8924 H 0 0 0 0 0 -0.4891 -1.3637 -0.0008 H 0 0 0 0 0 -3.0721 2.5152 -0.0069 H 0 0 0 0 0 -5.1161 -1.2415 0.0071 H 0 0 0 0 0 8 7 1 0 0 0 8 4 1 0 0 0 9 7 1 0 0 0 9 10 1 0 0 0 7 6 2 0 0 0 3 4 1 0 0 0 3 2 1 0 0 0 4 5 2 0 0 0 13 12 2 0 0 0 13 1 1 0 0 0 10 12 1 0 0 0 10 11 2 0 0 0 12 15 1 0 0 0 1 14 2 0 0 0 6 5 1 0 0 0 15 14 1 0 0 0 1 16 1 0 0 0 2 17 1 0 0 0 2 18 1 0 0 0 2 19 1 0 0 0 9 20 1 0 0 0 13 21 1 0 0 0 14 22 1 0 0 0 M END $$$$