CJ3 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 22 23 0 0 0 0 0 0 0 0999 V2000 1.2480 -0.8305 0.4116 B 0 0 0 0 0 -0.2363 -0.3491 0.1662 C 0 0 0 0 0 -1.2756 -1.2278 -0.0851 C 0 0 0 0 0 -2.5459 -0.7276 -0.2938 C 0 0 0 0 0 -2.7779 0.6404 -0.2535 C 0 0 0 0 0 -1.7546 1.5270 -0.0042 C 0 0 0 0 0 -0.4603 1.0456 0.2144 C 0 0 0 0 0 0.6569 1.9455 0.4928 C 0 0 0 0 0 1.8968 1.5778 0.4812 N 0 0 0 0 0 2.2947 0.2633 0.1906 N 0 0 0 0 0 3.5311 -0.0214 -0.2658 C 0 0 0 0 0 4.4238 0.9695 -0.4555 N 0 0 0 0 0 3.9654 -1.6418 -0.6039 S 0 0 0 0 0 1.5787 -2.1541 0.8063 O 0 0 0 0 0 -1.0955 -2.2918 -0.1175 H 0 0 0 0 0 -3.3640 -1.4056 -0.4894 H 0 0 0 0 0 -3.7771 1.0156 -0.4212 H 0 0 0 0 0 -1.9505 2.5888 0.0237 H 0 0 0 0 0 0.4337 2.9778 0.7187 H 0 0 0 0 0 4.1777 1.8884 -0.2639 H 0 0 0 0 0 5.3130 0.7645 -0.7847 H 0 0 0 0 0 2.5269 -2.3052 0.9191 H 0 0 0 0 0 8 9 2 0 0 0 8 7 1 0 0 0 9 10 1 0 0 0 6 7 1 0 0 0 6 5 2 0 0 0 12 11 1 0 0 0 7 2 2 0 0 0 10 11 1 0 0 0 10 1 1 0 0 0 5 4 1 0 0 0 11 13 2 0 0 0 2 1 1 0 0 0 2 3 1 0 0 0 1 14 1 0 0 0 4 3 2 0 0 0 3 15 1 0 0 0 4 16 1 0 0 0 5 17 1 0 0 0 6 18 1 0 0 0 8 19 1 0 0 0 12 20 1 0 0 0 12 21 1 0 0 0 14 22 1 0 0 0 M END $$$$