2BQ Converted by convert_cif2sdf.py 2024/03/29 11:09:15 28 28 0 0 0 0 0 0 0 0999 V2000 5.4181 1.0250 -0.0174 CL 0 0 0 0 0 3.7430 0.5820 0.0862 C 0 0 0 0 0 2.7806 1.3641 -0.5270 C 0 0 0 0 0 3.3695 -0.5576 0.7774 C 0 0 0 0 0 2.0363 -0.9099 0.8582 C 0 0 0 0 0 1.0748 -0.1257 0.2490 C 0 0 0 0 0 1.4474 1.0109 -0.4451 C 0 0 0 0 0 -0.3793 -0.5107 0.3380 C 0 0 0 0 0 -0.6133 -1.2076 1.5629 O 0 0 0 0 0 -0.7394 -1.4174 -0.8416 C 0 0 0 0 0 0.1400 -2.5951 -0.8396 N 0 0 0 0 0 -1.2448 0.7497 0.2943 C 0 0 0 0 0 -2.9974 0.2798 0.2966 S 0 0 0 0 0 -3.7443 1.6017 0.4024 O 0 0 0 0 0 -3.3774 -0.2364 -0.9711 O 0 0 0 0 0 -3.3284 -0.4054 1.4962 O 0 0 0 0 0 3.0716 2.2520 -1.0700 H 0 0 0 0 0 4.1209 -1.1712 1.2525 H 0 0 0 0 0 1.7443 -1.7998 1.3983 H 0 0 0 0 0 0.6961 1.6235 -0.9203 H 0 0 0 0 0 -0.4068 -0.6916 2.3546 H 0 0 0 0 0 -1.7766 -1.7391 -0.7493 H 0 0 0 0 0 -0.6098 -0.8689 -1.7740 H 0 0 0 0 0 0.0209 -3.1328 0.0063 H 0 0 0 0 0 -0.0183 -3.1649 -1.6560 H 0 0 0 0 0 -1.0330 1.3662 1.1674 H 0 0 0 0 0 -1.0212 1.3133 -0.6112 H 0 0 0 0 0 -4.7073 1.5100 0.4152 H 0 0 0 0 0 11 10 1 0 0 0 10 8 1 0 0 0 9 8 1 0 0 0 8 12 1 0 0 0 8 6 1 0 0 0 12 13 1 0 0 0 15 13 2 0 0 0 6 5 2 0 0 0 6 7 1 0 0 0 5 4 1 0 0 0 13 16 2 0 0 0 13 14 1 0 0 0 7 3 2 0 0 0 4 2 2 0 0 0 3 2 1 0 0 0 2 1 1 0 0 0 3 17 1 0 0 0 4 18 1 0 0 0 5 19 1 0 0 0 7 20 1 0 0 0 9 21 1 0 0 0 10 22 1 0 0 0 10 23 1 0 0 0 11 24 1 0 0 0 11 25 1 0 0 0 12 26 1 0 0 0 12 27 1 0 0 0 14 28 1 0 0 0 M END $$$$