CIE Converted by convert_cif2sdf.py 2024/03/01 05:07:52 42 43 0 0 0 0 0 0 0 0999 V2000 3.3071 1.1627 0.3126 C 0 0 0 0 0 2.7234 2.0988 1.1672 C 0 0 0 0 0 2.7379 3.4372 0.8328 C 0 0 0 0 0 3.3176 3.8513 -0.3513 C 0 0 0 0 0 3.8931 2.9278 -1.2075 C 0 0 0 0 0 3.8913 1.5877 -0.8820 C 0 0 0 0 0 3.3009 -0.2702 0.6666 C 0 0 0 0 0 2.6953 -0.6511 1.6477 O 0 0 0 0 0 3.9676 -1.1566 -0.0984 O 0 0 0 0 0 3.8699 -2.5778 0.1832 C 0 0 0 0 0 4.8091 -3.3471 -0.7481 C 0 0 0 0 0 1.9831 1.5738 2.6783 S 0 0 0 0 0 2.9714 0.7983 3.3424 O 0 0 0 0 0 1.3421 2.7229 3.2137 O 0 0 0 0 0 0.7669 0.5189 2.2928 N 0 0 0 0 0 -0.2992 0.9489 1.5907 C 0 0 0 0 0 -0.3253 2.0827 1.1570 O 0 0 0 0 0 -1.3386 0.1191 1.3700 N 0 0 0 0 0 -3.4437 -0.2627 0.4222 N 0 0 0 0 0 -2.3781 0.5152 0.5381 C 0 0 0 0 0 -2.2773 1.6571 -0.1216 N 0 0 0 0 0 -3.2489 2.0677 -0.9242 C 0 0 0 0 0 -3.1025 3.5678 -1.7847 CL 0 0 0 0 0 -4.3820 1.2854 -1.0683 C 0 0 0 0 0 -4.4579 0.0894 -0.3596 C 0 0 0 0 0 -5.5478 -0.7074 -0.4706 O 0 0 0 0 0 -5.3184 -1.8414 0.3688 C 0 0 0 0 0 2.2899 4.1632 1.4960 H 0 0 0 0 0 3.3214 4.8999 -0.6109 H 0 0 0 0 0 4.3456 3.2583 -2.1310 H 0 0 0 0 0 4.3416 0.8681 -1.5505 H 0 0 0 0 0 2.8444 -2.9106 0.0222 H 0 0 0 0 0 4.1538 -2.7627 1.2189 H 0 0 0 0 0 4.8020 -4.4036 -0.4781 H 0 0 0 0 0 4.4724 -3.2334 -1.7787 H 0 0 0 0 0 5.8206 -2.9541 -0.6502 H 0 0 0 0 0 0.8227 -0.4076 2.5721 H 0 0 0 0 0 -1.3611 -0.7536 1.7919 H 0 0 0 0 0 -5.1892 1.5953 -1.7156 H 0 0 0 0 0 -6.1735 -2.5140 0.3115 H 0 0 0 0 0 -4.4216 -2.3633 0.0371 H 0 0 0 0 0 -5.1860 -1.5086 1.3978 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 7 1 0 0 0 2 3 1 0 0 0 2 12 1 0 0 0 3 4 2 0 0 0 3 28 1 0 0 0 4 5 1 0 0 0 4 29 1 0 0 0 5 6 2 0 0 0 5 30 1 0 0 0 6 31 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 10 32 1 0 0 0 10 33 1 0 0 0 11 34 1 0 0 0 11 35 1 0 0 0 11 36 1 0 0 0 12 13 2 0 0 0 12 14 2 0 0 0 12 15 1 0 0 0 15 16 1 0 0 0 15 37 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 18 20 1 0 0 0 18 38 1 0 0 0 19 20 1 0 0 0 19 25 2 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 22 24 2 0 0 0 24 25 1 0 0 0 24 39 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 40 1 0 0 0 27 41 1 0 0 0 27 42 1 0 0 0 M END $$$$