JR7 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 28 29 0 0 0 0 0 0 0 0999 V2000 -5.5585 0.5571 0.0031 C 0 0 0 0 0 -1.9270 -0.4029 0.0030 C 0 0 0 0 0 0.2738 -0.7946 -0.0054 C 0 0 0 0 0 -0.0924 -2.0888 -0.0039 C 0 0 0 0 0 -4.3553 -1.4728 -0.0052 O 0 0 0 0 0 -4.2938 -0.2613 0.0012 C 0 0 0 0 0 -6.7704 -0.3766 -0.0030 C 0 0 0 0 0 -3.0939 0.3521 0.0049 N 0 0 0 0 0 -1.8533 -2.1617 -0.0050 S 0 0 0 0 0 -0.7234 0.0791 0.0026 N 0 0 0 0 0 1.6966 -0.3735 -0.0039 C 0 0 0 0 0 2.0248 0.9808 -0.0054 C 0 0 0 0 0 3.3499 1.3668 -0.0040 C 0 0 0 0 0 4.3514 0.4110 -0.0010 C 0 0 0 0 0 6.0166 0.9038 0.0015 CL 0 0 0 0 0 4.0303 -0.9355 0.0014 C 0 0 0 0 0 2.7084 -1.3321 0.0060 C 0 0 0 0 0 -5.5858 1.1820 0.8958 H 0 0 0 0 0 -5.5835 1.1903 -0.8842 H 0 0 0 0 0 0.5758 -2.9363 -0.0078 H 0 0 0 0 0 -6.7464 -1.0099 0.8843 H 0 0 0 0 0 -7.6856 0.2155 -0.0013 H 0 0 0 0 0 -6.7432 -1.0005 -0.8957 H 0 0 0 0 0 -3.0442 1.3207 0.0100 H 0 0 0 0 0 1.2433 1.7269 -0.0086 H 0 0 0 0 0 3.6049 2.4160 -0.0058 H 0 0 0 0 0 4.8162 -1.6760 0.0086 H 0 0 0 0 0 2.4596 -2.3826 0.0068 H 0 0 0 0 0 16 17 2 0 0 0 16 14 1 0 0 0 15 14 1 0 0 0 17 11 1 0 0 0 14 13 2 0 0 0 1 7 1 0 0 0 1 6 1 0 0 0 10 2 2 0 0 0 10 3 1 0 0 0 8 2 1 0 0 0 8 6 1 0 0 0 11 3 1 0 0 0 11 12 2 0 0 0 13 12 1 0 0 0 2 9 1 0 0 0 6 5 2 0 0 0 3 4 2 0 0 0 4 9 1 0 0 0 1 18 1 0 0 0 1 19 1 0 0 0 4 20 1 0 0 0 7 21 1 0 0 0 7 22 1 0 0 0 7 23 1 0 0 0 8 24 1 0 0 0 12 25 1 0 0 0 13 26 1 0 0 0 16 27 1 0 0 0 17 28 1 0 0 0 M END $$$$