JKK Converted by convert_cif2sdf.py 2024/03/29 11:09:15 27 27 0 0 0 0 0 0 0 0999 V2000 -3.7949 1.6402 0.3713 C 0 0 0 0 0 -4.4503 0.4508 0.6307 C 0 0 0 0 0 -2.5214 1.6249 -0.1662 C 0 0 0 0 0 -2.5557 -0.7686 -0.1832 C 0 0 0 0 0 1.8462 0.3737 -0.4706 C 0 0 0 0 0 2.8458 0.3577 0.6876 C 0 0 0 0 0 -0.5112 0.4047 -1.0221 C 0 0 0 0 0 -3.8311 -0.7547 0.3536 C 0 0 0 0 0 -1.8991 0.4209 -0.4375 C 0 0 0 0 0 0.4777 0.3896 0.0640 N 0 0 0 0 0 4.8371 1.5736 -0.6055 O 0 0 0 0 0 5.4251 0.3237 1.2633 O 0 0 0 0 0 4.8060 -0.9008 -0.6130 O 0 0 0 0 0 4.5360 0.3381 0.0287 S 0 0 0 0 0 -4.6527 -2.2483 0.6803 CL 0 0 0 0 0 -4.2804 2.5817 0.5828 H 0 0 0 0 0 -5.4453 0.4632 1.0505 H 0 0 0 0 0 -2.0119 2.5542 -0.3735 H 0 0 0 0 0 -2.0702 -1.7102 -0.3957 H 0 0 0 0 0 2.0090 1.2634 -1.0781 H 0 0 0 0 0 1.9869 -0.5161 -1.0835 H 0 0 0 0 0 2.7051 1.2477 1.3015 H 0 0 0 0 0 2.6830 -0.5319 1.2961 H 0 0 0 0 0 -0.3868 -0.4850 -1.6399 H 0 0 0 0 0 -0.3647 1.2945 -1.6344 H 0 0 0 0 0 0.3426 1.1705 0.6874 H 0 0 0 0 0 6.3713 0.3123 1.0665 H 0 0 0 0 0 15 8 1 0 0 0 2 8 2 0 0 0 2 1 1 0 0 0 8 4 1 0 0 0 1 3 2 0 0 0 4 9 2 0 0 0 3 9 1 0 0 0 9 7 1 0 0 0 7 10 1 0 0 0 10 5 1 0 0 0 5 6 1 0 0 0 6 14 1 0 0 0 11 14 2 0 0 0 14 13 2 0 0 0 14 12 1 0 0 0 1 16 1 0 0 0 2 17 1 0 0 0 3 18 1 0 0 0 4 19 1 0 0 0 5 20 1 0 0 0 5 21 1 0 0 0 6 22 1 0 0 0 6 23 1 0 0 0 7 24 1 0 0 0 7 25 1 0 0 0 10 26 1 0 0 0 12 27 1 0 0 0 M END $$$$