J8S Converted by convert_cif2sdf.py 2024/03/29 11:09:15 50 52 0 0 0 0 0 0 0 0999 V2000 5.1468 0.8725 0.2694 C 0 0 0 0 0 5.5876 -0.4317 0.0767 C 0 0 0 0 0 7.2602 -2.6730 0.2082 C 0 0 0 0 0 4.7939 -1.3458 -0.6161 C 0 0 0 0 0 3.1198 0.3393 -0.9195 C 0 0 0 0 0 -0.2721 -0.8313 0.9313 C 0 0 0 0 0 -2.7032 -0.4552 1.3710 C 0 0 0 0 0 -6.0529 -1.5189 -0.0053 C 0 0 0 0 0 -6.5830 -0.3079 -0.4094 C 0 0 0 0 0 -5.8576 0.8558 -0.2361 C 0 0 0 0 0 -1.6252 0.5685 -0.6369 C 0 0 0 0 0 4.3408 3.4166 0.6849 C 0 0 0 0 0 1.8062 0.7447 -1.4465 C 0 0 0 0 0 0.7766 -1.0655 -0.1604 C 0 0 0 0 0 -1.6468 -0.6550 0.2823 C 0 0 0 0 0 -4.0708 -0.4037 0.7405 C 0 0 0 0 0 -4.7982 -1.5664 0.5721 C 0 0 0 0 0 -4.6030 0.8086 0.3422 C 0 0 0 0 0 -0.5907 0.3509 -1.7465 C 0 0 0 0 0 3.9143 1.2635 -0.2227 C 0 0 0 0 0 3.5796 -0.9685 -1.1104 C 0 0 0 0 0 0.7051 0.0362 -1.1294 N 0 0 0 0 0 1.7159 1.7198 -2.1688 O 0 0 0 0 0 3.4768 2.5334 -0.0330 O 0 0 0 0 0 7.1539 -0.9321 0.7091 S 0 0 0 0 0 5.7641 1.5780 0.8060 H 0 0 0 0 0 7.2055 -2.7415 -0.8784 H 0 0 0 0 0 8.2049 -3.0929 0.5517 H 0 0 0 0 0 6.4330 -3.2289 0.6496 H 0 0 0 0 0 5.1423 -2.3578 -0.7629 H 0 0 0 0 0 -0.2948 -1.6891 1.6039 H 0 0 0 0 0 -0.0174 0.0661 1.4950 H 0 0 0 0 0 -2.6591 -1.2850 2.0766 H 0 0 0 0 0 -2.5098 0.4798 1.8980 H 0 0 0 0 0 -6.6214 -2.4282 -0.1374 H 0 0 0 0 0 -7.5635 -0.2711 -0.8604 H 0 0 0 0 0 -6.2716 1.8024 -0.5520 H 0 0 0 0 0 -2.6105 0.7079 -1.0812 H 0 0 0 0 0 -1.3584 1.4536 -0.0594 H 0 0 0 0 0 4.5214 3.0172 1.6824 H 0 0 0 0 0 5.2878 3.5105 0.1530 H 0 0 0 0 0 3.8716 4.3971 0.7656 H 0 0 0 0 0 1.7700 -1.0935 0.2878 H 0 0 0 0 0 0.5753 -2.0110 -0.6646 H 0 0 0 0 0 -1.8896 -1.5430 -0.3007 H 0 0 0 0 0 -4.3863 -2.5121 0.8919 H 0 0 0 0 0 -4.0365 1.7174 0.4775 H 0 0 0 0 0 -0.9050 -0.4790 -2.3798 H 0 0 0 0 0 -0.5024 1.2564 -2.3463 H 0 0 0 0 0 2.9703 -1.6809 -1.6465 H 0 0 0 0 0 23 13 2 0 0 0 13 5 1 0 0 0 13 22 1 0 0 0 21 4 2 0 0 0 21 5 1 0 0 0 4 2 1 0 0 0 5 20 2 0 0 0 14 22 1 0 0 0 14 6 1 0 0 0 2 1 2 0 0 0 2 25 1 0 0 0 20 24 1 0 0 0 20 1 1 0 0 0 22 19 1 0 0 0 24 12 1 0 0 0 25 3 1 0 0 0 6 15 1 0 0 0 19 11 1 0 0 0 10 18 2 0 0 0 10 9 1 0 0 0 15 11 1 0 0 0 15 7 1 0 0 0 18 16 1 0 0 0 9 8 2 0 0 0 16 7 1 0 0 0 16 17 2 0 0 0 8 17 1 0 0 0 1 26 1 0 0 0 3 27 1 0 0 0 3 28 1 0 0 0 3 29 1 0 0 0 4 30 1 0 0 0 6 31 1 0 0 0 6 32 1 0 0 0 7 33 1 0 0 0 7 34 1 0 0 0 8 35 1 0 0 0 9 36 1 0 0 0 10 37 1 0 0 0 11 38 1 0 0 0 11 39 1 0 0 0 12 40 1 0 0 0 12 41 1 0 0 0 12 42 1 0 0 0 14 43 1 0 0 0 14 44 1 0 0 0 15 45 1 0 0 0 17 46 1 0 0 0 18 47 1 0 0 0 19 48 1 0 0 0 19 49 1 0 0 0 21 50 1 0 0 0 M END $$$$