CME Converted by convert_cif2sdf.py 2026/01/30 11:05:38 22 21 0 0 0 0 0 0 0 0999 V2000 -2.7142 1.5169 -0.0381 N 0 0 0 0 0 -1.8078 0.3641 -0.1395 C 0 0 0 0 0 -0.6131 0.5721 0.7920 C 0 0 0 0 0 0.4869 -0.8648 0.6930 S 0 0 0 0 0 1.3672 -0.5149 -1.1245 S 0 0 0 0 0 2.7947 0.4718 -0.5983 C 0 0 0 0 0 3.6567 -0.3482 0.3616 C 0 0 0 0 0 4.7821 0.4285 0.7762 O 0 0 0 0 0 -2.5441 -0.8884 0.2566 C 0 0 0 0 0 -3.4416 -0.8321 1.0634 O 0 0 0 0 0 -2.2021 -2.0678 -0.2852 O 0 0 0 0 0 -2.1790 2.3304 -0.3020 H 0 0 0 0 0 -2.9401 1.6231 0.9383 H 0 0 0 0 0 -1.4551 0.2693 -1.1664 H 0 0 0 0 0 -0.0689 1.4672 0.4921 H 0 0 0 0 0 -0.9674 0.6882 1.8168 H 0 0 0 0 0 3.3864 0.7496 -1.4706 H 0 0 0 0 0 2.4470 1.3734 -0.0933 H 0 0 0 0 0 3.0661 -0.6259 1.2338 H 0 0 0 0 0 4.0056 -1.2498 -0.1424 H 0 0 0 0 0 5.2977 -0.1235 1.3786 H 0 0 0 0 0 -2.6741 -2.8722 -0.0300 H 0 0 0 0 0 1 2 1 0 0 0 1 12 1 0 0 0 1 13 1 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 2 14 1 0 0 0 3 4 1 0 0 0 3 15 1 0 0 0 3 16 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 6 17 1 0 0 0 6 18 1 0 0 0 7 8 1 0 0 0 7 19 1 0 0 0 7 20 1 0 0 0 8 21 1 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 11 22 1 0 0 0 M END $$$$