JJJ Converted by convert_cif2sdf.py 2024/03/29 11:09:15 25 25 0 0 0 0 0 0 0 0999 V2000 -4.4290 0.3414 0.0911 C 0 0 0 0 0 -3.2000 -1.6330 -0.6118 N 0 0 0 0 0 -5.0404 0.2521 -0.9467 O 0 0 0 0 0 3.8579 -1.4294 0.4913 N 0 0 0 0 0 2.5855 -1.0997 0.4150 C 0 0 0 0 0 2.2070 0.1933 0.0539 C 0 0 0 0 0 3.2041 1.1365 -0.2247 C 0 0 0 0 0 4.5271 0.7399 -0.1289 C 0 0 0 0 0 4.8183 -0.5621 0.2354 C 0 0 0 0 0 0.7789 0.5625 -0.0332 C 0 0 0 0 0 0.4607 1.6931 -0.3487 O 0 0 0 0 0 -3.1914 -0.4909 0.3119 C 0 0 0 0 0 -1.9492 0.3643 0.0554 C 0 0 0 0 0 -0.4634 -0.6363 0.3196 S 0 0 0 0 0 -4.8473 1.1869 1.0472 O 0 0 0 0 0 -3.2138 -1.3215 -1.5718 H 0 0 0 0 0 -2.4141 -2.2417 -0.4406 H 0 0 0 0 0 1.8278 -1.8388 0.6324 H 0 0 0 0 0 2.9477 2.1464 -0.5073 H 0 0 0 0 0 5.3225 1.4402 -0.3361 H 0 0 0 0 0 5.8501 -0.8742 0.3107 H 0 0 0 0 0 -3.1773 -0.8548 1.3391 H 0 0 0 0 0 -1.9644 0.7282 -0.9719 H 0 0 0 0 0 -1.9432 1.2114 0.7410 H 0 0 0 0 0 -5.6439 1.7022 0.8587 H 0 0 0 0 0 1 3 2 0 0 0 1 15 1 0 0 0 2 16 1 0 0 0 2 17 1 0 0 0 4 9 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 5 18 1 0 0 0 6 7 1 0 0 0 6 10 1 0 0 0 7 19 1 0 0 0 8 7 2 0 0 0 8 20 1 0 0 0 9 8 1 0 0 0 9 21 1 0 0 0 10 14 1 0 0 0 11 10 2 0 0 0 12 1 1 0 0 0 12 2 1 0 0 0 12 22 1 0 0 0 13 12 1 0 0 0 13 23 1 0 0 0 13 24 1 0 0 0 14 13 1 0 0 0 15 25 1 0 0 0 M END $$$$