JGS Converted by convert_cif2sdf.py 2024/03/01 05:07:52 25 26 0 0 0 0 0 0 0 0999 V2000 3.2051 0.1052 0.0368 C 0 0 0 0 0 -3.1311 -1.5718 0.2443 C 0 0 0 0 0 -2.5276 2.1097 -0.1936 C 0 0 0 0 0 -3.1759 0.8964 -0.0898 C 0 0 0 0 0 -2.4401 -0.2702 0.1321 C 0 0 0 0 0 -1.0513 -0.2028 0.2473 C 0 0 0 0 0 -0.4113 1.0217 0.1414 C 0 0 0 0 0 -1.1518 2.1767 -0.0846 C 0 0 0 0 0 0.9808 1.0954 0.2576 N 0 0 0 0 0 1.7483 0.0816 -0.1890 C 0 0 0 0 0 1.2400 -0.8533 -0.7772 O 0 0 0 0 0 4.1142 -0.8388 -0.3560 C 0 0 0 0 0 5.3500 -0.3297 0.1003 C 0 0 0 0 0 5.0912 0.8014 0.6895 N 0 0 0 0 0 3.9115 1.0639 0.6672 O 0 0 0 0 0 -4.4721 -1.6349 0.1327 O 0 0 0 0 0 -2.4893 -2.5857 0.4375 O 0 0 0 0 0 -3.0978 3.0108 -0.3651 H 0 0 0 0 0 -4.2512 0.8484 -0.1795 H 0 0 0 0 0 -0.4774 -1.1015 0.4199 H 0 0 0 0 0 -0.6501 3.1294 -0.1665 H 0 0 0 0 0 1.3934 1.8761 0.6585 H 0 0 0 0 0 3.9297 -1.7592 -0.8907 H 0 0 0 0 0 6.3205 -0.7891 -0.0161 H 0 0 0 0 0 -4.8789 -2.5077 0.2128 H 0 0 0 0 0 13 12 1 0 0 0 13 14 2 0 0 0 12 1 2 0 0 0 17 2 2 0 0 0 2 16 1 0 0 0 2 5 1 0 0 0 14 15 1 0 0 0 6 5 2 0 0 0 6 7 1 0 0 0 5 4 1 0 0 0 1 15 1 0 0 0 1 10 1 0 0 0 9 7 1 0 0 0 9 10 1 0 0 0 7 8 2 0 0 0 4 3 2 0 0 0 10 11 2 0 0 0 8 3 1 0 0 0 3 18 1 0 0 0 4 19 1 0 0 0 6 20 1 0 0 0 8 21 1 0 0 0 9 22 1 0 0 0 12 23 1 0 0 0 13 24 1 0 0 0 16 25 1 0 0 0 M END $$$$