J1K Converted by convert_cif2sdf.py 2024/03/29 11:09:15 26 26 0 0 0 0 0 0 0 0999 V2000 5.1180 -0.6044 0.0943 C 0 0 0 0 0 -0.3853 1.0059 0.0749 C 0 0 0 0 0 3.6983 -0.1883 0.0891 C 0 0 0 0 0 3.3666 1.1645 0.1772 C 0 0 0 0 0 2.0440 1.5512 0.1731 C 0 0 0 0 0 1.0364 0.5907 0.0800 C 0 0 0 0 0 1.3671 -0.7620 -0.0081 C 0 0 0 0 0 2.6896 -1.1490 -0.0090 C 0 0 0 0 0 -2.7645 0.4901 -0.0199 C 0 0 0 0 0 -3.6571 -0.7476 -0.1298 C 0 0 0 0 0 -1.3587 0.0785 -0.0145 N 0 0 0 0 0 5.9950 0.2320 0.1791 O 0 0 0 0 0 5.4374 -1.9095 0.0092 O 0 0 0 0 0 -0.6734 2.1844 0.1521 O 0 0 0 0 0 -3.5029 -1.5523 1.0414 O 0 0 0 0 0 4.1460 1.9084 0.2494 H 0 0 0 0 0 1.7871 2.5980 0.2417 H 0 0 0 0 0 0.5877 -1.5051 -0.0844 H 0 0 0 0 0 2.9464 -2.1958 -0.0776 H 0 0 0 0 0 -2.9482 1.1466 -0.8692 H 0 0 0 0 0 -2.9906 1.0201 0.9060 H 0 0 0 0 0 -4.6980 -0.4378 -0.2218 H 0 0 0 0 0 -3.3706 -1.3256 -1.0077 H 0 0 0 0 0 -1.1279 -0.8619 -0.0764 H 0 0 0 0 0 6.3785 -2.1328 0.0153 H 0 0 0 0 0 -4.0407 -2.3553 1.0406 H 0 0 0 0 0 14 2 2 0 0 0 15 10 1 0 0 0 7 8 2 0 0 0 7 6 1 0 0 0 2 6 1 0 0 0 2 11 1 0 0 0 8 3 1 0 0 0 6 5 2 0 0 0 10 9 1 0 0 0 11 9 1 0 0 0 12 1 2 0 0 0 3 1 1 0 0 0 3 4 2 0 0 0 5 4 1 0 0 0 1 13 1 0 0 0 4 16 1 0 0 0 5 17 1 0 0 0 7 18 1 0 0 0 8 19 1 0 0 0 9 20 1 0 0 0 9 21 1 0 0 0 10 22 1 0 0 0 10 23 1 0 0 0 11 24 1 0 0 0 13 25 1 0 0 0 15 26 1 0 0 0 M END $$$$