J5I Converted by convert_cif2sdf.py 2024/03/29 11:09:15 21 22 0 0 0 0 0 0 0 0999 V2000 -3.3787 0.7504 -0.0008 C 0 0 0 0 0 -1.9311 0.3323 -0.0009 C 0 0 0 0 0 -0.9549 1.2739 0.0001 C 0 0 0 0 0 0.4409 0.8338 -0.0000 C 0 0 0 0 0 1.4905 1.7589 0.0009 C 0 0 0 0 0 2.7829 1.3162 0.0008 C 0 0 0 0 0 3.0648 -0.0430 0.0008 C 0 0 0 0 0 2.0465 -0.9723 -0.0011 C 0 0 0 0 0 0.7224 -0.5449 -0.0011 C 0 0 0 0 0 -0.3153 -1.4524 -0.0010 N 0 0 0 0 0 -1.5950 -1.0389 0.0041 C 0 0 0 0 0 -2.4878 -1.8688 0.0080 O 0 0 0 0 0 -3.7275 0.8518 -1.0287 H 0 0 0 0 0 -3.9751 -0.0040 0.5120 H 0 0 0 0 0 -3.4801 1.7057 0.5135 H 0 0 0 0 0 -1.2032 2.3250 0.0003 H 0 0 0 0 0 1.2804 2.8183 0.0011 H 0 0 0 0 0 3.5930 2.0305 0.0020 H 0 0 0 0 0 4.0920 -0.3767 0.0007 H 0 0 0 0 0 2.2752 -2.0271 -0.0024 H 0 0 0 0 0 -0.1200 -2.4026 -0.0023 H 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 2 11 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 4 9 2 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 2 0 0 0 1 13 1 0 0 0 1 14 1 0 0 0 1 15 1 0 0 0 3 16 1 0 0 0 5 17 1 0 0 0 6 18 1 0 0 0 7 19 1 0 0 0 8 20 1 0 0 0 10 21 1 0 0 0 M END $$$$