HEADER Model coordinates for PDB-CCD BMA COMPND BMA AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 BMA A 1 27.913 -0.014 -0.918 1.00 20.00 C HETATM 2 C2 BMA A 1 28.289 1.181 -0.018 1.00 20.00 C HETATM 3 C3 BMA A 1 29.844 1.264 -0.063 1.00 20.00 C HETATM 4 C4 BMA A 1 30.565 -0.137 -0.527 1.00 20.00 C HETATM 5 C5 BMA A 1 29.687 -1.504 -0.194 1.00 20.00 C HETATM 6 C6 BMA A 1 29.877 -2.207 1.231 1.00 20.00 C HETATM 7 O1 BMA A 1 26.518 -0.013 -1.109 1.00 20.00 O HETATM 8 O2 BMA A 1 27.730 1.125 1.374 1.00 20.00 O HETATM 9 O3 BMA A 1 30.418 1.690 1.173 1.00 20.00 O HETATM 10 O4 BMA A 1 30.854 -0.128 -1.954 1.00 20.00 O HETATM 11 O5 BMA A 1 28.253 -1.252 -0.293 1.00 20.00 O HETATM 12 O6 BMA A 1 30.472 -3.557 1.147 1.00 20.00 O HETATM 13 H1 BMA A 1 28.466 0.085 -1.880 1.00 20.00 H HETATM 14 H2 BMA A 1 27.818 2.114 -0.405 1.00 20.00 H HETATM 15 H3 BMA A 1 30.043 2.037 -0.841 1.00 20.00 H HETATM 16 H4 BMA A 1 31.501 -0.179 0.077 1.00 20.00 H HETATM 17 H5 BMA A 1 30.101 -2.195 -0.964 1.00 20.00 H HETATM 18 H61 BMA A 1 30.469 -1.556 1.916 1.00 20.00 H HETATM 19 H62 BMA A 1 28.912 -2.234 1.789 1.00 20.00 H HETATM 20 HO1 BMA A 1 26.286 -0.749 -1.663 1.00 20.00 H HETATM 21 HO2 BMA A 1 27.961 1.861 1.928 1.00 20.00 H HETATM 22 HO3 BMA A 1 31.366 1.740 1.145 1.00 20.00 H HETATM 23 HO4 BMA A 1 31.271 -0.938 -2.222 1.00 20.00 H HETATM 24 HO6 BMA A 1 30.584 -3.974 1.992 1.00 20.00 H CONECT 1 2 7 11 13 CONECT 2 3 8 14 CONECT 3 4 9 15 CONECT 4 5 10 16 CONECT 5 6 11 17 CONECT 6 12 18 19 CONECT 7 20 CONECT 8 21 CONECT 9 22 CONECT 10 23 CONECT 12 24 END