HEADER Ideal coordinates for PDB-CCD BMA COMPND BMA AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 BMA A 1 -1.442 -0.578 -0.504 1.00 20.00 C HETATM 2 C2 BMA A 1 -0.493 -0.194 -1.642 1.00 20.00 C HETATM 3 C3 BMA A 1 0.945 -0.515 -1.223 1.00 20.00 C HETATM 4 C4 BMA A 1 1.227 0.168 0.119 1.00 20.00 C HETATM 5 C5 BMA A 1 0.149 -0.244 1.124 1.00 20.00 C HETATM 6 C6 BMA A 1 0.442 0.405 2.478 1.00 20.00 C HETATM 7 O1 BMA A 1 -2.789 -0.311 -0.899 1.00 20.00 O HETATM 8 O2 BMA A 1 -0.614 1.202 -1.915 1.00 20.00 O HETATM 9 O3 BMA A 1 1.853 -0.027 -2.213 1.00 20.00 O HETATM 10 O4 BMA A 1 2.510 -0.235 0.601 1.00 20.00 O HETATM 11 O5 BMA A 1 -1.130 0.181 0.661 1.00 20.00 O HETATM 12 O6 BMA A 1 -0.561 0.018 3.419 1.00 20.00 O HETATM 13 H1 BMA A 1 -1.333 -1.640 -0.284 1.00 20.00 H HETATM 14 H2 BMA A 1 -0.748 -0.763 -2.537 1.00 20.00 H HETATM 15 H3 BMA A 1 1.063 -1.593 -1.118 1.00 20.00 H HETATM 16 H4 BMA A 1 1.211 1.250 -0.011 1.00 20.00 H HETATM 17 H5 BMA A 1 0.152 -1.328 1.234 1.00 20.00 H HETATM 18 H61 BMA A 1 0.439 1.489 2.369 1.00 20.00 H HETATM 19 H62 BMA A 1 1.418 0.078 2.835 1.00 20.00 H HETATM 20 HO1 BMA A 1 -3.354 -0.570 -0.159 1.00 20.00 H HETATM 21 HO2 BMA A 1 -1.534 1.360 -2.167 1.00 20.00 H HETATM 22 HO3 BMA A 1 1.630 -0.474 -3.041 1.00 20.00 H HETATM 23 HO4 BMA A 1 3.157 0.035 -0.064 1.00 20.00 H HETATM 24 HO6 BMA A 1 -0.340 0.447 4.256 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