HEADER Ideal coordinates for PDB-CCD BOG COMPND BOG AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 BOG A 1 -0.643 -0.195 -1.766 1.00 20.00 C HETATM 2 O1 BOG A 1 -1.239 0.229 -0.538 1.00 20.00 O HETATM 3 C2 BOG A 1 -1.534 0.226 -2.936 1.00 20.00 C HETATM 4 O2 BOG A 1 -2.831 -0.352 -2.783 1.00 20.00 O HETATM 5 C3 BOG A 1 -0.904 -0.264 -4.245 1.00 20.00 C HETATM 6 O3 BOG A 1 -1.642 0.246 -5.357 1.00 20.00 O HETATM 7 C4 BOG A 1 0.541 0.239 -4.312 1.00 20.00 C HETATM 8 O4 BOG A 1 1.195 -0.327 -5.449 1.00 20.00 O HETATM 9 C5 BOG A 1 1.275 -0.182 -3.037 1.00 20.00 C HETATM 10 O5 BOG A 1 0.644 0.402 -1.900 1.00 20.00 O HETATM 11 C6 BOG A 1 2.729 0.287 -3.110 1.00 20.00 C HETATM 12 O6 BOG A 1 3.419 -0.111 -1.923 1.00 20.00 O HETATM 13 C1' BOG A 1 -0.368 -0.194 0.511 1.00 20.00 C HETATM 14 C2' BOG A 1 -0.951 0.231 1.860 1.00 20.00 C HETATM 15 C3' BOG A 1 -0.018 -0.221 2.985 1.00 20.00 C HETATM 16 C4' BOG A 1 -0.601 0.204 4.334 1.00 20.00 C HETATM 17 C5' BOG A 1 0.331 -0.249 5.459 1.00 20.00 C HETATM 18 C6' BOG A 1 -0.251 0.176 6.808 1.00 20.00 C HETATM 19 C7' BOG A 1 0.681 -0.276 7.932 1.00 20.00 C HETATM 20 C8' BOG A 1 0.098 0.149 9.281 1.00 20.00 C HETATM 21 H1 BOG A 1 -0.540 -1.281 -1.762 1.00 20.00 H HETATM 22 H2 BOG A 1 -1.619 1.312 -2.958 1.00 20.00 H HETATM 23 HO2 BOG A 1 -3.190 -0.017 -1.950 1.00 20.00 H HETATM 24 H3 BOG A 1 -0.913 -1.354 -4.270 1.00 20.00 H HETATM 25 HO3 BOG A 1 -2.543 -0.094 -5.275 1.00 20.00 H HETATM 26 H4 BOG A 1 0.545 1.326 -4.392 1.00 20.00 H HETATM 27 HO4 BOG A 1 0.701 -0.036 -6.228 1.00 20.00 H HETATM 28 H5 BOG A 1 1.250 -1.268 -2.947 1.00 20.00 H HETATM 29 H61 BOG A 1 3.213 -0.158 -3.978 1.00 20.00 H HETATM 30 H62 BOG A 1 2.756 1.373 -3.197 1.00 20.00 H HETATM 31 HO6 BOG A 1 4.329 0.204 -2.010 1.00 20.00 H HETATM 32 H1'1 BOG A 1 0.611 0.264 0.378 1.00 20.00 H HETATM 33 H1'2 BOG A 1 -0.268 -1.279 0.485 1.00 20.00 H HETATM 34 H2'1 BOG A 1 -1.930 -0.226 1.994 1.00 20.00 H HETATM 35 H2'2 BOG A 1 -1.051 1.316 1.886 1.00 20.00 H HETATM 36 H3'1 BOG A 1 0.961 0.236 2.852 1.00 20.00 H HETATM 37 H3'2 BOG A 1 0.081 -1.307 2.959 1.00 20.00 H HETATM 38 H4'1 BOG A 1 -1.581 -0.254 4.467 1.00 20.00 H HETATM 39 H4'2 BOG A 1 -0.701 1.289 4.360 1.00 20.00 H HETATM 40 H5'1 BOG A 1 1.311 0.209 5.325 1.00 20.00 H HETATM 41 H5'2 BOG A 1 0.431 -1.334 5.433 1.00 20.00 H HETATM 42 H6'1 BOG A 1 -1.231 -0.281 6.941 1.00 20.00 H HETATM 43 H6'2 BOG A 1 -0.351 1.261 6.834 1.00 20.00 H HETATM 44 H7'1 BOG A 1 1.661 0.181 7.799 1.00 20.00 H HETATM 45 H7'2 BOG A 1 0.781 -1.361 7.906 1.00 20.00 H HETATM 46 H8'1 BOG A 1 0.763 -0.173 10.083 1.00 20.00 H HETATM 47 H8'2 BOG A 1 -0.001 1.234 9.308 1.00 20.00 H HETATM 48 H8'3 BOG A 1 -0.881 -0.309 9.415 1.00 20.00 H CONECT 1 2 3 10 21 CONECT 2 13 CONECT 3 4 5 22 CONECT 4 23 CONECT 5 6 7 24 CONECT 6 25 CONECT 7 8 9 26 CONECT 8 27 CONECT 9 10 11 28 CONECT 11 12 29 30 CONECT 12 31 CONECT 13 14 32 33 CONECT 14 15 34 35 CONECT 15 16 36 37 CONECT 16 17 38 39 CONECT 17 18 40 41 CONECT 18 19 42 43 CONECT 19 20 44 45 CONECT 20 46 47 48 END