HEADER Model coordinates for PDB-CCD BOG COMPND BOG AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 BOG A 1 -22.384 -89.769 58.441 1.00 20.00 C HETATM 2 O1 BOG A 1 -22.896 -88.914 57.431 1.00 20.00 O HETATM 3 C2 BOG A 1 -21.602 -88.949 59.453 1.00 20.00 C HETATM 4 O2 BOG A 1 -20.557 -88.251 58.818 1.00 20.00 O HETATM 5 C3 BOG A 1 -21.022 -89.890 60.480 1.00 20.00 C HETATM 6 O3 BOG A 1 -20.242 -89.153 61.430 1.00 20.00 O HETATM 7 C4 BOG A 1 -22.180 -90.578 61.181 1.00 20.00 C HETATM 8 O4 BOG A 1 -21.674 -91.502 62.133 1.00 20.00 O HETATM 9 C5 BOG A 1 -23.036 -91.320 60.146 1.00 20.00 C HETATM 10 O5 BOG A 1 -23.463 -90.426 59.115 1.00 20.00 O HETATM 11 C6 BOG A 1 -24.240 -91.914 60.840 1.00 20.00 C HETATM 12 O6 BOG A 1 -23.851 -93.111 61.490 1.00 20.00 O HETATM 13 C1' BOG A 1 -22.123 -88.891 56.237 1.00 20.00 C HETATM 14 C2' BOG A 1 -21.748 -87.454 55.914 1.00 20.00 C HETATM 15 C3' BOG A 1 -20.235 -87.325 55.968 1.00 20.00 C HETATM 16 C4' BOG A 1 -19.852 -85.911 56.349 1.00 20.00 C HETATM 17 C5' BOG A 1 -18.352 -85.778 56.233 1.00 20.00 C HETATM 18 C6' BOG A 1 -17.911 -84.459 56.821 1.00 20.00 C HETATM 19 C7' BOG A 1 -16.411 -84.301 56.609 1.00 20.00 C HETATM 20 C8' BOG A 1 -15.984 -82.949 57.149 1.00 20.00 C HETATM 21 H1 BOG A 1 -21.717 -90.528 57.968 1.00 20.00 H HETATM 22 H2 BOG A 1 -22.280 -88.208 59.937 1.00 20.00 H HETATM 23 HO2 BOG A 1 -20.068 -87.738 59.450 1.00 20.00 H HETATM 24 H3 BOG A 1 -20.359 -90.642 59.992 1.00 20.00 H HETATM 25 HO3 BOG A 1 -19.876 -89.745 62.076 1.00 20.00 H HETATM 26 H4 BOG A 1 -22.807 -89.816 61.701 1.00 20.00 H HETATM 27 HO4 BOG A 1 -22.398 -91.932 62.571 1.00 20.00 H HETATM 28 H5 BOG A 1 -22.428 -92.129 59.679 1.00 20.00 H HETATM 29 H61 BOG A 1 -24.729 -91.192 61.535 1.00 20.00 H HETATM 30 H62 BOG A 1 -25.098 -92.067 60.145 1.00 20.00 H HETATM 31 HO6 BOG A 1 -24.607 -93.484 61.926 1.00 20.00 H HETATM 32 H1'1 BOG A 1 -21.231 -89.558 56.296 1.00 20.00 H HETATM 33 H1'2 BOG A 1 -22.640 -89.395 55.387 1.00 20.00 H HETATM 34 H2'1 BOG A 1 -22.172 -87.109 54.941 1.00 20.00 H HETATM 35 H2'2 BOG A 1 -22.263 -86.718 56.574 1.00 20.00 H HETATM 36 H3'1 BOG A 1 -19.774 -88.080 56.646 1.00 20.00 H HETATM 37 H3'2 BOG A 1 -19.753 -87.647 55.015 1.00 20.00 H HETATM 38 H4'1 BOG A 1 -20.398 -85.143 55.753 1.00 20.00 H HETATM 39 H4'2 BOG A 1 -20.232 -85.619 57.356 1.00 20.00 H HETATM 40 H5'1 BOG A 1 -17.817 -86.642 56.691 1.00 20.00 H HETATM 41 H5'2 BOG A 1 -17.998 -85.909 55.183 1.00 20.00 H HETATM 42 H6'1 BOG A 1 -18.490 -83.597 56.415 1.00 20.00 H HETATM 43 H6'2 BOG A 1 -18.202 -84.352 57.891 1.00 20.00 H HETATM 44 H7'1 BOG A 1 -15.826 -85.141 57.051 1.00 20.00 H HETATM 45 H7'2 BOG A 1 -16.112 -84.449 55.545 1.00 20.00 H HETATM 46 H8'1 BOG A 1 -14.885 -82.833 56.993 1.00 20.00 H HETATM 47 H8'2 BOG A 1 -16.568 -82.108 56.706 1.00 20.00 H HETATM 48 H8'3 BOG A 1 -16.282 -82.800 58.213 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