HEADER Model coordinates for PDB-CCD QPZ COMPND QPZ AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 QPZ A 1 -0.125 6.123 31.642 1.00 20.00 C HETATM 2 N1 QPZ A 1 -1.018 4.529 33.683 1.00 20.00 N HETATM 3 O1 QPZ A 1 -2.234 4.627 31.557 1.00 20.00 O HETATM 4 C2 QPZ A 1 -0.127 7.429 31.183 1.00 20.00 C HETATM 5 N2 QPZ A 1 3.275 7.634 29.694 1.00 20.00 N HETATM 6 O2 QPZ A 1 -2.234 6.555 33.101 1.00 20.00 O HETATM 7 C3 QPZ A 1 0.994 7.929 30.533 1.00 20.00 C HETATM 8 O3 QPZ A 1 5.418 7.338 28.912 1.00 20.00 O HETATM 9 C4 QPZ A 1 2.127 7.130 30.349 1.00 20.00 C HETATM 10 C5 QPZ A 1 2.127 5.803 30.813 1.00 20.00 C HETATM 11 C6 QPZ A 1 0.982 5.318 31.455 1.00 20.00 C HETATM 12 C7 QPZ A 1 3.315 4.989 30.617 1.00 20.00 C HETATM 13 C8 QPZ A 1 4.384 5.527 29.996 1.00 20.00 C HETATM 14 C9 QPZ A 1 4.441 6.859 29.495 1.00 20.00 C HETATM 15 C10 QPZ A 1 3.346 3.572 31.105 1.00 20.00 C HETATM 16 C11 QPZ A 1 3.275 9.018 29.195 1.00 20.00 C HETATM 17 C12 QPZ A 1 -0.615 5.094 34.993 1.00 20.00 C HETATM 18 C13 QPZ A 1 0.802 5.641 34.947 1.00 20.00 C HETATM 19 C14 QPZ A 1 1.083 6.951 35.333 1.00 20.00 C HETATM 20 C15 QPZ A 1 2.381 7.456 35.263 1.00 20.00 C HETATM 21 C16 QPZ A 1 3.408 6.665 34.801 1.00 20.00 C HETATM 22 C17 QPZ A 1 3.144 5.365 34.410 1.00 20.00 C HETATM 23 C18 QPZ A 1 1.850 4.855 34.485 1.00 20.00 C HETATM 24 S1 QPZ A 1 -1.541 5.470 32.477 1.00 20.00 S HETATM 25 H1 QPZ A 1 -1.754 3.879 33.872 1.00 20.00 H HETATM 26 H2 QPZ A 1 -0.995 8.055 31.329 1.00 20.00 H HETATM 27 H3 QPZ A 1 0.991 8.945 30.166 1.00 20.00 H HETATM 28 H6 QPZ A 1 0.963 4.298 31.810 1.00 20.00 H HETATM 29 H8 QPZ A 1 5.258 4.905 29.870 1.00 20.00 H HETATM 30 H10B QPZ A 1 2.385 3.326 31.580 1.00 20.00 H HETATM 31 H10A QPZ A 1 3.519 2.895 30.255 1.00 20.00 H HETATM 32 H10C QPZ A 1 4.157 3.455 31.838 1.00 20.00 H HETATM 33 H11A QPZ A 1 2.308 9.490 29.422 1.00 20.00 H HETATM 34 H11C QPZ A 1 4.082 9.584 29.683 1.00 20.00 H HETATM 35 H11B QPZ A 1 3.435 9.015 28.107 1.00 20.00 H HETATM 36 H12A QPZ A 1 -1.305 5.908 35.259 1.00 20.00 H HETATM 37 H12B QPZ A 1 -0.669 4.303 35.756 1.00 20.00 H HETATM 38 H14 QPZ A 1 0.284 7.583 35.691 1.00 20.00 H HETATM 39 H15 QPZ A 1 2.581 8.471 35.572 1.00 20.00 H HETATM 40 H16 QPZ A 1 4.413 7.057 34.744 1.00 20.00 H HETATM 41 H17 QPZ A 1 3.946 4.741 34.044 1.00 20.00 H HETATM 42 H18 QPZ A 1 1.659 3.837 34.180 1.00 20.00 H CONECT 1 4 11 11 24 CONECT 2 24 17 25 CONECT 3 24 24 CONECT 4 7 7 26 CONECT 5 16 14 9 CONECT 6 24 24 CONECT 7 9 27 CONECT 8 14 14 CONECT 9 10 10 CONECT 10 12 11 CONECT 11 28 CONECT 12 13 13 15 CONECT 13 14 29 CONECT 15 30 31 32 CONECT 16 33 34 35 CONECT 17 18 36 37 CONECT 18 23 19 19 CONECT 19 20 38 CONECT 20 21 21 39 CONECT 21 22 40 CONECT 22 23 23 41 CONECT 23 42 END