HEADER Ideal coordinates for PDB-CCD QPZ COMPND QPZ AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C1 QPZ A 1 0.456 -1.300 0.040 1.00 20.00 C HETATM 2 N1 QPZ A 1 -2.275 -1.013 0.217 1.00 20.00 N HETATM 3 O1 QPZ A 1 -1.207 -2.054 -1.750 1.00 20.00 O HETATM 4 C2 QPZ A 1 1.074 -1.570 1.253 1.00 20.00 C HETATM 5 N2 QPZ A 1 4.123 0.435 0.944 1.00 20.00 N HETATM 6 O2 QPZ A 1 -1.185 -3.213 0.464 1.00 20.00 O HETATM 7 C3 QPZ A 1 2.290 -1.001 1.566 1.00 20.00 C HETATM 8 O3 QPZ A 1 5.794 1.757 0.351 1.00 20.00 O HETATM 9 C4 QPZ A 1 2.907 -0.148 0.657 1.00 20.00 C HETATM 10 C5 QPZ A 1 2.278 0.124 -0.573 1.00 20.00 C HETATM 11 C6 QPZ A 1 1.046 -0.469 -0.871 1.00 20.00 C HETATM 12 C7 QPZ A 1 2.935 1.023 -1.523 1.00 20.00 C HETATM 13 C8 QPZ A 1 4.130 1.564 -1.182 1.00 20.00 C HETATM 14 C9 QPZ A 1 4.719 1.259 0.064 1.00 20.00 C HETATM 15 C10 QPZ A 1 2.297 1.341 -2.851 1.00 20.00 C HETATM 16 C11 QPZ A 1 4.775 0.152 2.224 1.00 20.00 C HETATM 17 C12 QPZ A 1 -2.428 0.314 -0.385 1.00 20.00 C HETATM 18 C13 QPZ A 1 -3.760 0.896 0.015 1.00 20.00 C HETATM 19 C14 QPZ A 1 -3.864 1.659 1.163 1.00 20.00 C HETATM 20 C15 QPZ A 1 -5.086 2.192 1.530 1.00 20.00 C HETATM 21 C16 QPZ A 1 -6.203 1.963 0.748 1.00 20.00 C HETATM 22 C17 QPZ A 1 -6.098 1.200 -0.400 1.00 20.00 C HETATM 23 C18 QPZ A 1 -4.875 0.672 -0.770 1.00 20.00 C HETATM 24 S1 QPZ A 1 -1.098 -2.040 -0.333 1.00 20.00 S HETATM 25 H1 QPZ A 1 -2.863 -1.290 0.937 1.00 20.00 H HETATM 26 H2 QPZ A 1 0.596 -2.232 1.960 1.00 20.00 H HETATM 27 H3 QPZ A 1 2.762 -1.217 2.513 1.00 20.00 H HETATM 28 H6 QPZ A 1 0.560 -0.264 -1.813 1.00 20.00 H HETATM 29 H8 QPZ A 1 4.634 2.231 -1.866 1.00 20.00 H HETATM 30 H10B QPZ A 1 1.659 2.218 -2.747 1.00 20.00 H HETATM 31 H10A QPZ A 1 3.074 1.541 -3.589 1.00 20.00 H HETATM 32 H10C QPZ A 1 1.696 0.492 -3.178 1.00 20.00 H HETATM 33 H11A QPZ A 1 5.422 -0.720 2.117 1.00 20.00 H HETATM 34 H11C QPZ A 1 5.372 1.012 2.526 1.00 20.00 H HETATM 35 H11B QPZ A 1 4.018 -0.049 2.982 1.00 20.00 H HETATM 36 H12A QPZ A 1 -1.627 0.966 -0.036 1.00 20.00 H HETATM 37 H12B QPZ A 1 -2.380 0.229 -1.470 1.00 20.00 H HETATM 38 H14 QPZ A 1 -2.992 1.838 1.774 1.00 20.00 H HETATM 39 H15 QPZ A 1 -5.167 2.788 2.427 1.00 20.00 H HETATM 40 H16 QPZ A 1 -7.157 2.379 1.035 1.00 20.00 H HETATM 41 H17 QPZ A 1 -6.970 1.025 -1.013 1.00 20.00 H HETATM 42 H18 QPZ A 1 -4.794 0.076 -1.667 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