H4Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAK | sing | 1.53Å | 1.53Å | |
| CAF | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAJ | sing | 1.51Å | 1.39Å | |
| CAK | CAH | sing | 1.53Å | 1.53Å | |
| CAD | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAH | sing | 1.53Å | 1.52Å | |
| CAI | OAC | sing | 1.36Å | 1.36Å | |
| CAI | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAD | H11 | sing | 1.08Å | 1.08Å | |
| OAC | H12 | sing | 0.97Å | 0.95Å | |
| CAE | H13 | sing | 1.08Å | 1.08Å | |
| CAG | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAK | CAJ | 110.3° | 109.5° |
| CAB | CAK | CAH | 109.2° | 109.5° |
| CAB | CAK | H6 | 109.9° | 109.4° |
| CAK | CAB | H7 | 109.5° | 109.5° |
| CAK | CAB | H8 | 109.5° | 109.4° |
| CAK | CAB | H9 | 109.5° | 109.5° |
| CAD | CAF | CAJ | 120.0° | 120.0° |
| CAF | CAD | CAI | 119.9° | 120.0° |
| CAD | CAF | H10 | 120.0° | 120.0° |
| CAF | CAD | H11 | 120.0° | 120.0° |
| CAF | CAJ | CAK | 119.5° | 119.9° |
| CAF | CAJ | CAG | 120.3° | 120.1° |
| CAJ | CAF | H10 | 120.0° | 120.0° |
| CAJ | CAK | CAH | 105.2° | 109.5° |
| CAK | CAJ | CAG | 120.1° | 120.0° |
| CAJ | CAK | H6 | 112.1° | 109.5° |
| CAK | CAH | CAA | 110.8° | 109.5° |
| CAK | CAH | H4 | 109.1° | 109.5° |
| CAK | CAH | H5 | 109.1° | 109.5° |
| CAH | CAK | H6 | 109.9° | 109.5° |
| CAD | CAI | OAC | 119.1° | 120.1° |
| CAD | CAI | CAE | 120.4° | 119.9° |
| CAI | CAD | H11 | 120.0° | 120.0° |
| CAJ | CAG | CAE | 119.6° | 120.0° |
| CAJ | CAG | H14 | 120.2° | 120.0° |
| CAH | CAA | H1 | 109.5° | 109.5° |
| CAH | CAA | H2 | 109.5° | 109.5° |
| CAH | CAA | H3 | 109.5° | 109.5° |
| CAA | CAH | H4 | 109.1° | 109.5° |
| CAA | CAH | H5 | 109.2° | 109.4° |
| OAC | CAI | CAE | 120.5° | 120.1° |
| CAI | OAC | H12 | 109.5° | 114.0° |
| CAI | CAE | CAG | 119.7° | 120.0° |
| CAI | CAE | H13 | 120.1° | 120.0° |
| CAG | CAE | H13 | 120.1° | 120.0° |
| CAE | CAG | H14 | 120.2° | 120.0° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H4 | CAH | H5 | 109.5° | 109.5° |
| H7 | CAB | H8 | 109.4° | 109.5° |
| H7 | CAB | H9 | 109.5° | 109.5° |
| H8 | CAB | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAK | CAJ | CAF | 21.9° | 60.3° |
| CAB | CAK | CAJ | CAH | 117.6° | 120.0° |
| CAB | CAK | CAJ | H6 | 122.9° | 120.0° |
| CAB | CAK | CAH | H6 | 120.7° | 120.0° |
| CAB | CAK | CAJ | CAG | 160.0° | 120.0° |
| CAB | CAK | CAH | CAA | 62.1° | 65.0° |
| CAB | CAK | CAH | H4 | 177.7° | 55.0° |
| CAB | CAK | CAH | H5 | 58.1° | 175.0° |
| CAK | CAB | H7 | H8 | 120.0° | 120.0° |
| CAK | CAB | H7 | H9 | 120.0° | 120.0° |
| CAK | CAB | H8 | H9 | 120.0° | 120.0° |
| CAD | CAF | CAJ | H10 | 180.0° | 180.0° |
| CAD | CAF | CAJ | CAK | 178.7° | 180.0° |
| CAF | CAD | CAI | H11 | 180.0° | 179.9° |
| CAD | CAF | CAJ | CAG | 0.6° | 0.3° |
| CAF | CAD | CAI | OAC | 179.9° | 180.0° |
| CAF | CAD | CAI | CAE | 0.1° | 0.0° |
| CAF | CAJ | CAK | CAG | 178.1° | 179.7° |
| CAF | CAJ | CAK | CAH | 95.7° | 59.7° |
| CAJ | CAF | CAD | CAI | 0.4° | 0.0° |
| CAF | CAJ | CAG | CAE | 0.6° | 0.6° |
| CAF | CAJ | CAK | H6 | 144.8° | 179.7° |
| CAJ | CAF | CAD | H11 | 179.6° | 179.9° |
| CAF | CAJ | CAG | H14 | 179.5° | 179.7° |
| CAJ | CAK | CAH | H6 | 120.9° | 120.0° |
| CAJ | CAK | CAH | CAA | 179.5° | 175.0° |
| CAK | CAJ | CAG | CAE | 178.6° | 179.8° |
| CAJ | CAK | CAH | H4 | 59.3° | 65.0° |
| CAJ | CAK | CAH | H5 | 60.2° | 55.0° |
| CAJ | CAK | CAB | H7 | 180.0° | 59.9° |
| CAJ | CAK | CAB | H8 | 60.0° | 180.0° |
| CAJ | CAK | CAB | H9 | 60.0° | 60.1° |
| CAK | CAJ | CAF | H10 | 1.3° | 0.1° |
| CAK | CAJ | CAG | H14 | 1.4° | 0.0° |
| CAH | CAK | CAJ | CAG | 82.3° | 120.0° |
| CAK | CAH | CAA | H4 | 120.2° | 120.0° |
| CAK | CAH | CAA | H5 | 120.2° | 120.0° |
| CAK | CAH | CAA | H1 | 180.0° | 180.0° |
| CAK | CAH | CAA | H2 | 60.0° | 60.0° |
| CAK | CAH | CAA | H3 | 60.0° | 60.0° |
| CAK | CAH | H4 | H5 | 119.4° | 120.0° |
| CAH | CAK | CAB | H7 | 64.9° | 180.0° |
| CAH | CAK | CAB | H8 | 55.1° | 60.0° |
| CAH | CAK | CAB | H9 | 175.1° | 60.0° |
| CAD | CAI | OAC | CAE | 180.0° | 180.0° |
| CAD | CAI | CAE | CAG | 0.0° | 0.3° |
| CAI | CAD | CAF | H10 | 179.6° | 180.0° |
| CAD | CAI | OAC | H12 | 180.0° | 90.0° |
| CAD | CAI | CAE | H13 | 180.0° | 180.0° |
| CAJ | CAG | CAE | CAI | 0.3° | 0.6° |
| CAJ | CAG | CAE | H14 | 180.0° | 179.7° |
| CAG | CAJ | CAK | H6 | 37.1° | 0.0° |
| CAG | CAJ | CAF | H10 | 179.3° | 179.7° |
| CAJ | CAG | CAE | H13 | 179.8° | 179.7° |
| CAH | CAA | H1 | H2 | 120.0° | 120.0° |
| CAH | CAA | H1 | H3 | 120.0° | 120.0° |
| CAH | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAH | H4 | H5 | 119.4° | 120.0° |
| CAA | CAH | CAK | H6 | 58.6° | 55.0° |
| OAC | CAI | CAE | CAG | 180.0° | 179.7° |
| OAC | CAI | CAD | H11 | 0.1° | 0.1° |
| OAC | CAI | CAE | H13 | 0.0° | 0.0° |
| CAI | CAE | CAG | H13 | 180.0° | 179.7° |
| CAE | CAI | CAD | H11 | 179.9° | 179.9° |
| CAE | CAI | OAC | H12 | 0.0° | 90.0° |
| CAI | CAE | CAG | H14 | 179.8° | 179.7° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAH | H4 | 59.8° | 60.0° |
| H1 | CAA | CAH | H5 | 59.8° | 60.0° |
| H2 | CAA | CAH | H4 | 179.8° | 60.1° |
| H2 | CAA | CAH | H5 | 60.2° | 180.0° |
| H3 | CAA | CAH | H4 | 60.2° | 180.0° |
| H3 | CAA | CAH | H5 | 179.8° | 60.0° |
| H4 | CAH | CAK | H6 | 61.6° | 175.0° |
| H5 | CAH | CAK | H6 | 178.9° | 65.0° |
| H6 | CAK | CAB | H7 | 55.9° | 60.0° |
| H6 | CAK | CAB | H8 | 175.8° | 60.0° |
| H6 | CAK | CAB | H9 | 64.2° | 180.0° |
| H7 | CAB | H8 | H9 | 120.0° | 120.0° |
| H10 | CAF | CAD | H11 | 0.5° | 0.1° |
| H13 | CAE | CAG | H14 | 0.2° | 0.0° |
