QGH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | NAH | sing | 1.47Å | 1.47Å | |
| CAF | CAG | sing | 1.54Å | 1.52Å | |
| NAH | CAN | sing | 1.47Å | 1.46Å | |
| CAG | CAJ | sing | 1.51Å | 1.37Å | |
| CAN | CAA | sing | 1.53Å | 1.50Å | |
| CAN | CAK | sing | 1.51Å | 1.39Å | |
| CAJ | CAK | doub | 1.35Å | 1.34Å | Aromatic |
| CAJ | CAM | sing | 1.45Å | 1.35Å | Aromatic |
| CAK | NAI | sing | 1.37Å | 1.34Å | Aromatic |
| CAE | CAM | doub | 1.40Å | 1.33Å | Aromatic |
| CAE | CAC | sing | 1.37Å | 1.40Å | Aromatic |
| CAM | CAL | sing | 1.42Å | 1.34Å | Aromatic |
| NAI | CAL | sing | 1.37Å | 1.35Å | Aromatic |
| CAL | CAD | doub | 1.39Å | 1.34Å | Aromatic |
| CAC | CAB | doub | 1.38Å | 1.38Å | Aromatic |
| CAD | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| NAI | H5 | sing | 0.97Å | 1.00Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| CAB | H7 | sing | 1.08Å | 1.08Å | |
| CAC | H8 | sing | 1.08Å | 1.08Å | |
| CAE | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.09Å | 1.10Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CAF | H13 | sing | 1.09Å | 1.10Å | |
| NAH | H14 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAH | CAF | CAG | 112.6° | 109.4° |
| CAF | NAH | CAN | 108.3° | 111.4° |
| NAH | CAF | H12 | 108.7° | 109.5° |
| NAH | CAF | H13 | 108.7° | 109.5° |
| CAF | NAH | H14 | 109.8° | 111.0° |
| CAF | CAG | CAJ | 110.7° | 108.0° |
| CAF | CAG | H10 | 109.2° | 109.7° |
| CAF | CAG | H11 | 109.2° | 109.8° |
| CAG | CAF | H12 | 108.7° | 109.5° |
| CAG | CAF | H13 | 108.7° | 109.5° |
| NAH | CAN | CAA | 108.3° | 109.6° |
| NAH | CAN | CAK | 110.7° | 108.5° |
| NAH | CAN | H4 | 109.8° | 109.8° |
| CAN | NAH | H14 | 109.7° | 111.0° |
| CAG | CAJ | CAK | 124.0° | 123.5° |
| CAG | CAJ | CAM | 127.6° | 129.4° |
| CAJ | CAG | H10 | 109.2° | 109.8° |
| CAJ | CAG | H11 | 109.1° | 109.8° |
| CAA | CAN | CAK | 107.9° | 109.6° |
| CAN | CAA | H1 | 109.5° | 109.5° |
| CAN | CAA | H2 | 109.5° | 109.5° |
| CAN | CAA | H3 | 109.5° | 109.4° |
| CAA | CAN | H4 | 109.2° | 109.6° |
| CAN | CAK | CAJ | 124.5° | 123.0° |
| CAN | CAK | NAI | 127.9° | 127.2° |
| CAK | CAN | H4 | 110.9° | 109.6° |
| CAK | CAJ | CAM | 108.4° | 107.2° |
| CAJ | CAK | NAI | 107.6° | 109.7° |
| CAJ | CAM | CAE | 130.8° | 132.9° |
| CAJ | CAM | CAL | 107.4° | 106.0° |
| CAK | NAI | CAL | 108.6° | 109.8° |
| CAK | NAI | H5 | 125.7° | 125.1° |
| CAM | CAE | CAC | 120.0° | 116.9° |
| CAE | CAM | CAL | 121.8° | 121.2° |
| CAM | CAE | H9 | 120.0° | 121.6° |
| CAE | CAC | CAB | 118.2° | 122.1° |
| CAE | CAC | H8 | 120.9° | 118.9° |
| CAC | CAE | H9 | 120.0° | 121.5° |
| CAM | CAL | NAI | 108.0° | 107.4° |
| CAM | CAL | CAD | 120.9° | 120.6° |
| NAI | CAL | CAD | 131.0° | 132.0° |
| CAL | NAI | H5 | 125.7° | 125.2° |
| CAL | CAD | CAB | 119.7° | 116.9° |
| CAL | CAD | H6 | 120.1° | 121.5° |
| CAC | CAB | CAD | 119.4° | 122.2° |
| CAC | CAB | H7 | 120.3° | 118.9° |
| CAB | CAC | H8 | 120.9° | 119.0° |
| CAB | CAD | H6 | 120.2° | 121.5° |
| CAD | CAB | H7 | 120.3° | 118.9° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H10 | CAG | H11 | 109.5° | 109.7° |
| H12 | CAF | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAH | CAF | CAG | H12 | 120.5° | 119.9° |
| NAH | CAF | CAG | H13 | 120.5° | 120.0° |
| CAF | NAH | CAN | H14 | 119.9° | 124.3° |
| NAH | CAF | CAG | CAJ | 39.2° | 49.0° |
| CAF | NAH | CAN | CAA | 67.1° | 171.3° |
| CAF | NAH | CAN | CAK | 50.9° | 51.7° |
| CAF | NAH | CAN | H4 | 173.7° | 68.1° |
| NAH | CAF | CAG | H10 | 81.0° | 70.7° |
| NAH | CAF | CAG | H11 | 159.4° | 168.7° |
| NAH | CAF | H12 | H13 | 118.5° | 120.1° |
| CAG | CAF | NAH | CAN | 61.9° | 71.4° |
| CAF | CAG | CAJ | H10 | 120.2° | 119.6° |
| CAF | CAG | CAJ | H11 | 120.2° | 119.7° |
| CAF | CAG | CAJ | CAK | 7.6° | 15.7° |
| CAF | CAG | CAJ | CAM | 170.6° | 164.2° |
| CAF | CAG | H10 | H11 | 119.5° | 120.7° |
| CAG | CAF | H12 | H13 | 118.6° | 120.0° |
| CAG | CAF | NAH | H14 | 178.2° | 52.9° |
| NAH | CAN | CAA | CAK | 119.9° | 119.0° |
| NAH | CAN | CAA | H4 | 119.5° | 120.6° |
| NAH | CAN | CAK | H4 | 122.2° | 119.9° |
| NAH | CAN | CAK | CAJ | 21.6° | 16.7° |
| NAH | CAN | CAK | NAI | 159.1° | 163.3° |
| NAH | CAN | CAA | H1 | 180.0° | 59.0° |
| NAH | CAN | CAA | H2 | 60.0° | 61.1° |
| NAH | CAN | CAA | H3 | 60.0° | 178.9° |
| CAN | NAH | CAF | H12 | 177.6° | 168.7° |
| CAN | NAH | CAF | H13 | 58.6° | 48.6° |
| CAG | CAJ | CAK | CAN | 1.0° | 0.2° |
| CAG | CAJ | CAK | CAM | 178.5° | 179.9° |
| CAG | CAJ | CAK | NAI | 178.4° | 179.8° |
| CAG | CAJ | CAM | CAE | 0.8° | 0.1° |
| CAG | CAJ | CAM | CAL | 177.4° | 179.8° |
| CAJ | CAG | H10 | H11 | 119.4° | 120.7° |
| CAJ | CAG | CAF | H12 | 159.7° | 168.9° |
| CAJ | CAG | CAF | H13 | 81.2° | 71.0° |
| CAA | CAN | CAK | H4 | 119.5° | 120.4° |
| CAA | CAN | CAK | CAJ | 96.7° | 136.4° |
| CAA | CAN | CAK | NAI | 82.6° | 43.6° |
| CAN | CAA | H1 | H2 | 120.0° | 120.0° |
| CAN | CAA | H1 | H3 | 120.0° | 120.0° |
| CAN | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAN | NAH | H14 | 52.7° | 47.1° |
| CAN | CAK | CAJ | NAI | 179.4° | 180.0° |
| CAN | CAK | CAJ | CAM | 179.5° | 179.9° |
| CAN | CAK | NAI | CAL | 178.6° | 179.9° |
| CAK | CAN | CAA | H1 | 60.1° | 60.0° |
| CAK | CAN | CAA | H2 | 59.9° | 180.0° |
| CAK | CAN | CAA | H3 | 179.8° | 60.0° |
| CAN | CAK | NAI | H5 | 1.4° | 0.1° |
| CAK | CAN | NAH | H14 | 170.8° | 72.6° |
| CAK | CAJ | CAM | CAE | 179.3° | 179.9° |
| CAK | CAJ | CAM | CAL | 1.0° | 0.1° |
| CAJ | CAK | NAI | CAL | 0.8° | 0.1° |
| CAJ | CAK | CAN | H4 | 143.8° | 103.2° |
| CAJ | CAK | NAI | H5 | 179.2° | 179.9° |
| CAK | CAJ | CAG | H10 | 112.6° | 103.9° |
| CAK | CAJ | CAG | H11 | 127.8° | 135.4° |
| CAM | CAJ | CAK | NAI | 0.1° | 0.1° |
| CAJ | CAM | CAE | CAL | 178.0° | 179.9° |
| CAJ | CAM | CAE | CAC | 179.9° | 179.9° |
| CAJ | CAM | CAL | NAI | 1.5° | 0.1° |
| CAJ | CAM | CAL | CAD | 179.8° | 179.9° |
| CAJ | CAM | CAE | H9 | 0.0° | 0.1° |
| CAM | CAJ | CAG | H10 | 69.2° | 76.2° |
| CAM | CAJ | CAG | H11 | 50.4° | 44.5° |
| CAK | NAI | CAL | CAM | 1.4° | 0.0° |
| CAK | NAI | CAL | H5 | 180.0° | 180.0° |
| CAK | NAI | CAL | CAD | 179.5° | 180.0° |
| NAI | CAK | CAN | H4 | 36.9° | 76.8° |
| CAM | CAE | CAC | H9 | 180.0° | 180.0° |
| CAE | CAM | CAL | NAI | 179.9° | 180.0° |
| CAE | CAM | CAL | CAD | 1.8° | 0.0° |
| CAM | CAE | CAC | CAB | 1.7° | 0.0° |
| CAM | CAE | CAC | H8 | 178.3° | 180.0° |
| CAC | CAE | CAM | CAL | 2.0° | 0.0° |
| CAE | CAC | CAB | H8 | 180.0° | 179.9° |
| CAE | CAC | CAB | CAD | 1.2° | 0.1° |
| CAE | CAC | CAB | H7 | 178.7° | 180.0° |
| CAM | CAL | NAI | CAD | 178.0° | 180.0° |
| CAM | CAL | CAD | CAB | 1.2° | 0.0° |
| CAM | CAL | NAI | H5 | 178.6° | 180.0° |
| CAM | CAL | CAD | H6 | 178.8° | 180.0° |
| CAL | CAM | CAE | H9 | 178.0° | 180.0° |
| NAI | CAL | CAD | CAB | 179.1° | 180.0° |
| NAI | CAL | CAD | H6 | 1.0° | 0.0° |
| CAL | CAD | CAB | CAC | 1.0° | 0.1° |
| CAL | CAD | CAB | H6 | 180.0° | 179.9° |
| CAD | CAL | NAI | H5 | 0.5° | 0.0° |
| CAL | CAD | CAB | H7 | 179.0° | 180.0° |
| CAC | CAB | CAD | H7 | 180.0° | 179.9° |
| CAC | CAB | CAD | H6 | 179.0° | 180.0° |
| CAB | CAC | CAE | H9 | 178.3° | 179.9° |
| CAD | CAB | CAC | H8 | 178.8° | 179.9° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAN | H4 | 60.5° | 179.6° |
| H2 | CAA | CAN | H4 | 179.5° | 59.6° |
| H3 | CAA | CAN | H4 | 59.5° | 60.4° |
| H4 | CAN | NAH | H14 | 66.4° | 167.6° |
| H6 | CAD | CAB | H7 | 1.0° | 0.1° |
| H7 | CAB | CAC | H8 | 1.2° | 0.1° |
| H8 | CAC | CAE | H9 | 1.7° | 0.0° |
| H10 | CAG | CAF | H12 | 39.5° | 49.3° |
| H10 | CAG | CAF | H13 | 158.6° | 169.3° |
| H11 | CAG | CAF | H12 | 80.1° | 71.4° |
| H11 | CAG | CAF | H13 | 38.9° | 48.7° |
| H12 | CAF | NAH | H14 | 57.8° | 67.1° |
| H13 | CAF | NAH | H14 | 61.3° | 172.9° |
