Q0R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAB | CAK | sing | 1.35Å | 1.35Å | |
| CAK | CAJ | doub | 1.38Å | 1.36Å | Aromatic |
| CAK | CAM | sing | 1.39Å | 1.38Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.37Å | Aromatic |
| NAC | CAF | sing | 1.48Å | 1.50Å | |
| NAC | CAG | sing | 1.48Å | 1.42Å | |
| CAM | CAL | doub | 1.38Å | 1.37Å | Aromatic |
| CAF | CAH | sing | 1.51Å | 1.51Å | |
| CAF | CAD | sing | 1.55Å | 1.44Å | |
| CAH | CAI | doub | 1.38Å | 1.38Å | Aromatic |
| CAG | CAE | sing | 1.54Å | 1.54Å | |
| CAL | CAI | sing | 1.39Å | 1.37Å | Aromatic |
| CAI | FAA | sing | 1.35Å | 1.35Å | |
| CAD | CAE | sing | 1.55Å | 1.51Å | |
| CAD | H1 | sing | 1.09Å | 1.10Å | |
| CAD | H2 | sing | 1.09Å | 1.10Å | |
| CAE | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.09Å | 1.10Å | |
| CAF | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAL | H9 | sing | 1.08Å | 1.08Å | |
| CAM | H10 | sing | 1.08Å | 1.08Å | |
| NAC | H11 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAB | CAK | CAJ | 118.3° | 120.0° |
| FAB | CAK | CAM | 120.8° | 120.0° |
| CAJ | CAK | CAM | 120.9° | 120.0° |
| CAK | CAJ | CAH | 118.1° | 120.0° |
| CAK | CAJ | H8 | 120.9° | 120.0° |
| CAK | CAM | CAL | 121.1° | 120.0° |
| CAK | CAM | H10 | 119.5° | 120.0° |
| CAJ | CAH | CAF | 116.8° | 120.0° |
| CAJ | CAH | CAI | 121.6° | 120.0° |
| CAH | CAJ | H8 | 121.0° | 120.0° |
| CAF | NAC | CAG | 105.5° | 105.9° |
| NAC | CAF | CAH | 125.9° | 110.7° |
| NAC | CAF | CAD | 107.2° | 103.2° |
| NAC | CAF | H5 | 93.5° | 110.8° |
| CAF | NAC | H11 | 110.5° | 111.0° |
| NAC | CAG | CAE | 105.3° | 107.0° |
| NAC | CAG | H6 | 110.5° | 109.9° |
| NAC | CAG | H7 | 110.5° | 110.0° |
| CAG | NAC | H11 | 110.4° | 111.0° |
| CAM | CAL | CAI | 118.2° | 120.0° |
| CAM | CAL | H9 | 120.9° | 120.0° |
| CAL | CAM | H10 | 119.4° | 120.0° |
| CAH | CAF | CAD | 125.8° | 110.6° |
| CAF | CAH | CAI | 121.6° | 120.0° |
| CAH | CAF | H5 | 93.5° | 110.6° |
| CAF | CAD | CAE | 102.0° | 102.9° |
| CAF | CAD | H1 | 111.3° | 110.7° |
| CAF | CAD | H2 | 111.3° | 110.9° |
| CAD | CAF | H5 | 93.7° | 110.7° |
| CAH | CAI | CAL | 120.2° | 120.0° |
| CAH | CAI | FAA | 121.0° | 120.0° |
| CAG | CAE | CAD | 99.0° | 105.2° |
| CAG | CAE | H3 | 112.0° | 110.3° |
| CAG | CAE | H4 | 112.0° | 110.4° |
| CAE | CAG | H6 | 110.5° | 109.9° |
| CAE | CAG | H7 | 110.5° | 109.9° |
| CAL | CAI | FAA | 118.8° | 120.0° |
| CAI | CAL | H9 | 120.9° | 120.0° |
| CAE | CAD | H1 | 111.3° | 110.7° |
| CAE | CAD | H2 | 111.3° | 110.7° |
| CAD | CAE | H3 | 112.0° | 110.4° |
| CAD | CAE | H4 | 112.0° | 110.3° |
| H1 | CAD | H2 | 109.4° | 110.7° |
| H3 | CAE | H4 | 109.5° | 110.3° |
| H6 | CAG | H7 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAB | CAK | CAJ | CAM | 178.8° | 180.0° |
| FAB | CAK | CAJ | CAH | 179.0° | 180.0° |
| FAB | CAK | CAM | CAL | 179.0° | 179.7° |
| FAB | CAK | CAJ | H8 | 1.0° | 0.0° |
| FAB | CAK | CAM | H10 | 1.0° | 0.1° |
| CAK | CAJ | CAH | H8 | 180.0° | 180.0° |
| CAJ | CAK | CAM | CAL | 0.3° | 0.3° |
| CAK | CAJ | CAH | CAF | 179.8° | 180.0° |
| CAK | CAJ | CAH | CAI | 0.2° | 0.3° |
| CAJ | CAK | CAM | H10 | 179.8° | 180.0° |
| CAM | CAK | CAJ | CAH | 0.2° | 0.0° |
| CAK | CAM | CAL | H10 | 180.0° | 179.7° |
| CAK | CAM | CAL | CAI | 0.1° | 0.3° |
| CAM | CAK | CAJ | H8 | 179.8° | 180.0° |
| CAK | CAM | CAL | H9 | 179.9° | 179.8° |
| CAJ | CAH | CAF | NAC | 11.4° | 20.4° |
| CAJ | CAH | CAF | CAI | 179.6° | 179.7° |
| CAJ | CAH | CAF | CAD | 177.5° | 93.4° |
| CAJ | CAH | CAI | CAL | 0.6° | 0.3° |
| CAJ | CAH | CAI | FAA | 179.7° | 179.7° |
| CAJ | CAH | CAF | H5 | 85.4° | 143.6° |
| CAF | NAC | CAG | H11 | 119.4° | 120.5° |
| NAC | CAF | CAH | CAD | 166.1° | 113.8° |
| NAC | CAF | CAH | H5 | 96.9° | 123.2° |
| NAC | CAF | CAD | H5 | 94.8° | 118.6° |
| NAC | CAF | CAH | CAI | 169.0° | 159.3° |
| CAF | NAC | CAG | CAE | 20.1° | 25.3° |
| NAC | CAF | CAD | CAE | 34.2° | 37.4° |
| NAC | CAF | CAD | H1 | 84.6° | 80.9° |
| NAC | CAF | CAD | H2 | 153.0° | 155.8° |
| CAF | NAC | CAG | H6 | 139.4° | 94.0° |
| CAF | NAC | CAG | H7 | 99.2° | 144.7° |
| CAG | NAC | CAF | CAH | 159.5° | 157.6° |
| CAG | NAC | CAF | CAD | 8.7° | 39.2° |
| NAC | CAG | CAE | H6 | 119.3° | 119.3° |
| NAC | CAG | CAE | H7 | 119.4° | 119.5° |
| NAC | CAG | CAE | CAD | 40.1° | 1.2° |
| NAC | CAG | CAE | H3 | 78.2° | 120.2° |
| NAC | CAG | CAE | H4 | 158.3° | 117.7° |
| CAG | NAC | CAF | H5 | 103.7° | 79.3° |
| NAC | CAG | H6 | H7 | 122.0° | 121.3° |
| CAM | CAL | CAI | CAH | 0.5° | 0.0° |
| CAM | CAL | CAI | H9 | 180.0° | 179.9° |
| CAM | CAL | CAI | FAA | 179.7° | 180.0° |
| CAH | CAF | CAD | H5 | 97.0° | 123.0° |
| CAF | CAH | CAI | CAL | 179.8° | 179.9° |
| CAF | CAH | CAI | FAA | 0.1° | 0.1° |
| CAH | CAF | CAD | CAE | 134.1° | 155.9° |
| CAH | CAF | CAD | H1 | 107.1° | 37.5° |
| CAH | CAF | CAD | H2 | 15.3° | 85.7° |
| CAF | CAH | CAJ | H8 | 0.2° | 0.1° |
| CAH | CAF | NAC | H11 | 40.1° | 37.1° |
| CAD | CAF | CAH | CAI | 2.9° | 86.9° |
| CAF | CAD | CAE | CAG | 44.4° | 22.0° |
| CAF | CAD | CAE | H1 | 118.8° | 118.3° |
| CAF | CAD | CAE | H2 | 118.8° | 118.5° |
| CAF | CAD | H1 | H2 | 123.4° | 123.3° |
| CAF | CAD | CAE | H3 | 73.8° | 97.0° |
| CAF | CAD | CAE | H4 | 162.7° | 141.0° |
| CAD | CAF | NAC | H11 | 128.1° | 81.3° |
| CAH | CAI | CAL | FAA | 179.7° | 180.0° |
| CAI | CAH | CAF | H5 | 94.2° | 36.1° |
| CAI | CAH | CAJ | H8 | 179.8° | 179.8° |
| CAH | CAI | CAL | H9 | 179.5° | 179.9° |
| CAG | CAE | CAD | H3 | 118.3° | 118.9° |
| CAG | CAE | CAD | H4 | 118.2° | 119.0° |
| CAG | CAE | CAD | H1 | 74.4° | 96.4° |
| CAG | CAE | CAD | H2 | 163.2° | 140.5° |
| CAG | CAE | H3 | H4 | 124.8° | 122.2° |
| CAE | CAG | H6 | H7 | 121.9° | 121.2° |
| CAE | CAG | NAC | H11 | 99.3° | 95.2° |
| CAI | CAL | CAM | H10 | 179.8° | 180.0° |
| FAA | CAI | CAL | H9 | 0.2° | 0.1° |
| CAE | CAD | H1 | H2 | 123.5° | 123.2° |
| CAD | CAE | H3 | H4 | 124.9° | 122.1° |
| CAE | CAD | CAF | H5 | 129.0° | 81.2° |
| CAD | CAE | CAG | H6 | 159.4° | 118.1° |
| CAD | CAE | CAG | H7 | 79.3° | 120.7° |
| H1 | CAD | CAE | H3 | 167.3° | 144.7° |
| H1 | CAD | CAE | H4 | 43.8° | 22.6° |
| H1 | CAD | CAF | H5 | 10.2° | 160.5° |
| H2 | CAD | CAE | H3 | 44.9° | 21.5° |
| H2 | CAD | CAE | H4 | 78.6° | 100.5° |
| H2 | CAD | CAF | H5 | 112.2° | 37.2° |
| H3 | CAE | CAG | H6 | 41.1° | 0.8° |
| H3 | CAE | CAG | H7 | 162.4° | 120.3° |
| H4 | CAE | CAG | H6 | 82.3° | 122.9° |
| H4 | CAE | CAG | H7 | 39.0° | 1.8° |
| H5 | CAF | NAC | H11 | 137.0° | 160.2° |
| H6 | CAG | NAC | H11 | 20.0° | 145.5° |
| H7 | CAG | NAC | H11 | 141.4° | 24.2° |
| H9 | CAL | CAM | H10 | 0.1° | 0.1° |
