5WV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAI | sing | 1.51Å | 1.40Å | |
| CAG | NAK | sing | 1.47Å | 1.48Å | |
| CAE | CAI | doub | 1.38Å | 1.35Å | Aromatic |
| CAE | CAC | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | CAJ | sing | 1.40Å | 1.36Å | Aromatic |
| CAA | NAK | sing | 1.47Å | 1.47Å | |
| NAK | CAH | sing | 1.34Å | 1.32Å | |
| CAC | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAH | sing | 1.48Å | 1.34Å | |
| CAJ | CAF | doub | 1.40Å | 1.35Å | Aromatic |
| CAH | OAB | doub | 1.22Å | 1.23Å | |
| CAD | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAG | NAK | 104.4° | 106.3° |
| CAG | CAI | CAE | 130.2° | 133.3° |
| CAG | CAI | CAJ | 108.5° | 106.4° |
| CAI | CAG | H5 | 110.7° | 110.1° |
| CAI | CAG | H6 | 110.7° | 110.1° |
| CAG | NAK | CAA | 125.6° | 125.6° |
| CAG | NAK | CAH | 106.3° | 108.8° |
| NAK | CAG | H5 | 110.7° | 110.2° |
| NAK | CAG | H6 | 110.7° | 109.9° |
| CAI | CAE | CAC | 120.3° | 119.9° |
| CAE | CAI | CAJ | 121.3° | 120.3° |
| CAI | CAE | H4 | 119.8° | 120.0° |
| CAE | CAC | CAD | 118.5° | 120.2° |
| CAE | CAC | H3 | 120.8° | 119.9° |
| CAC | CAE | H4 | 119.9° | 120.0° |
| CAI | CAJ | CAH | 108.7° | 108.3° |
| CAI | CAJ | CAF | 120.4° | 119.4° |
| CAA | NAK | CAH | 128.1° | 125.6° |
| NAK | CAA | H7 | 109.5° | 109.5° |
| NAK | CAA | H8 | 109.5° | 109.5° |
| NAK | CAA | H9 | 109.5° | 109.5° |
| NAK | CAH | CAJ | 112.0° | 110.3° |
| NAK | CAH | OAB | 123.5° | 124.8° |
| CAC | CAD | CAF | 119.1° | 120.3° |
| CAC | CAD | H2 | 120.5° | 119.8° |
| CAD | CAC | H3 | 120.8° | 120.0° |
| CAH | CAJ | CAF | 130.8° | 132.3° |
| CAJ | CAH | OAB | 124.5° | 124.9° |
| CAJ | CAF | CAD | 120.4° | 119.8° |
| CAJ | CAF | H1 | 119.8° | 120.1° |
| CAD | CAF | H1 | 119.8° | 120.1° |
| CAF | CAD | H2 | 120.4° | 119.9° |
| H5 | CAG | H6 | 109.5° | 110.1° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H9 | 109.4° | 109.4° |
| H8 | CAA | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAG | NAK | H5 | 119.2° | 119.3° |
| CAI | CAG | NAK | H6 | 119.2° | 119.1° |
| CAG | CAI | CAE | CAJ | 179.9° | 179.9° |
| CAG | CAI | CAE | CAC | 179.6° | 180.0° |
| CAI | CAG | NAK | CAA | 179.3° | 180.0° |
| CAI | CAG | NAK | CAH | 2.1° | 0.4° |
| CAG | CAI | CAJ | CAH | 0.3° | 0.0° |
| CAG | CAI | CAJ | CAF | 179.4° | 180.0° |
| CAG | CAI | CAE | H4 | 0.4° | 0.0° |
| CAI | CAG | H5 | H6 | 122.3° | 121.6° |
| NAK | CAG | CAI | CAE | 178.5° | 179.8° |
| NAK | CAG | CAI | CAJ | 1.4° | 0.2° |
| CAG | NAK | CAA | CAH | 178.3° | 179.6° |
| CAG | NAK | CAH | CAJ | 2.0° | 0.4° |
| CAG | NAK | CAH | OAB | 179.5° | 179.9° |
| NAK | CAG | H5 | H6 | 122.3° | 121.4° |
| CAG | NAK | CAA | H7 | 180.0° | 90.0° |
| CAG | NAK | CAA | H8 | 60.0° | 150.0° |
| CAG | NAK | CAA | H9 | 60.0° | 30.0° |
| CAI | CAE | CAC | H4 | 180.0° | 180.0° |
| CAI | CAE | CAC | CAD | 0.0° | 0.0° |
| CAE | CAI | CAJ | CAH | 179.6° | 180.0° |
| CAE | CAI | CAJ | CAF | 0.6° | 0.1° |
| CAI | CAE | CAC | H3 | 180.0° | 179.9° |
| CAE | CAI | CAG | H5 | 59.3° | 60.8° |
| CAE | CAI | CAG | H6 | 62.3° | 60.8° |
| CAC | CAE | CAI | CAJ | 0.4° | 0.1° |
| CAE | CAC | CAD | H3 | 180.0° | 180.0° |
| CAE | CAC | CAD | CAF | 0.1° | 0.0° |
| CAE | CAC | CAD | H2 | 179.9° | 180.0° |
| CAI | CAJ | CAH | NAK | 1.1° | 0.2° |
| CAI | CAJ | CAH | CAF | 178.9° | 179.9° |
| CAI | CAJ | CAH | OAB | 178.5° | 180.0° |
| CAI | CAJ | CAF | CAD | 0.4° | 0.0° |
| CAI | CAJ | CAF | H1 | 179.5° | 180.0° |
| CAJ | CAI | CAE | H4 | 179.7° | 179.9° |
| CAJ | CAI | CAG | H5 | 120.6° | 119.1° |
| CAJ | CAI | CAG | H6 | 117.8° | 119.3° |
| CAA | NAK | CAH | CAJ | 179.4° | 180.0° |
| CAA | NAK | CAH | OAB | 2.0° | 0.2° |
| CAA | NAK | CAG | H5 | 60.1° | 60.7° |
| CAA | NAK | CAG | H6 | 61.5° | 60.8° |
| NAK | CAA | H7 | H8 | 120.0° | 120.0° |
| NAK | CAA | H7 | H9 | 120.0° | 120.0° |
| NAK | CAA | H8 | H9 | 120.0° | 120.0° |
| NAK | CAH | CAJ | OAB | 177.4° | 179.8° |
| NAK | CAH | CAJ | CAF | 177.8° | 179.7° |
| CAH | NAK | CAG | H5 | 121.3° | 119.0° |
| CAH | NAK | CAG | H6 | 117.1° | 119.5° |
| CAH | NAK | CAA | H7 | 1.7° | 90.4° |
| CAH | NAK | CAA | H8 | 121.7° | 29.6° |
| CAH | NAK | CAA | H9 | 118.3° | 149.6° |
| CAC | CAD | CAF | CAJ | 0.1° | 0.0° |
| CAC | CAD | CAF | H2 | 180.0° | 180.0° |
| CAC | CAD | CAF | H1 | 179.9° | 180.0° |
| CAD | CAC | CAE | H4 | 180.0° | 180.0° |
| CAH | CAJ | CAF | CAD | 179.2° | 180.0° |
| CAH | CAJ | CAF | H1 | 0.7° | 0.1° |
| CAF | CAJ | CAH | OAB | 0.4° | 0.0° |
| CAJ | CAF | CAD | H1 | 180.0° | 180.0° |
| CAJ | CAF | CAD | H2 | 179.9° | 180.0° |
| CAF | CAD | CAC | H3 | 179.9° | 180.0° |
| H1 | CAF | CAD | H2 | 0.1° | 0.1° |
| H2 | CAD | CAC | H3 | 0.1° | 0.0° |
| H3 | CAC | CAE | H4 | 0.0° | 0.0° |
| H7 | CAA | H8 | H9 | 120.0° | 120.0° |
