4M0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAI | sing | 1.51Å | 1.40Å | |
| CAG | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| NAB | CAJ | sing | 1.39Å | 1.34Å | |
| CAJ | CAK | doub | 1.40Å | 1.42Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | CAF | sing | 1.40Å | 1.40Å | Aromatic |
| CAK | CAH | sing | 1.47Å | 1.40Å | |
| OAC | CAH | doub | 1.22Å | 1.27Å | |
| CAH | OAD | sing | 1.35Å | 1.25Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| NAB | H8 | sing | 0.97Å | 1.00Å | |
| NAB | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAI | CAG | 120.6° | 119.7° |
| CAA | CAI | CAE | 120.1° | 119.8° |
| CAI | CAA | H4 | 109.5° | 109.4° |
| CAI | CAA | H5 | 109.5° | 109.5° |
| CAI | CAA | H6 | 109.5° | 109.4° |
| CAI | CAG | CAJ | 120.3° | 120.1° |
| CAG | CAI | CAE | 119.3° | 120.4° |
| CAI | CAG | H7 | 119.9° | 120.0° |
| CAG | CAJ | NAB | 119.1° | 120.2° |
| CAG | CAJ | CAK | 121.2° | 119.6° |
| CAJ | CAG | H7 | 119.8° | 120.0° |
| CAI | CAE | CAF | 120.3° | 120.4° |
| CAI | CAE | H3 | 119.8° | 119.8° |
| NAB | CAJ | CAK | 119.7° | 120.2° |
| CAJ | NAB | H8 | 109.5° | 120.0° |
| CAJ | NAB | H9 | 109.5° | 120.0° |
| CAJ | CAK | CAF | 117.3° | 119.6° |
| CAJ | CAK | CAH | 125.3° | 120.2° |
| CAE | CAF | CAK | 121.6° | 119.9° |
| CAE | CAF | H2 | 119.2° | 120.0° |
| CAF | CAE | H3 | 119.9° | 119.9° |
| CAF | CAK | CAH | 117.4° | 120.2° |
| CAK | CAF | H2 | 119.2° | 120.0° |
| CAK | CAH | OAC | 123.6° | 120.0° |
| CAK | CAH | OAD | 117.8° | 120.0° |
| OAC | CAH | OAD | 118.5° | 120.0° |
| CAH | OAD | H1 | 109.5° | 117.0° |
| H4 | CAA | H5 | 109.4° | 109.5° |
| H4 | CAA | H6 | 109.5° | 109.5° |
| H5 | CAA | H6 | 109.5° | 109.5° |
| H8 | NAB | H9 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAI | CAG | CAE | 179.5° | 180.0° |
| CAA | CAI | CAG | CAJ | 178.6° | 179.7° |
| CAA | CAI | CAE | CAF | 179.0° | 180.0° |
| CAA | CAI | CAE | H3 | 0.9° | 0.0° |
| CAI | CAA | H4 | H5 | 120.0° | 120.0° |
| CAI | CAA | H4 | H6 | 120.0° | 119.9° |
| CAI | CAA | H5 | H6 | 120.0° | 120.0° |
| CAA | CAI | CAG | H7 | 1.4° | 0.0° |
| CAI | CAG | CAJ | H7 | 180.0° | 179.8° |
| CAI | CAG | CAJ | NAB | 178.8° | 180.0° |
| CAI | CAG | CAJ | CAK | 1.2° | 0.5° |
| CAG | CAI | CAE | CAF | 0.4° | 0.0° |
| CAG | CAI | CAE | H3 | 179.6° | 180.0° |
| CAG | CAI | CAA | H4 | 90.3° | 90.0° |
| CAG | CAI | CAA | H5 | 149.7° | 30.0° |
| CAG | CAI | CAA | H6 | 29.7° | 150.0° |
| CAJ | CAG | CAI | CAE | 0.8° | 0.3° |
| CAG | CAJ | NAB | CAK | 180.0° | 179.5° |
| CAG | CAJ | CAK | CAF | 1.1° | 0.5° |
| CAG | CAJ | CAK | CAH | 179.8° | 179.7° |
| CAG | CAJ | NAB | H8 | 180.0° | 5.4° |
| CAG | CAJ | NAB | H9 | 60.0° | 174.5° |
| CAI | CAE | CAF | H3 | 180.0° | 180.0° |
| CAI | CAE | CAF | CAK | 0.4° | 0.0° |
| CAI | CAE | CAF | H2 | 179.7° | 180.0° |
| CAE | CAI | CAA | H4 | 90.2° | 90.0° |
| CAE | CAI | CAA | H5 | 29.7° | 150.0° |
| CAE | CAI | CAA | H6 | 149.7° | 29.9° |
| CAE | CAI | CAG | H7 | 179.2° | 180.0° |
| NAB | CAJ | CAK | CAF | 178.9° | 180.0° |
| NAB | CAJ | CAK | CAH | 0.2° | 0.2° |
| NAB | CAJ | CAG | H7 | 1.2° | 0.2° |
| CAJ | NAB | H8 | H9 | 120.0° | 179.9° |
| CAJ | CAK | CAF | CAE | 0.7° | 0.3° |
| CAJ | CAK | CAF | CAH | 179.2° | 179.8° |
| CAJ | CAK | CAH | OAC | 1.4° | 6.1° |
| CAJ | CAK | CAH | OAD | 179.2° | 173.6° |
| CAJ | CAK | CAF | H2 | 179.3° | 179.7° |
| CAK | CAJ | CAG | H7 | 178.8° | 179.7° |
| CAK | CAJ | NAB | H8 | 0.0° | 175.1° |
| CAK | CAJ | NAB | H9 | 120.0° | 5.0° |
| CAE | CAF | CAK | H2 | 180.0° | 180.0° |
| CAE | CAF | CAK | CAH | 179.9° | 180.0° |
| CAF | CAK | CAH | OAC | 177.7° | 174.2° |
| CAF | CAK | CAH | OAD | 1.7° | 6.2° |
| CAK | CAF | CAE | H3 | 179.7° | 180.0° |
| CAK | CAH | OAC | OAD | 179.4° | 179.7° |
| CAK | CAH | OAD | H1 | 179.4° | 179.7° |
| CAH | CAK | CAF | H2 | 0.1° | 0.0° |
| OAC | CAH | OAD | H1 | 0.0° | 0.1° |
| H2 | CAF | CAE | H3 | 0.3° | 0.0° |
| H4 | CAA | H5 | H6 | 120.0° | 120.0° |
