4NM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | SAH | sing | 1.81Å | 1.81Å | |
| CAA | C1 | sing | 1.51Å | 1.52Å | |
| CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | NAK | sing | 1.48Å | 1.41Å | |
| CAJ | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| NAK | OAC | sing | 1.22Å | 1.21Å | |
| NAK | OAB | doub | 1.22Å | 1.22Å | |
| CAG | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| SAH | HAH | sing | 1.35Å | 1.30Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SAH | CAA | C1 | 106.6° | 109.4° |
| SAH | CAA | HAA1 | 110.2° | 109.5° |
| SAH | CAA | HAA2 | 110.2° | 109.5° |
| CAA | SAH | HAH | 102.0° | 103.0° |
| CAA | C1 | CAD | 117.4° | 120.0° |
| CAA | C1 | CAE | 123.2° | 120.0° |
| C1 | CAA | HAA1 | 110.2° | 109.5° |
| C1 | CAA | HAA2 | 110.2° | 109.5° |
| CAF | CAD | C1 | 119.8° | 120.0° |
| CAD | CAF | CAJ | 121.2° | 120.0° |
| CAF | CAD | HAD | 120.1° | 120.0° |
| CAD | CAF | HAF | 119.4° | 120.0° |
| CAD | C1 | CAE | 119.4° | 119.9° |
| C1 | CAD | HAD | 120.1° | 119.9° |
| CAF | CAJ | NAK | 117.5° | 120.0° |
| CAF | CAJ | CAG | 119.5° | 120.0° |
| CAJ | CAF | HAF | 119.4° | 120.0° |
| NAK | CAJ | CAG | 122.9° | 120.0° |
| CAJ | NAK | OAC | 122.0° | 120.0° |
| CAJ | NAK | OAB | 119.8° | 120.0° |
| CAJ | CAG | CAE | 118.9° | 120.0° |
| CAJ | CAG | HAG | 120.6° | 120.0° |
| OAC | NAK | OAB | 118.0° | 119.9° |
| CAG | CAE | C1 | 121.2° | 120.0° |
| CAE | CAG | HAG | 120.6° | 120.0° |
| CAG | CAE | HAE | 119.4° | 120.0° |
| C1 | CAE | HAE | 119.4° | 119.9° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAH | CAA | C1 | HAA1 | 119.6° | 120.0° |
| SAH | CAA | C1 | HAA2 | 119.5° | 120.0° |
| SAH | CAA | C1 | CAD | 115.3° | 90.0° |
| SAH | CAA | C1 | CAE | 64.2° | 90.0° |
| SAH | CAA | HAA1 | HAA2 | 121.3° | 120.0° |
| CAA | C1 | CAD | CAF | 179.3° | 180.0° |
| CAA | C1 | CAD | CAE | 179.5° | 179.9° |
| CAA | C1 | CAE | CAG | 179.6° | 180.0° |
| C1 | CAA | HAA1 | HAA2 | 121.4° | 120.0° |
| C1 | CAA | SAH | HAH | 180.0° | 180.0° |
| CAA | C1 | CAD | HAD | 0.7° | 0.2° |
| CAA | C1 | CAE | HAE | 0.4° | 0.1° |
| CAF | CAD | C1 | HAD | 180.0° | 179.7° |
| CAD | CAF | CAJ | HAF | 180.0° | 179.9° |
| CAD | CAF | CAJ | NAK | 177.6° | 180.0° |
| CAD | CAF | CAJ | CAG | 0.8° | 0.1° |
| CAF | CAD | C1 | CAE | 0.2° | 0.0° |
| C1 | CAD | CAF | CAJ | 1.1° | 0.0° |
| CAD | C1 | CAE | CAG | 0.9° | 0.0° |
| CAD | C1 | CAA | HAA1 | 125.2° | 29.9° |
| CAD | C1 | CAA | HAA2 | 4.3° | 150.0° |
| C1 | CAD | CAF | HAF | 179.0° | 179.9° |
| CAD | C1 | CAE | HAE | 179.1° | 180.0° |
| CAF | CAJ | NAK | CAG | 178.3° | 179.9° |
| CAF | CAJ | NAK | OAC | 163.1° | 0.0° |
| CAF | CAJ | NAK | OAB | 11.9° | 179.9° |
| CAF | CAJ | CAG | CAE | 0.3° | 0.1° |
| CAJ | CAF | CAD | HAD | 178.9° | 179.7° |
| CAF | CAJ | CAG | HAG | 179.7° | 180.0° |
| CAJ | NAK | OAC | OAB | 175.1° | 180.0° |
| NAK | CAJ | CAG | CAE | 178.6° | 180.0° |
| NAK | CAJ | CAF | HAF | 2.4° | 0.1° |
| NAK | CAJ | CAG | HAG | 1.4° | 0.1° |
| CAG | CAJ | NAK | OAC | 15.2° | 180.0° |
| CAG | CAJ | NAK | OAB | 169.8° | 0.0° |
| CAJ | CAG | CAE | HAG | 180.0° | 179.9° |
| CAJ | CAG | CAE | C1 | 1.2° | 0.0° |
| CAG | CAJ | CAF | HAF | 179.2° | 180.0° |
| CAJ | CAG | CAE | HAE | 178.8° | 179.9° |
| CAG | CAE | C1 | HAE | 180.0° | 180.0° |
| CAE | C1 | CAA | HAA1 | 55.4° | 150.0° |
| CAE | C1 | CAA | HAA2 | 176.3° | 29.9° |
| CAE | C1 | CAD | HAD | 179.8° | 179.7° |
| C1 | CAE | CAG | HAG | 178.9° | 179.9° |
| HAA1 | CAA | SAH | HAH | 60.4° | 60.0° |
| HAA2 | CAA | SAH | HAH | 60.4° | 60.0° |
| HAD | CAD | CAF | HAF | 1.1° | 0.4° |
| HAG | CAG | CAE | HAE | 1.2° | 0.0° |
