2NB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAG | doub | 1.36Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAD | CAF | doub | 1.36Å | 1.38Å | Aromatic |
| NAA | CAJ | sing | 1.39Å | 1.33Å | |
| CAM | CAJ | doub | 1.42Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.42Å | 1.39Å | Aromatic |
| CAF | CAL | sing | 1.41Å | 1.38Å | Aromatic |
| CAJ | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | NAI | doub | 1.34Å | 1.34Å | Aromatic |
| CAK | NAN | sing | 1.48Å | 1.32Å | |
| CAK | CAH | doub | 1.39Å | 1.38Å | Aromatic |
| NAI | CAH | sing | 1.31Å | 1.38Å | Aromatic |
| OAB | NAN | sing | 1.22Å | 1.28Å | |
| NAN | OAC | doub | 1.22Å | 1.28Å | |
| CAH | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| NAA | H6 | sing | 0.97Å | 1.00Å | |
| NAA | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAE | CAD | 120.9° | 120.8° |
| CAE | CAG | CAM | 119.5° | 119.7° |
| CAG | CAE | H4 | 119.6° | 119.6° |
| CAE | CAG | H5 | 120.2° | 120.2° |
| CAE | CAD | CAF | 119.4° | 121.1° |
| CAE | CAD | H3 | 120.3° | 119.5° |
| CAD | CAE | H4 | 119.5° | 119.6° |
| CAG | CAM | CAJ | 122.2° | 121.4° |
| CAG | CAM | CAL | 119.5° | 119.7° |
| CAM | CAG | H5 | 120.2° | 120.1° |
| CAD | CAF | CAL | 119.9° | 119.7° |
| CAD | CAF | H2 | 120.0° | 120.1° |
| CAF | CAD | H3 | 120.3° | 119.4° |
| NAA | CAJ | CAM | 119.6° | 121.0° |
| NAA | CAJ | CAK | 120.1° | 121.1° |
| CAJ | NAA | H6 | 109.5° | 120.0° |
| CAJ | NAA | H7 | 109.5° | 120.0° |
| CAJ | CAM | CAL | 118.3° | 118.9° |
| CAM | CAJ | CAK | 120.3° | 117.9° |
| CAM | CAL | CAF | 120.7° | 119.1° |
| CAM | CAL | NAI | 121.1° | 119.9° |
| CAF | CAL | NAI | 118.2° | 121.0° |
| CAL | CAF | H2 | 120.0° | 120.2° |
| CAJ | CAK | NAN | 120.9° | 120.1° |
| CAJ | CAK | CAH | 119.6° | 119.7° |
| CAL | NAI | CAH | 121.4° | 121.7° |
| NAN | CAK | CAH | 119.5° | 120.2° |
| CAK | NAN | OAB | 120.0° | 120.0° |
| CAK | NAN | OAC | 117.7° | 119.9° |
| CAK | CAH | NAI | 119.3° | 121.8° |
| CAK | CAH | H1 | 120.3° | 119.1° |
| NAI | CAH | H1 | 120.3° | 119.1° |
| OAB | NAN | OAC | 121.9° | 120.0° |
| H6 | NAA | H7 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAE | CAD | H4 | 180.0° | 180.0° |
| CAE | CAG | CAM | H5 | 180.0° | 179.9° |
| CAG | CAE | CAD | CAF | 0.4° | 0.0° |
| CAE | CAG | CAM | CAJ | 179.7° | 179.8° |
| CAE | CAG | CAM | CAL | 0.6° | 0.0° |
| CAG | CAE | CAD | H3 | 179.6° | 180.0° |
| CAD | CAE | CAG | CAM | 0.6° | 0.0° |
| CAE | CAD | CAF | H3 | 180.0° | 180.0° |
| CAE | CAD | CAF | CAL | 0.2° | 0.0° |
| CAE | CAD | CAF | H2 | 179.8° | 179.9° |
| CAD | CAE | CAG | H5 | 179.4° | 179.9° |
| CAG | CAM | CAJ | NAA | 0.3° | 0.0° |
| CAG | CAM | CAJ | CAL | 179.7° | 179.8° |
| CAG | CAM | CAL | CAF | 0.5° | 0.0° |
| CAG | CAM | CAJ | CAK | 179.7° | 179.8° |
| CAG | CAM | CAL | NAI | 179.6° | 180.0° |
| CAM | CAG | CAE | H4 | 179.4° | 180.0° |
| CAD | CAF | CAL | CAM | 0.3° | 0.0° |
| CAD | CAF | CAL | H2 | 180.0° | 180.0° |
| CAD | CAF | CAL | NAI | 179.8° | 180.0° |
| CAF | CAD | CAE | H4 | 179.6° | 179.9° |
| NAA | CAJ | CAM | CAK | 180.0° | 179.8° |
| NAA | CAJ | CAM | CAL | 180.0° | 179.8° |
| NAA | CAJ | CAK | NAN | 0.4° | 0.0° |
| NAA | CAJ | CAK | CAH | 179.8° | 179.7° |
| CAJ | NAA | H6 | H7 | 120.0° | 180.0° |
| CAJ | CAM | CAL | CAF | 179.8° | 179.8° |
| CAJ | CAM | CAL | NAI | 0.1° | 0.2° |
| CAM | CAJ | CAK | NAN | 179.7° | 179.8° |
| CAM | CAJ | CAK | CAH | 0.1° | 0.4° |
| CAJ | CAM | CAG | H5 | 0.3° | 0.3° |
| CAM | CAJ | NAA | H6 | 180.0° | 7.6° |
| CAM | CAJ | NAA | H7 | 60.0° | 172.3° |
| CAM | CAL | CAF | NAI | 179.9° | 180.0° |
| CAL | CAM | CAJ | CAK | 0.0° | 0.4° |
| CAM | CAL | NAI | CAH | 0.1° | 0.0° |
| CAM | CAL | CAF | H2 | 179.7° | 180.0° |
| CAL | CAM | CAG | H5 | 179.4° | 179.9° |
| CAF | CAL | NAI | CAH | 180.0° | 180.0° |
| CAL | CAF | CAD | H3 | 179.8° | 180.0° |
| CAJ | CAK | NAN | CAH | 179.8° | 179.8° |
| CAJ | CAK | CAH | NAI | 0.3° | 0.3° |
| CAJ | CAK | NAN | OAB | 37.3° | 37.4° |
| CAJ | CAK | NAN | OAC | 150.1° | 142.3° |
| CAJ | CAK | CAH | H1 | 179.7° | 179.8° |
| CAK | CAJ | NAA | H6 | 0.0° | 172.2° |
| CAK | CAJ | NAA | H7 | 120.0° | 7.9° |
| CAL | NAI | CAH | CAK | 0.3° | 0.0° |
| CAL | NAI | CAH | H1 | 179.7° | 180.0° |
| NAI | CAL | CAF | H2 | 0.2° | 0.1° |
| NAN | CAK | CAH | NAI | 179.5° | 180.0° |
| CAK | NAN | OAB | OAC | 172.3° | 179.7° |
| NAN | CAK | CAH | H1 | 0.5° | 0.0° |
| CAK | CAH | NAI | H1 | 180.0° | 179.9° |
| CAH | CAK | NAN | OAB | 142.6° | 142.8° |
| CAH | CAK | NAN | OAC | 30.1° | 37.4° |
| H2 | CAF | CAD | H3 | 0.2° | 0.0° |
| H3 | CAD | CAE | H4 | 0.4° | 0.0° |
| H4 | CAE | CAG | H5 | 0.6° | 0.0° |
