15N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAC | doub | 1.38Å | 1.36Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAF | CAL | doub | 1.39Å | 1.37Å | Aromatic |
| CAE | CAK | doub | 1.39Å | 1.37Å | Aromatic |
| CAL | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | OAI | sing | 1.36Å | 1.36Å | |
| CAK | OAH | sing | 1.36Å | 1.37Å | |
| OAI | CAM | sing | 1.43Å | 1.41Å | |
| OAH | CAG | sing | 1.43Å | 1.41Å | |
| CAM | CAG | sing | 1.53Å | 1.50Å | |
| CAM | CAJ | sing | 1.51Å | 1.52Å | |
| OAB | CAJ | doub | 1.21Å | 1.19Å | |
| CAJ | OAA | sing | 1.34Å | 1.25Å | |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAC | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAD | CAF | 120.4° | 120.1° |
| CAD | CAC | CAE | 120.4° | 120.1° |
| CAC | CAD | H4 | 119.8° | 119.9° |
| CAD | CAC | H5 | 119.8° | 120.0° |
| CAD | CAF | CAL | 119.6° | 120.1° |
| CAD | CAF | H3 | 120.2° | 120.0° |
| CAF | CAD | H4 | 119.8° | 120.0° |
| CAC | CAE | CAK | 119.6° | 120.0° |
| CAE | CAC | H5 | 119.8° | 119.9° |
| CAC | CAE | H6 | 120.2° | 120.0° |
| CAF | CAL | CAK | 119.9° | 119.8° |
| CAF | CAL | OAI | 116.2° | 119.4° |
| CAL | CAF | H3 | 120.2° | 119.9° |
| CAE | CAK | CAL | 120.0° | 119.8° |
| CAE | CAK | OAH | 117.4° | 119.4° |
| CAK | CAE | H6 | 120.2° | 120.0° |
| CAK | CAL | OAI | 123.7° | 120.8° |
| CAL | CAK | OAH | 122.6° | 120.8° |
| CAL | OAI | CAM | 113.6° | 116.7° |
| CAK | OAH | CAG | 118.6° | 116.7° |
| OAI | CAM | CAG | 121.8° | 108.2° |
| OAI | CAM | CAJ | 108.6° | 109.8° |
| OAI | CAM | H2 | 101.4° | 109.7° |
| OAH | CAG | CAM | 113.3° | 108.3° |
| OAH | CAG | H7 | 108.5° | 109.7° |
| OAH | CAG | H8 | 108.5° | 109.7° |
| CAG | CAM | CAJ | 119.0° | 109.7° |
| CAG | CAM | H2 | 100.7° | 109.7° |
| CAM | CAG | H7 | 108.5° | 109.7° |
| CAM | CAG | H8 | 108.5° | 109.7° |
| CAM | CAJ | OAB | 124.8° | 120.0° |
| CAM | CAJ | OAA | 110.2° | 120.0° |
| CAJ | CAM | H2 | 100.6° | 109.7° |
| OAB | CAJ | OAA | 125.0° | 120.0° |
| CAJ | OAA | H1 | 109.5° | 117.0° |
| H7 | CAG | H8 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAD | CAF | H4 | 180.0° | 179.9° |
| CAD | CAC | CAE | H5 | 180.0° | 180.0° |
| CAC | CAD | CAF | CAL | 0.3° | 0.1° |
| CAD | CAC | CAE | CAK | 1.1° | 0.1° |
| CAC | CAD | CAF | H3 | 179.7° | 179.9° |
| CAD | CAC | CAE | H6 | 178.9° | 180.0° |
| CAF | CAD | CAC | CAE | 2.1° | 0.2° |
| CAD | CAF | CAL | H3 | 180.0° | 180.0° |
| CAD | CAF | CAL | CAK | 2.4° | 0.1° |
| CAD | CAF | CAL | OAI | 179.0° | 179.8° |
| CAF | CAD | CAC | H5 | 177.9° | 179.9° |
| CAC | CAE | CAK | H6 | 180.0° | 180.0° |
| CAC | CAE | CAK | CAL | 1.6° | 0.1° |
| CAC | CAE | CAK | OAH | 179.4° | 179.6° |
| CAE | CAC | CAD | H4 | 177.9° | 179.9° |
| CAF | CAL | CAK | CAE | 3.4° | 0.2° |
| CAF | CAL | CAK | OAI | 176.2° | 179.8° |
| CAF | CAL | CAK | OAH | 177.7° | 179.6° |
| CAF | CAL | OAI | CAM | 168.8° | 162.7° |
| CAL | CAF | CAD | H4 | 179.7° | 180.0° |
| CAE | CAK | CAL | OAH | 178.9° | 179.7° |
| CAE | CAK | CAL | OAI | 179.7° | 179.7° |
| CAE | CAK | OAH | CAG | 173.0° | 163.0° |
| CAK | CAE | CAC | H5 | 178.9° | 180.0° |
| CAK | CAL | OAI | CAM | 7.6° | 17.5° |
| CAL | CAK | OAH | CAG | 5.9° | 17.3° |
| CAK | CAL | CAF | H3 | 177.5° | 179.9° |
| CAL | CAK | CAE | H6 | 178.4° | 179.9° |
| OAI | CAL | CAK | OAH | 1.5° | 0.6° |
| CAL | OAI | CAM | CAG | 24.1° | 46.3° |
| CAL | OAI | CAM | CAJ | 168.3° | 166.0° |
| CAL | OAI | CAM | H2 | 86.3° | 73.3° |
| OAI | CAL | CAF | H3 | 1.0° | 0.2° |
| CAK | OAH | CAG | CAM | 20.2° | 46.2° |
| OAH | CAK | CAE | H6 | 0.5° | 0.4° |
| CAK | OAH | CAG | H7 | 100.4° | 165.9° |
| CAK | OAH | CAG | H8 | 140.7° | 73.5° |
| OAI | CAM | CAG | OAH | 30.8° | 59.7° |
| OAI | CAM | CAG | CAJ | 140.6° | 119.7° |
| OAI | CAM | CAG | H2 | 110.8° | 119.7° |
| OAI | CAM | CAJ | H2 | 106.0° | 120.6° |
| OAI | CAM | CAJ | OAB | 14.8° | 3.8° |
| OAI | CAM | CAJ | OAA | 167.9° | 176.3° |
| OAI | CAM | CAG | H7 | 89.7° | 179.4° |
| OAI | CAM | CAG | H8 | 151.4° | 60.0° |
| OAH | CAG | CAM | H7 | 120.6° | 119.7° |
| OAH | CAG | CAM | H8 | 120.6° | 119.7° |
| OAH | CAG | CAM | CAJ | 171.5° | 179.4° |
| OAH | CAG | CAM | H2 | 79.9° | 60.0° |
| OAH | CAG | H7 | H8 | 118.3° | 120.5° |
| CAG | CAM | CAJ | H2 | 108.7° | 120.6° |
| CAG | CAM | CAJ | OAB | 160.1° | 115.0° |
| CAG | CAM | CAJ | OAA | 22.5° | 64.9° |
| CAM | CAG | H7 | H8 | 118.2° | 120.6° |
| CAM | CAJ | OAB | OAA | 177.0° | 179.9° |
| CAM | CAJ | OAA | H1 | 177.3° | 180.0° |
| CAJ | CAM | CAG | H7 | 50.9° | 60.9° |
| CAJ | CAM | CAG | H8 | 67.9° | 59.7° |
| OAB | CAJ | OAA | H1 | 0.0° | 0.1° |
| OAB | CAJ | CAM | H2 | 91.2° | 124.4° |
| OAA | CAJ | CAM | H2 | 86.1° | 55.7° |
| H2 | CAM | CAG | H7 | 159.5° | 59.7° |
| H2 | CAM | CAG | H8 | 40.6° | 179.7° |
| H3 | CAF | CAD | H4 | 0.2° | 0.0° |
| H4 | CAD | CAC | H5 | 2.0° | 0.0° |
| H5 | CAC | CAE | H6 | 1.1° | 0.0° |
