6R7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAB | doub | 1.21Å | 1.25Å | |
| OAC | CAB | sing | 1.35Å | 1.25Å | |
| CAB | CAD | sing | 1.47Å | 1.38Å | |
| OAJ | CAI | sing | 1.36Å | 1.36Å | |
| CAD | CAI | doub | 1.40Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.40Å | 1.38Å | Aromatic |
| CAI | CAH | sing | 1.39Å | 1.38Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | NAK | sing | 1.48Å | 1.33Å | |
| OAL | NAK | sing | 1.22Å | 1.34Å | |
| NAK | OAM | doub | 1.22Å | 1.31Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| OAJ | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAB | OAC | 120.8° | 120.0° |
| OAA | CAB | CAD | 118.9° | 120.0° |
| OAC | CAB | CAD | 120.3° | 120.0° |
| CAB | OAC | H1 | 109.5° | 117.0° |
| CAB | CAD | CAI | 119.9° | 120.2° |
| CAB | CAD | CAE | 119.8° | 120.2° |
| OAJ | CAI | CAD | 116.6° | 120.2° |
| OAJ | CAI | CAH | 122.4° | 120.1° |
| CAI | OAJ | H5 | 109.5° | 114.0° |
| CAI | CAD | CAE | 120.3° | 119.6° |
| CAD | CAI | CAH | 121.0° | 119.7° |
| CAD | CAE | CAF | 119.5° | 119.9° |
| CAD | CAE | H2 | 120.2° | 120.0° |
| CAI | CAH | CAG | 118.3° | 120.1° |
| CAI | CAH | H4 | 120.8° | 119.9° |
| CAE | CAF | CAG | 120.0° | 120.3° |
| CAE | CAF | NAK | 118.6° | 119.8° |
| CAF | CAE | H2 | 120.3° | 120.1° |
| CAH | CAG | CAF | 120.8° | 120.4° |
| CAH | CAG | H3 | 119.6° | 119.8° |
| CAG | CAH | H4 | 120.8° | 120.0° |
| CAG | CAF | NAK | 121.4° | 119.8° |
| CAF | CAG | H3 | 119.6° | 119.8° |
| CAF | NAK | OAL | 118.8° | 120.0° |
| CAF | NAK | OAM | 119.2° | 120.0° |
| OAL | NAK | OAM | 121.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAB | OAC | CAD | 179.4° | 179.8° |
| OAA | CAB | CAD | CAI | 0.4° | 0.1° |
| OAA | CAB | CAD | CAE | 179.6° | 179.8° |
| OAA | CAB | OAC | H1 | 0.0° | 0.0° |
| OAC | CAB | CAD | CAI | 179.8° | 179.7° |
| OAC | CAB | CAD | CAE | 0.2° | 0.1° |
| CAB | CAD | CAI | OAJ | 0.3° | 0.0° |
| CAB | CAD | CAI | CAE | 180.0° | 179.7° |
| CAB | CAD | CAI | CAH | 179.6° | 179.8° |
| CAB | CAD | CAE | CAF | 179.3° | 180.0° |
| CAD | CAB | OAC | H1 | 179.4° | 179.8° |
| CAB | CAD | CAE | H2 | 0.7° | 0.1° |
| OAJ | CAI | CAD | CAH | 179.9° | 179.7° |
| OAJ | CAI | CAD | CAE | 179.6° | 179.7° |
| OAJ | CAI | CAH | CAG | 180.0° | 179.8° |
| OAJ | CAI | CAH | H4 | 0.0° | 0.1° |
| CAI | CAD | CAE | CAF | 0.7° | 0.3° |
| CAD | CAI | CAH | CAG | 0.1° | 0.5° |
| CAI | CAD | CAE | H2 | 179.3° | 179.7° |
| CAD | CAI | CAH | H4 | 179.9° | 179.7° |
| CAD | CAI | OAJ | H5 | 0.5° | 89.9° |
| CAE | CAD | CAI | CAH | 0.4° | 0.6° |
| CAD | CAE | CAF | H2 | 180.0° | 179.9° |
| CAD | CAE | CAF | CAG | 0.6° | 0.0° |
| CAD | CAE | CAF | NAK | 179.8° | 180.0° |
| CAI | CAH | CAG | H4 | 180.0° | 179.8° |
| CAI | CAH | CAG | CAF | 0.0° | 0.2° |
| CAI | CAH | CAG | H3 | 180.0° | 179.7° |
| CAH | CAI | OAJ | H5 | 179.4° | 89.8° |
| CAE | CAF | CAG | CAH | 0.3° | 0.0° |
| CAE | CAF | CAG | NAK | 179.2° | 180.0° |
| CAE | CAF | NAK | OAL | 0.2° | 179.9° |
| CAE | CAF | NAK | OAM | 175.2° | 0.0° |
| CAE | CAF | CAG | H3 | 179.7° | 180.0° |
| CAH | CAG | CAF | H3 | 180.0° | 180.0° |
| CAH | CAG | CAF | NAK | 179.4° | 180.0° |
| CAG | CAF | NAK | OAL | 179.0° | 0.0° |
| CAG | CAF | NAK | OAM | 5.6° | 180.0° |
| CAG | CAF | CAE | H2 | 179.4° | 180.0° |
| CAF | CAG | CAH | H4 | 180.0° | 180.0° |
| CAF | NAK | OAL | OAM | 175.2° | 179.9° |
| NAK | CAF | CAE | H2 | 0.2° | 0.0° |
| NAK | CAF | CAG | H3 | 0.6° | 0.0° |
| H3 | CAG | CAH | H4 | 0.0° | 0.1° |
