6VP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAE | trip | 1.14Å | 1.14Å | |
| CAE | CAJ | sing | 1.43Å | 1.43Å | |
| OAB | CAI | sing | 1.36Å | 1.36Å | |
| CAJ | CAI | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAH | sing | 1.40Å | 1.39Å | Aromatic |
| CAI | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | NAL | sing | 1.48Å | 1.33Å | |
| NAL | OAD | doub | 1.22Å | 1.46Å | |
| NAL | OAC | sing | 1.22Å | 1.46Å | |
| CAH | H1 | sing | 1.08Å | 1.08Å | |
| OAB | H2 | sing | 0.97Å | 0.95Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAE | CAJ | 180.0° | 180.0° |
| CAE | CAJ | CAI | 120.3° | 120.2° |
| CAE | CAJ | CAH | 120.3° | 120.2° |
| OAB | CAI | CAJ | 116.6° | 120.1° |
| OAB | CAI | CAF | 122.3° | 120.1° |
| CAI | OAB | H2 | 109.5° | 114.0° |
| CAI | CAJ | CAH | 119.4° | 119.6° |
| CAJ | CAI | CAF | 121.2° | 119.7° |
| CAJ | CAH | CAK | 119.9° | 119.9° |
| CAJ | CAH | H1 | 120.1° | 120.1° |
| CAI | CAF | CAG | 119.2° | 120.0° |
| CAI | CAF | H3 | 120.4° | 120.0° |
| CAF | CAG | CAK | 120.1° | 120.4° |
| CAG | CAF | H3 | 120.4° | 120.0° |
| CAF | CAG | H4 | 120.0° | 119.8° |
| CAH | CAK | CAG | 120.3° | 120.3° |
| CAH | CAK | NAL | 119.9° | 119.9° |
| CAK | CAH | H1 | 120.0° | 120.0° |
| CAG | CAK | NAL | 119.9° | 119.9° |
| CAK | CAG | H4 | 119.9° | 119.8° |
| CAK | NAL | OAD | 120.3° | 120.0° |
| CAK | NAL | OAC | 120.3° | 120.0° |
| OAD | NAL | OAC | 119.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAE | CAJ | CAI | 88.4° | 0.5° |
| NAA | CAE | CAJ | CAH | 91.6° | 179.8° |
| CAE | CAJ | CAI | OAB | 0.0° | 0.0° |
| CAE | CAJ | CAI | CAH | 180.0° | 179.7° |
| CAE | CAJ | CAI | CAF | 180.0° | 179.9° |
| CAE | CAJ | CAH | CAK | 180.0° | 180.0° |
| CAE | CAJ | CAH | H1 | 0.0° | 0.1° |
| OAB | CAI | CAJ | CAF | 180.0° | 180.0° |
| OAB | CAI | CAJ | CAH | 180.0° | 179.7° |
| OAB | CAI | CAF | CAG | 179.9° | 180.0° |
| OAB | CAI | CAF | H3 | 0.0° | 0.0° |
| CAJ | CAI | CAF | CAG | 0.0° | 0.0° |
| CAI | CAJ | CAH | CAK | 0.0° | 0.3° |
| CAI | CAJ | CAH | H1 | 180.0° | 179.8° |
| CAJ | CAI | OAB | H2 | 180.0° | 90.0° |
| CAJ | CAI | CAF | H3 | 180.0° | 180.0° |
| CAH | CAJ | CAI | CAF | 0.0° | 0.3° |
| CAJ | CAH | CAK | H1 | 180.0° | 179.9° |
| CAJ | CAH | CAK | CAG | 0.0° | 0.1° |
| CAJ | CAH | CAK | NAL | 180.0° | 180.0° |
| CAI | CAF | CAG | H3 | 180.0° | 180.0° |
| CAI | CAF | CAG | CAK | 0.1° | 0.2° |
| CAF | CAI | OAB | H2 | 0.0° | 90.0° |
| CAI | CAF | CAG | H4 | 179.9° | 180.0° |
| CAF | CAG | CAK | CAH | 0.1° | 0.2° |
| CAF | CAG | CAK | H4 | 180.0° | 179.7° |
| CAF | CAG | CAK | NAL | 179.9° | 179.7° |
| CAH | CAK | CAG | NAL | 180.0° | 179.9° |
| CAH | CAK | NAL | OAD | 2.2° | 0.1° |
| CAH | CAK | NAL | OAC | 177.8° | 180.0° |
| CAH | CAK | CAG | H4 | 179.9° | 179.9° |
| CAG | CAK | NAL | OAD | 177.8° | 180.0° |
| CAG | CAK | NAL | OAC | 2.2° | 0.1° |
| CAG | CAK | CAH | H1 | 180.0° | 180.0° |
| CAK | CAG | CAF | H3 | 180.0° | 179.8° |
| CAK | NAL | OAD | OAC | 180.0° | 179.9° |
| NAL | CAK | CAH | H1 | 0.0° | 0.1° |
| NAL | CAK | CAG | H4 | 0.1° | 0.0° |
| H3 | CAF | CAG | H4 | 0.1° | 0.0° |
