6QV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| OAC | NAR | sing | 1.22Å | 1.42Å | |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| NAR | OAA | doub | 1.22Å | 1.42Å | |
| NAR | CAP | sing | 1.48Å | 1.33Å | |
| CAJ | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | PAS | sing | 1.81Å | 1.75Å | |
| OAD | PAS | doub | 1.48Å | 1.61Å | |
| CAH | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| PAS | OAN | sing | 1.61Å | 1.61Å | |
| PAS | OAB | sing | 1.61Å | 1.48Å | |
| CAO | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | OAN | sing | 1.36Å | 1.36Å | |
| CAH | H1 | sing | 1.08Å | 1.08Å | |
| CAJ | H2 | sing | 1.08Å | 1.08Å | |
| CAK | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| OAB | H5 | sing | 0.97Å | 0.95Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAM | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAG | CAM | 120.0° | 120.0° |
| CAG | CAE | CAF | 120.0° | 120.0° |
| CAG | CAE | H8 | 120.0° | 119.9° |
| CAE | CAG | H9 | 120.0° | 120.0° |
| CAG | CAM | CAQ | 120.0° | 120.0° |
| CAM | CAG | H9 | 120.0° | 120.0° |
| CAG | CAM | H10 | 120.0° | 120.0° |
| OAC | NAR | OAA | 122.5° | 120.0° |
| OAC | NAR | CAP | 118.7° | 120.0° |
| CAE | CAF | CAL | 120.0° | 120.0° |
| CAE | CAF | H7 | 120.0° | 120.0° |
| CAF | CAE | H8 | 120.0° | 120.1° |
| CAM | CAQ | CAL | 120.0° | 120.0° |
| CAM | CAQ | PAS | 120.0° | 120.0° |
| CAQ | CAM | H10 | 120.0° | 120.0° |
| OAA | NAR | CAP | 118.8° | 120.0° |
| NAR | CAP | CAJ | 120.1° | 120.0° |
| NAR | CAP | CAK | 120.0° | 119.9° |
| CAP | CAJ | CAH | 120.0° | 120.1° |
| CAJ | CAP | CAK | 119.9° | 120.1° |
| CAP | CAJ | H2 | 120.0° | 120.0° |
| CAJ | CAH | CAO | 120.0° | 119.9° |
| CAJ | CAH | H1 | 120.0° | 120.1° |
| CAH | CAJ | H2 | 120.0° | 119.9° |
| CAP | CAK | CAI | 120.0° | 120.0° |
| CAP | CAK | H3 | 120.0° | 120.0° |
| CAF | CAL | CAQ | 120.0° | 120.0° |
| CAF | CAL | H6 | 120.0° | 120.1° |
| CAL | CAF | H7 | 120.0° | 120.0° |
| CAL | CAQ | PAS | 120.0° | 120.0° |
| CAQ | CAL | H6 | 120.0° | 119.9° |
| CAQ | PAS | OAD | 108.3° | 109.5° |
| CAQ | PAS | OAN | 108.3° | 109.5° |
| CAQ | PAS | OAB | 119.3° | 109.5° |
| OAD | PAS | OAN | 102.3° | 109.5° |
| OAD | PAS | OAB | 108.7° | 109.5° |
| CAH | CAO | CAI | 119.9° | 119.9° |
| CAH | CAO | OAN | 120.1° | 120.1° |
| CAO | CAH | H1 | 120.0° | 120.0° |
| CAK | CAI | CAO | 120.0° | 120.0° |
| CAI | CAK | H3 | 120.0° | 120.0° |
| CAK | CAI | H4 | 120.0° | 120.0° |
| OAN | PAS | OAB | 108.7° | 109.5° |
| PAS | OAN | CAO | 120.1° | 114.0° |
| PAS | OAB | H5 | 109.5° | 114.0° |
| CAI | CAO | OAN | 120.0° | 120.0° |
| CAO | CAI | H4 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAG | CAM | H9 | 180.0° | 179.7° |
| CAG | CAE | CAF | H8 | 180.0° | 180.0° |
| CAE | CAG | CAM | CAQ | 0.0° | 0.6° |
| CAG | CAE | CAF | CAL | 0.1° | 0.0° |
| CAG | CAE | CAF | H7 | 179.9° | 180.0° |
| CAE | CAG | CAM | H10 | 180.0° | 180.0° |
| CAM | CAG | CAE | CAF | 0.1° | 0.3° |
| CAG | CAM | CAQ | H10 | 180.0° | 179.4° |
| CAG | CAM | CAQ | CAL | 0.0° | 0.6° |
| CAG | CAM | CAQ | PAS | 180.0° | 179.7° |
| CAM | CAG | CAE | H8 | 179.9° | 179.7° |
| OAC | NAR | OAA | CAP | 180.0° | 180.0° |
| OAC | NAR | CAP | CAJ | 0.3° | 180.0° |
| OAC | NAR | CAP | CAK | 179.7° | 0.0° |
| CAE | CAF | CAL | H7 | 180.0° | 180.0° |
| CAE | CAF | CAL | CAQ | 0.1° | 0.0° |
| CAE | CAF | CAL | H6 | 179.9° | 180.0° |
| CAF | CAE | CAG | H9 | 179.9° | 180.0° |
| CAM | CAQ | CAL | CAF | 0.1° | 0.3° |
| CAM | CAQ | CAL | PAS | 180.0° | 179.7° |
| CAM | CAQ | PAS | OAD | 24.1° | 115.3° |
| CAM | CAQ | PAS | OAN | 134.3° | 4.7° |
| CAM | CAQ | PAS | OAB | 100.8° | 124.7° |
| CAM | CAQ | CAL | H6 | 179.9° | 179.7° |
| CAQ | CAM | CAG | H9 | 179.9° | 179.7° |
| OAA | NAR | CAP | CAJ | 179.7° | 0.0° |
| OAA | NAR | CAP | CAK | 0.3° | 180.0° |
| NAR | CAP | CAJ | CAK | 180.0° | 180.0° |
| NAR | CAP | CAJ | CAH | 180.0° | 180.0° |
| NAR | CAP | CAK | CAI | 180.0° | 180.0° |
| NAR | CAP | CAJ | H2 | 0.0° | 0.0° |
| NAR | CAP | CAK | H3 | 0.0° | 0.0° |
| CAP | CAJ | CAH | H2 | 180.0° | 180.0° |
| CAP | CAJ | CAH | CAO | 0.0° | 0.0° |
| CAJ | CAP | CAK | CAI | 0.0° | 0.0° |
| CAP | CAJ | CAH | H1 | 180.0° | 179.7° |
| CAJ | CAP | CAK | H3 | 180.0° | 180.0° |
| CAH | CAJ | CAP | CAK | 0.0° | 0.0° |
| CAJ | CAH | CAO | H1 | 180.0° | 179.7° |
| CAJ | CAH | CAO | CAI | 0.0° | 0.0° |
| CAJ | CAH | CAO | OAN | 180.0° | 179.8° |
| CAP | CAK | CAI | H3 | 180.0° | 180.0° |
| CAP | CAK | CAI | CAO | 0.0° | 0.0° |
| CAK | CAP | CAJ | H2 | 180.0° | 180.0° |
| CAP | CAK | CAI | H4 | 180.0° | 180.0° |
| CAF | CAL | CAQ | H6 | 180.0° | 180.0° |
| CAF | CAL | CAQ | PAS | 179.9° | 180.0° |
| CAL | CAF | CAE | H8 | 179.9° | 180.0° |
| CAL | CAQ | PAS | OAD | 155.9° | 65.0° |
| CAL | CAQ | PAS | OAN | 45.7° | 175.0° |
| CAL | CAQ | PAS | OAB | 79.2° | 55.0° |
| CAQ | CAL | CAF | H7 | 179.9° | 180.0° |
| CAL | CAQ | CAM | H10 | 180.0° | 180.0° |
| CAQ | PAS | OAD | OAN | 114.2° | 120.0° |
| CAQ | PAS | OAD | OAB | 131.0° | 120.0° |
| CAQ | PAS | OAN | OAB | 131.0° | 120.0° |
| CAQ | PAS | OAN | CAO | 60.0° | 175.0° |
| CAQ | PAS | OAB | H5 | 124.7° | 60.0° |
| PAS | CAQ | CAL | H6 | 0.1° | 0.0° |
| PAS | CAQ | CAM | H10 | 0.0° | 0.3° |
| OAD | PAS | OAN | OAB | 114.8° | 120.0° |
| OAD | PAS | OAN | CAO | 54.2° | 55.0° |
| OAD | PAS | OAB | H5 | 0.0° | 180.0° |
| CAH | CAO | CAI | CAK | 0.0° | 0.0° |
| CAH | CAO | OAN | PAS | 57.4° | 89.9° |
| CAH | CAO | CAI | OAN | 180.0° | 179.8° |
| CAO | CAH | CAJ | H2 | 180.0° | 180.0° |
| CAH | CAO | CAI | H4 | 180.0° | 180.0° |
| CAK | CAI | CAO | H4 | 180.0° | 180.0° |
| CAK | CAI | CAO | OAN | 180.0° | 179.8° |
| PAS | OAN | CAO | CAI | 122.5° | 90.3° |
| OAN | PAS | OAB | H5 | 110.6° | 60.0° |
| OAB | PAS | OAN | CAO | 169.0° | 65.1° |
| CAI | CAO | CAH | H1 | 180.0° | 179.7° |
| CAO | CAI | CAK | H3 | 180.0° | 180.0° |
| OAN | CAO | CAH | H1 | 0.0° | 0.1° |
| OAN | CAO | CAI | H4 | 0.0° | 0.2° |
| H1 | CAH | CAJ | H2 | 0.0° | 0.3° |
| H3 | CAK | CAI | H4 | 0.0° | 0.0° |
| H6 | CAL | CAF | H7 | 0.1° | 0.0° |
| H7 | CAF | CAE | H8 | 0.0° | 0.0° |
| H8 | CAE | CAG | H9 | 0.1° | 0.0° |
| H9 | CAG | CAM | H10 | 0.1° | 0.3° |
