6M1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAA | sing | 1.51Å | 1.52Å | |
| CAI | CAK | doub | 1.40Å | 1.41Å | Aromatic |
| CAJ | CAK | sing | 1.40Å | 1.40Å | Aromatic |
| CAJ | NAB | sing | 1.39Å | 1.34Å | |
| CAK | CAH | sing | 1.47Å | 1.56Å | |
| CAH | OAC | doub | 1.21Å | 1.27Å | |
| CAH | OAD | sing | 1.35Å | 1.25Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| NAB | H8 | sing | 0.97Å | 1.00Å | |
| NAB | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAE | CAG | 119.6° | 120.4° |
| CAE | CAF | CAI | 120.2° | 120.4° |
| CAE | CAF | H5 | 119.9° | 119.9° |
| CAF | CAE | H6 | 120.2° | 119.8° |
| CAE | CAG | CAJ | 120.0° | 120.1° |
| CAG | CAE | H6 | 120.2° | 119.8° |
| CAE | CAG | H7 | 120.0° | 119.9° |
| CAF | CAI | CAA | 118.3° | 120.0° |
| CAF | CAI | CAK | 120.8° | 119.9° |
| CAI | CAF | H5 | 119.9° | 119.8° |
| CAG | CAJ | CAK | 121.1° | 119.7° |
| CAG | CAJ | NAB | 119.4° | 120.2° |
| CAJ | CAG | H7 | 120.0° | 120.0° |
| CAA | CAI | CAK | 120.9° | 120.0° |
| CAI | CAA | H2 | 109.5° | 109.5° |
| CAI | CAA | H3 | 109.5° | 109.5° |
| CAI | CAA | H4 | 109.4° | 109.5° |
| CAI | CAK | CAJ | 118.4° | 119.5° |
| CAI | CAK | CAH | 122.1° | 120.2° |
| CAK | CAJ | NAB | 119.5° | 120.1° |
| CAJ | CAK | CAH | 119.6° | 120.2° |
| CAJ | NAB | H8 | 109.5° | 120.0° |
| CAJ | NAB | H9 | 109.5° | 120.0° |
| CAK | CAH | OAC | 120.1° | 120.0° |
| CAK | CAH | OAD | 116.9° | 120.0° |
| OAC | CAH | OAD | 122.8° | 120.0° |
| CAH | OAD | H1 | 109.5° | 117.0° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H4 | 109.5° | 109.5° |
| H3 | CAA | H4 | 109.5° | 109.5° |
| H8 | NAB | H9 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAE | CAG | H6 | 180.0° | 180.0° |
| CAE | CAF | CAI | H5 | 180.0° | 180.0° |
| CAF | CAE | CAG | CAJ | 0.2° | 0.2° |
| CAE | CAF | CAI | CAA | 178.5° | 180.0° |
| CAE | CAF | CAI | CAK | 1.3° | 0.0° |
| CAF | CAE | CAG | H7 | 179.8° | 180.0° |
| CAG | CAE | CAF | CAI | 1.2° | 0.0° |
| CAE | CAG | CAJ | H7 | 180.0° | 179.8° |
| CAE | CAG | CAJ | CAK | 0.8° | 0.5° |
| CAE | CAG | CAJ | NAB | 179.5° | 180.0° |
| CAG | CAE | CAF | H5 | 178.8° | 180.0° |
| CAF | CAI | CAA | CAK | 179.8° | 180.0° |
| CAF | CAI | CAK | CAJ | 0.4° | 0.2° |
| CAF | CAI | CAK | CAH | 179.0° | 180.0° |
| CAF | CAI | CAA | H2 | 89.9° | 90.0° |
| CAF | CAI | CAA | H3 | 150.1° | 30.0° |
| CAF | CAI | CAA | H4 | 30.1° | 150.0° |
| CAI | CAF | CAE | H6 | 178.8° | 179.9° |
| CAG | CAJ | CAK | CAI | 0.7° | 0.5° |
| CAG | CAJ | CAK | NAB | 178.7° | 179.5° |
| CAG | CAJ | CAK | CAH | 179.9° | 179.8° |
| CAJ | CAG | CAE | H6 | 179.8° | 179.8° |
| CAG | CAJ | NAB | H8 | 180.0° | 0.1° |
| CAG | CAJ | NAB | H9 | 60.0° | 180.0° |
| CAA | CAI | CAK | CAJ | 179.4° | 179.7° |
| CAA | CAI | CAK | CAH | 1.2° | 0.0° |
| CAI | CAA | H2 | H3 | 120.0° | 120.0° |
| CAI | CAA | H2 | H4 | 120.0° | 120.0° |
| CAI | CAA | H3 | H4 | 120.0° | 120.0° |
| CAA | CAI | CAF | H5 | 1.5° | 0.0° |
| CAI | CAK | CAJ | CAH | 179.4° | 179.7° |
| CAI | CAK | CAJ | NAB | 179.4° | 180.0° |
| CAI | CAK | CAH | OAC | 24.4° | 90.0° |
| CAI | CAK | CAH | OAD | 159.0° | 90.2° |
| CAK | CAI | CAA | H2 | 89.9° | 90.0° |
| CAK | CAI | CAA | H3 | 30.1° | 150.0° |
| CAK | CAI | CAA | H4 | 150.1° | 30.0° |
| CAK | CAI | CAF | H5 | 178.7° | 180.0° |
| CAJ | CAK | CAH | OAC | 154.9° | 90.3° |
| CAJ | CAK | CAH | OAD | 21.6° | 89.5° |
| CAK | CAJ | CAG | H7 | 179.2° | 179.7° |
| CAK | CAJ | NAB | H8 | 1.3° | 179.5° |
| CAK | CAJ | NAB | H9 | 118.7° | 0.5° |
| NAB | CAJ | CAK | CAH | 1.2° | 0.2° |
| NAB | CAJ | CAG | H7 | 0.5° | 0.2° |
| CAJ | NAB | H8 | H9 | 120.0° | 180.0° |
| CAK | CAH | OAC | OAD | 176.3° | 179.8° |
| CAK | CAH | OAD | H1 | 176.4° | 179.8° |
| OAC | CAH | OAD | H1 | 0.0° | 0.0° |
| H2 | CAA | H3 | H4 | 120.0° | 120.0° |
| H5 | CAF | CAE | H6 | 1.2° | 0.1° |
| H6 | CAE | CAG | H7 | 0.2° | 0.0° |
