0W1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAI | sing | 1.51Å | 1.54Å | |
| OAC | CAH | doub | 1.22Å | 1.27Å | |
| CAI | CAK | sing | 1.43Å | 1.36Å | Aromatic |
| CAI | NAF | doub | 1.30Å | 1.33Å | Aromatic |
| CAE | CAK | sing | 1.40Å | 1.35Å | Aromatic |
| CAE | CAJ | doub | 1.34Å | 1.35Å | Aromatic |
| CAK | CAL | doub | 1.39Å | 1.37Å | Aromatic |
| CAH | CAJ | sing | 1.46Å | 1.36Å | |
| CAH | OAD | sing | 1.35Å | 1.26Å | |
| NAF | NAM | sing | 1.40Å | 1.36Å | Aromatic |
| CAJ | SAG | sing | 1.76Å | 1.79Å | Aromatic |
| CAL | NAM | sing | 1.37Å | 1.35Å | Aromatic |
| CAL | SAG | sing | 1.76Å | 1.79Å | Aromatic |
| NAM | CAB | sing | 1.46Å | 1.53Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAI | CAK | 126.6° | 125.8° |
| CAA | CAI | NAF | 122.6° | 125.7° |
| CAI | CAA | H3 | 109.5° | 109.5° |
| CAI | CAA | H4 | 109.5° | 109.5° |
| CAI | CAA | H5 | 109.5° | 109.4° |
| OAC | CAH | CAJ | 120.8° | 120.0° |
| OAC | CAH | OAD | 119.1° | 120.0° |
| CAK | CAI | NAF | 110.8° | 108.6° |
| CAI | CAK | CAE | 139.6° | 140.5° |
| CAI | CAK | CAL | 105.9° | 106.5° |
| CAI | NAF | NAM | 106.5° | 109.4° |
| CAK | CAE | CAJ | 116.8° | 115.3° |
| CAE | CAK | CAL | 114.6° | 113.1° |
| CAK | CAE | H2 | 121.6° | 122.3° |
| CAE | CAJ | CAH | 124.6° | 124.8° |
| CAE | CAJ | SAG | 109.4° | 110.4° |
| CAJ | CAE | H2 | 121.6° | 122.4° |
| CAK | CAL | NAM | 107.9° | 107.5° |
| CAK | CAL | SAG | 109.5° | 109.8° |
| CAJ | CAH | OAD | 120.1° | 120.0° |
| CAH | CAJ | SAG | 126.1° | 124.8° |
| CAH | OAD | H1 | 109.5° | 117.0° |
| NAF | NAM | CAL | 108.8° | 108.1° |
| NAF | NAM | CAB | 124.4° | 125.9° |
| CAJ | SAG | CAL | 89.8° | 91.5° |
| NAM | CAL | SAG | 142.5° | 142.8° |
| CAL | NAM | CAB | 126.7° | 126.0° |
| NAM | CAB | H6 | 109.5° | 109.5° |
| NAM | CAB | H7 | 109.4° | 109.5° |
| NAM | CAB | H8 | 109.5° | 109.5° |
| H3 | CAA | H4 | 109.5° | 109.5° |
| H3 | CAA | H5 | 109.4° | 109.5° |
| H4 | CAA | H5 | 109.5° | 109.5° |
| H6 | CAB | H7 | 109.4° | 109.5° |
| H6 | CAB | H8 | 109.5° | 109.4° |
| H7 | CAB | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAI | CAK | NAF | 179.3° | 180.0° |
| CAA | CAI | CAK | CAE | 0.1° | 0.1° |
| CAA | CAI | CAK | CAL | 179.6° | 179.8° |
| CAA | CAI | NAF | NAM | 180.0° | 179.8° |
| CAI | CAA | H3 | H4 | 120.0° | 120.1° |
| CAI | CAA | H3 | H5 | 120.0° | 120.0° |
| CAI | CAA | H4 | H5 | 120.0° | 120.0° |
| OAC | CAH | CAJ | CAE | 13.2° | 0.4° |
| OAC | CAH | CAJ | OAD | 177.8° | 179.6° |
| OAC | CAH | CAJ | SAG | 166.3° | 180.0° |
| OAC | CAH | OAD | H1 | 0.0° | 0.1° |
| CAI | CAK | CAE | CAL | 179.7° | 179.9° |
| CAI | CAK | CAE | CAJ | 179.9° | 180.0° |
| CAK | CAI | NAF | NAM | 0.7° | 0.1° |
| CAI | CAK | CAL | NAM | 1.1° | 0.1° |
| CAI | CAK | CAL | SAG | 179.0° | 179.9° |
| CAI | CAK | CAE | H2 | 0.1° | 0.0° |
| CAK | CAI | CAA | H3 | 179.3° | 90.0° |
| CAK | CAI | CAA | H4 | 60.7° | 150.0° |
| CAK | CAI | CAA | H5 | 59.3° | 30.0° |
| NAF | CAI | CAK | CAE | 179.2° | 180.0° |
| NAF | CAI | CAK | CAL | 1.1° | 0.1° |
| CAI | NAF | NAM | CAL | 0.0° | 0.1° |
| CAI | NAF | NAM | CAB | 178.9° | 179.7° |
| NAF | CAI | CAA | H3 | 0.0° | 90.0° |
| NAF | CAI | CAA | H4 | 120.0° | 30.1° |
| NAF | CAI | CAA | H5 | 120.0° | 150.1° |
| CAK | CAE | CAJ | H2 | 180.0° | 179.9° |
| CAK | CAE | CAJ | CAH | 179.5° | 180.0° |
| CAK | CAE | CAJ | SAG | 0.9° | 0.3° |
| CAE | CAK | CAL | NAM | 179.2° | 180.0° |
| CAE | CAK | CAL | SAG | 1.3° | 0.0° |
| CAJ | CAE | CAK | CAL | 0.2° | 0.2° |
| CAE | CAJ | CAH | SAG | 179.5° | 179.6° |
| CAE | CAJ | CAH | OAD | 164.6° | 180.0° |
| CAE | CAJ | SAG | CAL | 1.3° | 0.3° |
| CAK | CAL | NAM | NAF | 0.7° | 0.0° |
| CAK | CAL | SAG | CAJ | 1.4° | 0.2° |
| CAK | CAL | NAM | SAG | 176.7° | 179.9° |
| CAK | CAL | NAM | CAB | 179.5° | 179.8° |
| CAL | CAK | CAE | H2 | 179.8° | 179.9° |
| CAH | CAJ | SAG | CAL | 179.1° | 179.9° |
| CAJ | CAH | OAD | H1 | 177.8° | 179.7° |
| CAH | CAJ | CAE | H2 | 0.5° | 0.1° |
| OAD | CAH | CAJ | SAG | 15.9° | 0.4° |
| NAF | NAM | CAL | CAB | 178.8° | 179.8° |
| NAF | NAM | CAL | SAG | 177.4° | 179.9° |
| NAF | NAM | CAB | H6 | 0.0° | 90.3° |
| NAF | NAM | CAB | H7 | 120.0° | 29.8° |
| NAF | NAM | CAB | H8 | 120.0° | 149.8° |
| CAJ | SAG | CAL | NAM | 178.2° | 179.9° |
| SAG | CAJ | CAE | H2 | 179.1° | 179.8° |
| CAL | NAM | CAB | H6 | 178.7° | 90.0° |
| CAL | NAM | CAB | H7 | 61.3° | 149.9° |
| CAL | NAM | CAB | H8 | 58.7° | 29.9° |
| SAG | CAL | NAM | CAB | 3.7° | 0.1° |
| NAM | CAB | H6 | H7 | 120.0° | 120.1° |
| NAM | CAB | H6 | H8 | 120.0° | 119.9° |
| NAM | CAB | H7 | H8 | 120.0° | 120.0° |
| H3 | CAA | H4 | H5 | 120.0° | 120.0° |
| H6 | CAB | H7 | H8 | 120.0° | 119.9° |
