WM1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| OAC | CAB | doub | 1.22Å | 1.24Å | |
| CAB | CAE | sing | 1.48Å | 1.51Å | |
| CAB | NAA | sing | 1.35Å | 1.38Å | |
| CAE | NAF | doub | 1.33Å | 1.37Å | Aromatic |
| CAH | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| NAF | CAI | sing | 1.31Å | 1.30Å | Aromatic |
| CAD | H1 | sing | 1.08Å | 1.08Å | |
| CAG | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| NAA | H5 | sing | 0.97Å | 1.00Å | |
| NAA | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAD | CAE | 116.3° | 119.0° |
| CAD | CAG | CAH | 119.2° | 118.5° |
| CAG | CAD | H1 | 121.9° | 120.5° |
| CAD | CAG | H2 | 120.4° | 120.8° |
| CAD | CAE | CAB | 115.8° | 119.7° |
| CAD | CAE | NAF | 122.2° | 120.6° |
| CAE | CAD | H1 | 121.9° | 120.5° |
| CAG | CAH | CAI | 122.1° | 119.4° |
| CAH | CAG | H2 | 120.4° | 120.7° |
| CAG | CAH | H3 | 118.9° | 120.3° |
| OAC | CAB | CAE | 115.3° | 120.0° |
| OAC | CAB | NAA | 127.9° | 120.0° |
| CAE | CAB | NAA | 116.6° | 120.0° |
| CAB | CAE | NAF | 122.0° | 119.7° |
| CAB | NAA | H5 | 120.0° | 120.0° |
| CAB | NAA | H6 | 120.0° | 120.0° |
| CAE | NAF | CAI | 122.2° | 121.7° |
| CAH | CAI | NAF | 118.0° | 120.9° |
| CAI | CAH | H3 | 119.0° | 120.3° |
| CAH | CAI | H4 | 121.0° | 119.5° |
| NAF | CAI | H4 | 121.0° | 119.6° |
| H5 | NAA | H6 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAD | CAE | H1 | 180.0° | 179.8° |
| CAD | CAG | CAH | H2 | 180.0° | 179.9° |
| CAG | CAD | CAE | CAB | 179.8° | 180.0° |
| CAG | CAD | CAE | NAF | 1.1° | 0.0° |
| CAD | CAG | CAH | CAI | 1.4° | 0.0° |
| CAD | CAG | CAH | H3 | 178.6° | 180.0° |
| CAE | CAD | CAG | CAH | 0.9° | 0.0° |
| CAD | CAE | CAB | OAC | 30.8° | 0.0° |
| CAD | CAE | CAB | NAF | 179.0° | 180.0° |
| CAD | CAE | CAB | NAA | 154.2° | 180.0° |
| CAD | CAE | NAF | CAI | 1.9° | 0.0° |
| CAE | CAD | CAG | H2 | 179.1° | 179.9° |
| CAG | CAH | CAI | H3 | 180.0° | 180.0° |
| CAG | CAH | CAI | NAF | 2.1° | 0.0° |
| CAH | CAG | CAD | H1 | 179.1° | 179.8° |
| CAG | CAH | CAI | H4 | 177.9° | 180.0° |
| OAC | CAB | CAE | NAA | 175.0° | 180.0° |
| OAC | CAB | CAE | NAF | 148.3° | 180.0° |
| OAC | CAB | NAA | H5 | 0.0° | 180.0° |
| OAC | CAB | NAA | H6 | 180.0° | 0.0° |
| CAB | CAE | NAF | CAI | 179.1° | 180.0° |
| CAB | CAE | CAD | H1 | 0.2° | 0.2° |
| CAE | CAB | NAA | H5 | 174.3° | 0.0° |
| CAE | CAB | NAA | H6 | 5.7° | 180.0° |
| NAA | CAB | CAE | NAF | 26.7° | 0.0° |
| CAB | NAA | H5 | H6 | 180.0° | 180.0° |
| CAE | NAF | CAI | CAH | 2.3° | 0.0° |
| NAF | CAE | CAD | H1 | 178.9° | 179.8° |
| CAE | NAF | CAI | H4 | 177.7° | 180.0° |
| CAH | CAI | NAF | H4 | 180.0° | 180.0° |
| CAI | CAH | CAG | H2 | 178.6° | 179.9° |
| NAF | CAI | CAH | H3 | 177.9° | 180.0° |
| H1 | CAD | CAG | H2 | 0.9° | 0.3° |
| H2 | CAG | CAH | H3 | 1.4° | 0.1° |
| H3 | CAH | CAI | H4 | 2.1° | 0.0° |
