WM4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAE | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.42Å | Aromatic |
| CAI | CAJ | doub | 1.38Å | 1.37Å | Aromatic |
| CAF | CAB | sing | 1.48Å | 1.53Å | |
| CAF | CAG | doub | 1.40Å | 1.37Å | Aromatic |
| OAA | CAB | doub | 1.22Å | 1.22Å | |
| CAB | NAC | sing | 1.35Å | 1.34Å | |
| CAJ | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| NAC | NAD | sing | 1.37Å | 1.41Å | |
| CAE | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAI | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| NAC | H6 | sing | 0.97Å | 1.00Å | |
| NAD | H7 | sing | 1.01Å | 1.00Å | |
| NAD | H8 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAH | CAI | 121.6° | 120.2° |
| CAH | CAE | CAF | 117.0° | 119.9° |
| CAH | CAE | H1 | 121.5° | 120.0° |
| CAE | CAH | H2 | 119.2° | 120.0° |
| CAH | CAI | CAJ | 117.9° | 120.3° |
| CAI | CAH | H2 | 119.2° | 119.8° |
| CAH | CAI | H3 | 121.0° | 119.9° |
| CAE | CAF | CAB | 120.5° | 120.2° |
| CAE | CAF | CAG | 120.9° | 119.7° |
| CAF | CAE | H1 | 121.5° | 120.1° |
| CAI | CAJ | CAG | 122.2° | 120.1° |
| CAJ | CAI | H3 | 121.1° | 119.8° |
| CAI | CAJ | H4 | 118.9° | 119.9° |
| CAB | CAF | CAG | 118.6° | 120.1° |
| CAF | CAB | OAA | 118.4° | 120.0° |
| CAF | CAB | NAC | 116.0° | 120.0° |
| CAF | CAG | CAJ | 120.3° | 119.9° |
| CAF | CAG | H5 | 119.8° | 120.1° |
| OAA | CAB | NAC | 125.5° | 120.0° |
| CAB | NAC | NAD | 118.9° | 120.0° |
| CAB | NAC | H6 | 120.5° | 120.0° |
| CAG | CAJ | H4 | 118.9° | 119.9° |
| CAJ | CAG | H5 | 119.8° | 120.0° |
| NAD | NAC | H6 | 120.5° | 120.0° |
| NAC | NAD | H7 | 109.5° | 111.0° |
| NAC | NAD | H8 | 109.5° | 111.0° |
| H7 | NAD | H8 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAH | CAI | H2 | 180.0° | 179.9° |
| CAH | CAE | CAF | H1 | 180.0° | 179.6° |
| CAE | CAH | CAI | CAJ | 1.7° | 0.0° |
| CAH | CAE | CAF | CAB | 177.9° | 179.7° |
| CAH | CAE | CAF | CAG | 1.7° | 0.0° |
| CAE | CAH | CAI | H3 | 178.3° | 179.9° |
| CAI | CAH | CAE | CAF | 2.3° | 0.1° |
| CAH | CAI | CAJ | H3 | 180.0° | 179.9° |
| CAH | CAI | CAJ | CAG | 0.5° | 0.0° |
| CAI | CAH | CAE | H1 | 177.7° | 179.7° |
| CAH | CAI | CAJ | H4 | 179.4° | 179.9° |
| CAE | CAF | CAB | CAG | 179.7° | 179.7° |
| CAE | CAF | CAB | OAA | 137.0° | 0.0° |
| CAE | CAF | CAB | NAC | 42.3° | 180.0° |
| CAE | CAF | CAG | CAJ | 0.6° | 0.0° |
| CAF | CAE | CAH | H2 | 177.7° | 180.0° |
| CAE | CAF | CAG | H5 | 179.4° | 180.0° |
| CAI | CAJ | CAG | CAF | 0.0° | 0.0° |
| CAI | CAJ | CAG | H4 | 180.0° | 179.9° |
| CAJ | CAI | CAH | H2 | 178.3° | 180.0° |
| CAI | CAJ | CAG | H5 | 180.0° | 180.0° |
| CAF | CAB | OAA | NAC | 179.2° | 180.0° |
| CAB | CAF | CAG | CAJ | 179.0° | 179.7° |
| CAF | CAB | NAC | NAD | 175.5° | 179.9° |
| CAB | CAF | CAE | H1 | 2.1° | 0.0° |
| CAB | CAF | CAG | H5 | 1.0° | 0.3° |
| CAF | CAB | NAC | H6 | 4.5° | 0.0° |
| CAG | CAF | CAB | OAA | 42.6° | 179.7° |
| CAG | CAF | CAB | NAC | 138.1° | 0.3° |
| CAF | CAG | CAJ | H5 | 180.0° | 180.0° |
| CAG | CAF | CAE | H1 | 178.2° | 179.7° |
| CAF | CAG | CAJ | H4 | 180.0° | 179.9° |
| OAA | CAB | NAC | NAD | 3.7° | 0.0° |
| OAA | CAB | NAC | H6 | 176.3° | 180.0° |
| CAB | NAC | NAD | H6 | 180.0° | 180.0° |
| CAB | NAC | NAD | H7 | 180.0° | 180.0° |
| CAB | NAC | NAD | H8 | 60.0° | 56.1° |
| CAG | CAJ | CAI | H3 | 179.5° | 179.9° |
| NAC | NAD | H7 | H8 | 120.0° | 123.9° |
| H1 | CAE | CAH | H2 | 2.3° | 0.4° |
| H2 | CAH | CAI | H3 | 1.8° | 0.1° |
| H3 | CAI | CAJ | H4 | 0.6° | 0.0° |
| H4 | CAJ | CAG | H5 | 0.0° | 0.1° |
| H6 | NAC | NAD | H7 | 0.0° | 0.1° |
| H6 | NAC | NAD | H8 | 120.0° | 123.9° |
