DMW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C5M | sing | 1.51Å | 1.52Å | |
| C5 | C4 | sing | 1.47Å | 1.52Å | |
| C5 | C6 | doub | 1.34Å | 1.45Å | |
| C5M | H5M1 | sing | 1.09Å | 1.11Å | |
| C5M | H5M2 | sing | 1.09Å | 1.11Å | |
| C5M | H5M3 | sing | 1.09Å | 1.11Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | C3 | sing | 1.48Å | 1.48Å | |
| C3 | C2 | doub | 1.41Å | 1.43Å | Aromatic |
| C3 | C3A | sing | 1.39Å | 1.47Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.51Å | |
| C2 | C3D | sing | 1.39Å | 1.45Å | Aromatic |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C1 | C6 | sing | 1.47Å | 1.50Å | |
| C6 | C6M | sing | 1.51Å | 1.58Å | |
| C3A | C3B | doub | 1.39Å | 1.42Å | Aromatic |
| C3A | H3A | sing | 1.08Å | 1.10Å | |
| C3B | C3C | sing | 1.38Å | 1.44Å | Aromatic |
| C3B | H3B | sing | 1.08Å | 1.10Å | |
| C3C | C3D | doub | 1.39Å | 1.45Å | Aromatic |
| C3C | H3C | sing | 1.08Å | 1.10Å | |
| C3D | H3D | sing | 1.08Å | 1.10Å | |
| C6M | H6M1 | sing | 1.09Å | 1.12Å | |
| C6M | H6M2 | sing | 1.09Å | 1.11Å | |
| C6M | H6M3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5M | C5 | C4 | 115.5° | 119.5° |
| C5M | C5 | C6 | 123.6° | 119.6° |
| C5 | C5M | H5M1 | 115.5° | 109.5° |
| C5 | C5M | H5M2 | 110.0° | 109.4° |
| C5 | C5M | H5M3 | 110.0° | 109.5° |
| C4 | C5 | C6 | 120.9° | 120.9° |
| C5 | C4 | O4 | 121.4° | 120.2° |
| C5 | C4 | C3 | 120.0° | 119.7° |
| C5 | C6 | C1 | 118.1° | 120.9° |
| C5 | C6 | C6M | 124.0° | 119.5° |
| H5M1 | C5M | H5M2 | 110.0° | 109.5° |
| H5M1 | C5M | H5M3 | 110.0° | 109.5° |
| H5M2 | C5M | H5M3 | 100.2° | 109.4° |
| O4 | C4 | C3 | 118.6° | 120.1° |
| C4 | C3 | C2 | 120.1° | 119.3° |
| C4 | C3 | C3A | 119.9° | 120.9° |
| C2 | C3 | C3A | 120.0° | 119.8° |
| C3 | C2 | C1 | 120.2° | 119.3° |
| C3 | C2 | C3D | 118.5° | 119.8° |
| C3 | C3A | C3B | 121.2° | 119.8° |
| C3 | C3A | H3A | 119.4° | 120.1° |
| C1 | C2 | C3D | 121.3° | 120.9° |
| C2 | C1 | O1 | 120.2° | 120.1° |
| C2 | C1 | C6 | 120.8° | 119.7° |
| C2 | C3D | C3C | 121.2° | 119.8° |
| C2 | C3D | H3D | 119.4° | 120.1° |
| O1 | C1 | C6 | 119.0° | 120.2° |
| C1 | C6 | C6M | 117.9° | 119.5° |
| C6 | C6M | H6M1 | 124.0° | 109.5° |
| C6 | C6M | H6M2 | 107.1° | 109.6° |
| C6 | C6M | H6M3 | 107.1° | 109.4° |
| C3B | C3A | H3A | 119.4° | 120.1° |
| C3A | C3B | C3C | 119.4° | 120.5° |
| C3A | C3B | H3B | 120.3° | 119.7° |
| C3C | C3B | H3B | 120.3° | 119.8° |
| C3B | C3C | C3D | 119.8° | 120.5° |
| C3B | C3C | H3C | 120.1° | 119.8° |
| C3D | C3C | H3C | 120.1° | 119.7° |
| C3C | C3D | H3D | 119.4° | 120.1° |
| H6M1 | C6M | H6M2 | 107.1° | 109.4° |
| H6M1 | C6M | H6M3 | 107.0° | 109.5° |
| H6M2 | C6M | H6M3 | 102.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5M | C5 | C4 | C6 | 180.0° | 179.8° |
| C5 | C5M | H5M1 | H5M2 | 125.2° | 120.0° |
| C5 | C5M | H5M1 | H5M3 | 125.3° | 120.1° |
| C5 | C5M | H5M2 | H5M3 | 115.8° | 120.0° |
| C5M | C5 | C4 | O4 | 0.1° | 0.0° |
| C5M | C5 | C4 | C3 | 179.8° | 179.8° |
| C5M | C5 | C6 | C1 | 179.9° | 180.0° |
| C5M | C5 | C6 | C6M | 0.0° | 0.1° |
| C4 | C5 | C5M | H5M1 | 180.0° | 0.2° |
| C4 | C5 | C5M | H5M2 | 54.7° | 119.8° |
| C4 | C5 | C5M | H5M3 | 54.7° | 120.3° |
| C5 | C4 | O4 | C3 | 179.9° | 179.8° |
| C5 | C4 | C3 | C2 | 0.1° | 0.4° |
| C5 | C4 | C3 | C3A | 179.8° | 179.8° |
| C4 | C5 | C6 | C1 | 0.1° | 0.3° |
| C4 | C5 | C6 | C6M | 180.0° | 179.8° |
| C6 | C5 | C5M | H5M1 | 0.0° | 180.0° |
| C6 | C5 | C5M | H5M2 | 125.3° | 60.0° |
| C6 | C5 | C5M | H5M3 | 125.3° | 60.0° |
| C6 | C5 | C4 | O4 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.2° | 0.5° |
| C5 | C6 | C1 | C2 | 0.0° | 0.1° |
| C5 | C6 | C1 | O1 | 179.9° | 180.0° |
| C5 | C6 | C1 | C6M | 179.9° | 179.9° |
| C5 | C6 | C6M | H6M1 | 180.0° | 180.0° |
| C5 | C6 | C6M | H6M2 | 54.7° | 59.9° |
| C5 | C6 | C6M | H6M3 | 54.8° | 60.1° |
| H5M1 | C5M | H5M2 | H5M3 | 115.9° | 120.0° |
| O4 | C4 | C3 | C2 | 180.0° | 179.7° |
| O4 | C4 | C3 | C3A | 0.0° | 0.0° |
| C4 | C3 | C2 | C3A | 180.0° | 179.8° |
| C4 | C3 | C2 | C1 | 0.0° | 0.3° |
| C4 | C3 | C2 | C3D | 179.9° | 179.8° |
| C4 | C3 | C3A | C3B | 179.9° | 179.7° |
| C4 | C3 | C3A | H3A | 0.1° | 0.3° |
| C3 | C2 | C1 | C3D | 179.9° | 179.9° |
| C3 | C2 | C1 | O1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C2 | C3 | C3A | C3B | 0.1° | 0.0° |
| C2 | C3 | C3A | H3A | 179.9° | 180.0° |
| C3 | C2 | C3D | C3C | 0.0° | 0.1° |
| C3 | C2 | C3D | H3D | 180.0° | 180.0° |
| C3A | C3 | C2 | C1 | 180.0° | 180.0° |
| C3A | C3 | C2 | C3D | 0.1° | 0.0° |
| C3 | C3A | C3B | H3A | 180.0° | 180.0° |
| C3 | C3A | C3B | C3C | 0.1° | 0.1° |
| C3 | C3A | C3B | H3B | 179.9° | 180.0° |
| C2 | C1 | O1 | C6 | 179.9° | 179.9° |
| C2 | C1 | C6 | C6M | 179.8° | 180.0° |
| C1 | C2 | C3D | C3C | 180.0° | 180.0° |
| C1 | C2 | C3D | H3D | 0.0° | 0.1° |
| C3D | C2 | C1 | O1 | 0.0° | 0.1° |
| C3D | C2 | C1 | C6 | 179.8° | 180.0° |
| C2 | C3D | C3C | C3B | 0.0° | 0.0° |
| C2 | C3D | C3C | H3D | 180.0° | 179.9° |
| C2 | C3D | C3C | H3C | 179.9° | 179.9° |
| O1 | C1 | C6 | C6M | 0.0° | 0.1° |
| C1 | C6 | C6M | H6M1 | 0.1° | 0.1° |
| C1 | C6 | C6M | H6M2 | 125.4° | 120.0° |
| C1 | C6 | C6M | H6M3 | 125.1° | 120.0° |
| C6 | C6M | H6M1 | H6M2 | 125.3° | 120.1° |
| C6 | C6M | H6M1 | H6M3 | 125.2° | 120.0° |
| C6 | C6M | H6M2 | H6M3 | 112.6° | 120.0° |
| C3A | C3B | C3C | H3B | 180.0° | 180.0° |
| C3A | C3B | C3C | C3D | 0.1° | 0.0° |
| C3A | C3B | C3C | H3C | 179.9° | 180.0° |
| H3A | C3A | C3B | C3C | 179.9° | 179.9° |
| H3A | C3A | C3B | H3B | 0.1° | 0.0° |
| C3B | C3C | C3D | H3C | 180.0° | 180.0° |
| C3B | C3C | C3D | H3D | 180.0° | 180.0° |
| H3B | C3B | C3C | C3D | 179.9° | 180.0° |
| H3B | C3B | C3C | H3C | 0.1° | 0.0° |
| H3C | C3C | C3D | H3D | 0.1° | 0.0° |
| H6M1 | C6M | H6M2 | H6M3 | 112.5° | 119.9° |
