4MX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C11 | doub | 1.22Å | 1.25Å | |
| O2 | C9 | sing | 1.36Å | 1.36Å | |
| C11 | C10 | sing | 1.47Å | 1.51Å | |
| C11 | O1 | sing | 1.35Å | 1.25Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.49Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C5 | doub | 1.40Å | 1.48Å | Aromatic |
| C7 | O3 | sing | 1.36Å | 1.36Å | |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C11 | C10 | 117.2° | 120.0° |
| O | C11 | O1 | 120.5° | 120.0° |
| O2 | C9 | C8 | 120.0° | 120.2° |
| O2 | C9 | C10 | 120.1° | 120.1° |
| C9 | O2 | H4 | 109.5° | 114.0° |
| C10 | C11 | O1 | 122.3° | 120.0° |
| C11 | C10 | C9 | 118.8° | 120.1° |
| C11 | C10 | C5 | 124.2° | 120.1° |
| C11 | O1 | H3 | 109.5° | 117.0° |
| C8 | C9 | C10 | 119.9° | 119.7° |
| C9 | C8 | C7 | 121.0° | 120.1° |
| C9 | C8 | H12 | 119.5° | 120.0° |
| C9 | C10 | C5 | 117.0° | 119.7° |
| C8 | C7 | O3 | 119.8° | 119.9° |
| C8 | C7 | C6 | 121.2° | 120.3° |
| C7 | C8 | H12 | 119.5° | 120.0° |
| C10 | C5 | C6 | 118.9° | 119.9° |
| C10 | C5 | C4 | 122.3° | 120.0° |
| O3 | C7 | C6 | 118.9° | 119.9° |
| C7 | O3 | H13 | 109.5° | 114.0° |
| C7 | C6 | C5 | 122.1° | 120.3° |
| C7 | C6 | H11 | 119.0° | 119.9° |
| C6 | C5 | C4 | 118.8° | 120.1° |
| C5 | C6 | H11 | 119.0° | 119.8° |
| C5 | C4 | C3 | 112.4° | 109.5° |
| C5 | C4 | H9 | 108.7° | 109.5° |
| C5 | C4 | H10 | 108.7° | 109.5° |
| C4 | C3 | C2 | 107.9° | 109.5° |
| C4 | C3 | H7 | 109.9° | 109.5° |
| C4 | C3 | H8 | 109.9° | 109.5° |
| C3 | C4 | H9 | 108.7° | 109.5° |
| C3 | C4 | H10 | 108.8° | 109.4° |
| C3 | C2 | C1 | 111.4° | 109.5° |
| C3 | C2 | H5 | 109.0° | 109.5° |
| C3 | C2 | H6 | 109.0° | 109.5° |
| C2 | C3 | H7 | 109.9° | 109.5° |
| C2 | C3 | H8 | 109.9° | 109.5° |
| C2 | C1 | C | 109.7° | 109.5° |
| C2 | C1 | H1 | 109.4° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C1 | C2 | H5 | 109.0° | 109.5° |
| C1 | C2 | H6 | 109.0° | 109.5° |
| C | C1 | H1 | 109.4° | 109.4° |
| C | C1 | H2 | 109.4° | 109.4° |
| C1 | C | H14 | 109.5° | 109.4° |
| C1 | C | H15 | 109.5° | 109.4° |
| C1 | C | H16 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.4° |
| H7 | C3 | H8 | 109.4° | 109.4° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
| H14 | C | H16 | 109.5° | 109.5° |
| H15 | C | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C11 | C10 | O1 | 178.1° | 180.0° |
| O | C11 | C10 | C9 | 21.3° | 90.0° |
| O | C11 | C10 | C5 | 158.6° | 90.2° |
| O | C11 | O1 | H3 | 0.0° | 0.0° |
| O2 | C9 | C10 | C11 | 0.2° | 0.0° |
| O2 | C9 | C8 | C10 | 179.9° | 179.7° |
| O2 | C9 | C8 | C7 | 180.0° | 180.0° |
| O2 | C9 | C10 | C5 | 179.9° | 179.7° |
| O2 | C9 | C8 | H12 | 0.0° | 0.1° |
| C11 | C10 | C9 | C8 | 179.9° | 179.7° |
| C11 | C10 | C9 | C5 | 179.9° | 179.8° |
| C11 | C10 | C5 | C6 | 179.6° | 179.7° |
| C11 | C10 | C5 | C4 | 0.9° | 0.1° |
| C10 | C11 | O1 | H3 | 178.1° | 180.0° |
| O1 | C11 | C10 | C9 | 156.9° | 90.0° |
| O1 | C11 | C10 | C5 | 23.3° | 89.8° |
| C9 | C8 | C7 | H12 | 180.0° | 179.9° |
| C8 | C9 | C10 | C5 | 0.0° | 0.6° |
| C9 | C8 | C7 | O3 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C8 | C9 | O2 | H4 | 170.9° | 89.9° |
| C10 | C9 | C8 | C7 | 0.0° | 0.3° |
| C9 | C10 | C5 | C6 | 0.3° | 0.5° |
| C9 | C10 | C5 | C4 | 178.9° | 179.7° |
| C10 | C9 | O2 | H4 | 9.2° | 89.8° |
| C10 | C9 | C8 | H12 | 180.0° | 179.8° |
| C8 | C7 | O3 | C6 | 179.9° | 180.0° |
| C8 | C7 | C6 | C5 | 0.4° | 0.0° |
| C8 | C7 | C6 | H11 | 179.5° | 180.0° |
| C8 | C7 | O3 | H13 | 180.0° | 90.0° |
| C10 | C5 | C6 | C7 | 0.5° | 0.3° |
| C10 | C5 | C6 | C4 | 178.7° | 179.7° |
| C10 | C5 | C4 | C3 | 110.5° | 84.8° |
| C10 | C5 | C4 | H9 | 9.9° | 35.3° |
| C10 | C5 | C4 | H10 | 129.1° | 155.3° |
| C10 | C5 | C6 | H11 | 179.5° | 179.8° |
| O3 | C7 | C6 | C5 | 179.7° | 179.9° |
| O3 | C7 | C6 | H11 | 0.3° | 0.0° |
| O3 | C7 | C8 | H12 | 0.0° | 0.0° |
| C7 | C6 | C5 | H11 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 179.2° | 180.0° |
| C6 | C7 | C8 | H12 | 179.8° | 180.0° |
| C6 | C7 | O3 | H13 | 0.1° | 90.0° |
| C6 | C5 | C4 | C3 | 70.8° | 95.0° |
| C6 | C5 | C4 | H9 | 168.7° | 145.0° |
| C6 | C5 | C4 | H10 | 49.6° | 25.0° |
| C5 | C4 | C3 | H9 | 120.4° | 120.1° |
| C5 | C4 | C3 | H10 | 120.4° | 120.0° |
| C5 | C4 | C3 | C2 | 169.4° | 180.0° |
| C5 | C4 | C3 | H7 | 70.9° | 59.9° |
| C5 | C4 | C3 | H8 | 49.6° | 60.0° |
| C5 | C4 | H9 | H10 | 118.7° | 120.0° |
| C4 | C5 | C6 | H11 | 0.8° | 0.0° |
| C4 | C3 | C2 | H7 | 119.8° | 120.0° |
| C4 | C3 | C2 | H8 | 119.8° | 120.0° |
| C4 | C3 | C2 | C1 | 56.6° | 180.0° |
| C4 | C3 | C2 | H5 | 176.9° | 60.0° |
| C4 | C3 | C2 | H6 | 63.6° | 60.0° |
| C4 | C3 | H7 | H8 | 120.7° | 120.0° |
| C3 | C4 | H9 | H10 | 118.7° | 120.0° |
| C3 | C2 | C1 | H5 | 120.3° | 120.0° |
| C3 | C2 | C1 | H6 | 120.3° | 120.0° |
| C3 | C2 | C1 | C | 173.7° | 180.0° |
| C3 | C2 | C1 | H1 | 66.3° | 60.1° |
| C3 | C2 | C1 | H2 | 53.7° | 60.0° |
| C3 | C2 | H5 | H6 | 119.1° | 120.0° |
| C2 | C3 | H7 | H8 | 120.7° | 120.0° |
| C2 | C3 | C4 | H9 | 49.0° | 60.0° |
| C2 | C3 | C4 | H10 | 70.2° | 60.0° |
| C2 | C1 | C | H1 | 120.1° | 120.0° |
| C2 | C1 | C | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 119.9° | 120.1° |
| C1 | C2 | H5 | H6 | 119.1° | 120.0° |
| C1 | C2 | C3 | H7 | 63.1° | 60.0° |
| C1 | C2 | C3 | H8 | 176.4° | 60.0° |
| C2 | C1 | C | H14 | 180.0° | 180.0° |
| C2 | C1 | C | H15 | 60.0° | 60.0° |
| C2 | C1 | C | H16 | 60.0° | 60.0° |
| C | C1 | H1 | H2 | 119.9° | 119.9° |
| C | C1 | C2 | H5 | 53.4° | 60.0° |
| C | C1 | C2 | H6 | 66.0° | 60.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| H1 | C1 | C2 | H5 | 173.4° | 60.0° |
| H1 | C1 | C2 | H6 | 54.0° | 179.9° |
| H1 | C1 | C | H14 | 59.9° | 60.0° |
| H1 | C1 | C | H15 | 179.9° | 180.0° |
| H1 | C1 | C | H16 | 60.1° | 60.0° |
| H2 | C1 | C2 | H5 | 66.6° | 180.0° |
| H2 | C1 | C2 | H6 | 173.9° | 60.0° |
| H2 | C1 | C | H14 | 60.0° | 60.0° |
| H2 | C1 | C | H15 | 60.0° | 60.1° |
| H2 | C1 | C | H16 | 180.0° | 180.0° |
| H5 | C2 | C3 | H7 | 57.2° | 180.0° |
| H5 | C2 | C3 | H8 | 63.3° | 60.0° |
| H6 | C2 | C3 | H7 | 176.6° | 60.1° |
| H6 | C2 | C3 | H8 | 56.2° | 180.0° |
| H7 | C3 | C4 | H9 | 168.7° | 180.0° |
| H7 | C3 | C4 | H10 | 49.6° | 60.0° |
| H8 | C3 | C4 | H9 | 70.8° | 60.0° |
| H8 | C3 | C4 | H10 | 170.0° | 180.0° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
