WM6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C16 | sing | 1.53Å | 1.54Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | O3 | sing | 1.36Å | 1.37Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | O4 | sing | 1.36Å | 1.35Å | |
| C7 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.47Å | 1.49Å | |
| C9 | O5 | doub | 1.22Å | 1.20Å | |
| C9 | O6 | sing | 1.35Å | 1.33Å | |
| O6 | C10 | sing | 1.45Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | O7 | doub | 1.21Å | 1.21Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | O8 | sing | 1.43Å | 1.41Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | O9 | sing | 1.43Å | 1.43Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.10Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| O8 | H16 | sing | 0.97Å | 0.95Å | |
| O9 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 109.5° | 109.4° |
| O1 | C1 | C16 | 110.7° | 109.8° |
| O1 | C1 | H2 | 109.9° | 108.6° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C2 | C1 | C16 | 109.4° | 111.0° |
| C1 | C2 | O2 | 106.0° | 109.6° |
| C2 | C1 | H2 | 108.8° | 109.0° |
| C1 | C2 | H3 | 110.3° | 109.1° |
| C1 | C2 | H4 | 110.3° | 110.8° |
| C1 | C16 | C15 | 114.5° | 110.3° |
| C1 | C16 | O9 | 108.2° | 110.1° |
| C16 | C1 | H2 | 108.5° | 109.1° |
| C1 | C16 | H17 | 107.8° | 108.8° |
| C2 | O2 | C3 | 117.4° | 117.2° |
| O2 | C2 | H3 | 110.3° | 108.9° |
| O2 | C2 | H4 | 110.3° | 109.5° |
| O2 | C3 | C4 | 120.8° | 119.9° |
| O2 | C3 | C8 | 118.5° | 120.2° |
| C4 | C3 | C8 | 120.7° | 119.9° |
| C3 | C4 | C5 | 120.1° | 120.2° |
| C3 | C4 | H5 | 120.0° | 119.9° |
| C3 | C8 | C7 | 117.8° | 119.4° |
| C3 | C8 | C9 | 124.6° | 119.9° |
| C4 | C5 | O3 | 119.0° | 119.8° |
| C4 | C5 | C6 | 120.9° | 120.3° |
| C5 | C4 | H5 | 120.0° | 120.0° |
| O3 | C5 | C6 | 120.1° | 119.9° |
| C5 | O3 | H6 | 109.5° | 114.0° |
| C5 | C6 | C7 | 118.9° | 120.2° |
| C5 | C6 | H7 | 120.6° | 119.9° |
| C6 | C7 | O4 | 118.8° | 119.5° |
| C6 | C7 | C8 | 121.6° | 119.9° |
| C7 | C6 | H7 | 120.6° | 119.8° |
| O4 | C7 | C8 | 119.5° | 120.6° |
| C7 | O4 | H8 | 109.5° | 114.0° |
| C7 | C8 | C9 | 117.6° | 120.7° |
| C8 | C9 | O5 | 123.3° | 119.5° |
| C8 | C9 | O6 | 114.4° | 120.7° |
| O5 | C9 | O6 | 122.1° | 119.8° |
| C9 | O6 | C10 | 115.1° | 118.0° |
| O6 | C10 | C11 | 108.7° | 110.2° |
| O6 | C10 | H9 | 109.7° | 109.6° |
| O6 | C10 | H10 | 109.7° | 109.4° |
| C10 | C11 | C12 | 115.6° | 109.4° |
| C11 | C10 | H9 | 109.7° | 109.5° |
| C11 | C10 | H10 | 109.7° | 109.1° |
| C10 | C11 | H12 | 107.9° | 109.9° |
| C10 | C11 | H11 | 107.9° | 109.4° |
| C11 | C12 | C13 | 117.0° | 109.6° |
| C12 | C11 | H12 | 107.9° | 109.7° |
| C12 | C11 | H11 | 107.9° | 109.1° |
| C11 | C12 | H13 | 107.6° | 109.3° |
| C11 | C12 | H121 | 107.5° | 109.5° |
| C12 | C13 | C14 | 113.1° | 109.7° |
| C13 | C12 | H13 | 107.5° | 109.5° |
| C13 | C12 | H121 | 107.6° | 109.6° |
| C12 | C13 | H14 | 108.6° | 109.6° |
| C12 | C13 | H131 | 108.6° | 109.4° |
| C13 | C14 | O7 | 120.9° | 119.8° |
| C13 | C14 | C15 | 120.4° | 119.8° |
| C14 | C13 | H14 | 108.5° | 109.5° |
| C14 | C13 | H131 | 108.6° | 109.2° |
| O7 | C14 | C15 | 118.7° | 120.4° |
| C14 | C15 | O8 | 110.0° | 108.8° |
| C14 | C15 | C16 | 114.0° | 110.0° |
| C14 | C15 | H15 | 108.1° | 109.4° |
| O8 | C15 | C16 | 106.9° | 109.4° |
| O8 | C15 | H15 | 109.6° | 109.3° |
| C15 | O8 | H16 | 109.5° | 114.0° |
| C15 | C16 | O9 | 109.4° | 110.1° |
| C16 | C15 | H15 | 108.1° | 109.9° |
| C15 | C16 | H17 | 107.8° | 108.9° |
| O9 | C16 | H17 | 109.1° | 108.6° |
| C16 | O9 | H18 | 109.5° | 114.0° |
| H3 | C2 | H4 | 109.5° | 108.9° |
| H9 | C10 | H10 | 109.5° | 109.0° |
| H12 | C11 | H11 | 109.5° | 109.3° |
| H13 | C12 | H121 | 109.5° | 109.2° |
| H14 | C13 | H131 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C16 | 121.4° | 121.3° |
| O1 | C1 | C2 | H2 | 120.2° | 118.6° |
| O1 | C1 | C16 | H2 | 120.7° | 118.9° |
| O1 | C1 | C2 | O2 | 163.5° | 22.6° |
| O1 | C1 | C16 | C15 | 70.2° | 39.1° |
| O1 | C1 | C16 | O9 | 52.0° | 160.9° |
| O1 | C1 | C2 | H3 | 77.0° | 96.6° |
| O1 | C1 | C2 | H4 | 44.1° | 143.5° |
| O1 | C1 | C16 | H17 | 169.8° | 80.2° |
| C2 | C1 | C16 | H2 | 118.6° | 120.0° |
| C1 | C2 | O2 | H3 | 119.4° | 119.3° |
| C1 | C2 | O2 | H4 | 119.5° | 121.7° |
| C1 | C2 | O2 | C3 | 177.5° | 170.5° |
| C2 | C1 | C16 | C15 | 169.1° | 81.9° |
| C2 | C1 | C16 | O9 | 68.7° | 39.9° |
| C1 | C2 | H3 | H4 | 121.6° | 121.0° |
| C2 | C1 | C16 | H17 | 49.1° | 158.8° |
| C2 | C1 | O1 | H1 | 180.0° | 60.0° |
| C16 | C1 | C2 | O2 | 75.1° | 98.7° |
| C1 | C16 | C15 | C14 | 65.1° | 158.4° |
| C1 | C16 | C15 | O8 | 56.6° | 82.1° |
| C1 | C16 | C15 | O9 | 121.5° | 121.8° |
| C1 | C16 | C15 | H17 | 119.9° | 119.3° |
| C1 | C16 | O9 | H17 | 117.0° | 119.0° |
| C1 | C16 | C15 | H15 | 174.6° | 37.9° |
| C16 | C1 | C2 | H3 | 44.4° | 142.1° |
| C16 | C1 | C2 | H4 | 165.5° | 22.2° |
| C16 | C1 | O1 | H1 | 59.4° | 178.0° |
| C1 | C16 | O9 | H18 | 180.0° | 178.1° |
| C2 | O2 | C3 | C4 | 14.7° | 83.8° |
| C2 | O2 | C3 | C8 | 164.4° | 96.9° |
| O2 | C2 | C1 | H2 | 43.4° | 141.2° |
| O2 | C2 | H3 | H4 | 121.6° | 119.3° |
| O2 | C3 | C4 | C8 | 179.1° | 179.3° |
| O2 | C3 | C4 | C5 | 179.6° | 178.3° |
| O2 | C3 | C8 | C7 | 178.9° | 177.2° |
| O2 | C3 | C8 | C9 | 1.2° | 3.7° |
| C3 | O2 | C2 | H3 | 63.0° | 51.2° |
| C3 | O2 | C2 | H4 | 58.1° | 67.8° |
| O2 | C3 | C4 | H5 | 0.4° | 1.8° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | O3 | 179.8° | 179.7° |
| C3 | C4 | C5 | C6 | 0.6° | 0.4° |
| C4 | C3 | C8 | C7 | 0.2° | 2.2° |
| C4 | C3 | C8 | C9 | 179.7° | 177.0° |
| C8 | C3 | C4 | C5 | 0.5° | 1.0° |
| C3 | C8 | C7 | C6 | 0.8° | 2.0° |
| C3 | C8 | C7 | O4 | 179.0° | 178.3° |
| C3 | C8 | C7 | C9 | 179.9° | 179.2° |
| C3 | C8 | C9 | O5 | 177.5° | 13.0° |
| C3 | C8 | C9 | O6 | 6.1° | 165.9° |
| C8 | C3 | C4 | H5 | 179.5° | 178.9° |
| C4 | C5 | O3 | C6 | 179.7° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.5° |
| C4 | C5 | C6 | H7 | 180.0° | 179.6° |
| C4 | C5 | O3 | H6 | 180.0° | 90.0° |
| O3 | C5 | C6 | C7 | 179.6° | 179.5° |
| O3 | C5 | C4 | H5 | 0.2° | 0.2° |
| O3 | C5 | C6 | H7 | 0.4° | 0.4° |
| C5 | C6 | C7 | H7 | 180.0° | 179.9° |
| C5 | C6 | C7 | O4 | 179.0° | 179.6° |
| C5 | C6 | C7 | C8 | 0.8° | 0.7° |
| C6 | C5 | C4 | H5 | 179.4° | 179.8° |
| C6 | C5 | O3 | H6 | 0.3° | 90.0° |
| C6 | C7 | O4 | C8 | 178.2° | 179.7° |
| C6 | C7 | C8 | C9 | 179.1° | 177.2° |
| C6 | C7 | O4 | H8 | 179.8° | 90.0° |
| O4 | C7 | C8 | C9 | 0.9° | 2.5° |
| O4 | C7 | C6 | H7 | 1.1° | 0.5° |
| C7 | C8 | C9 | O5 | 2.6° | 166.2° |
| C7 | C8 | C9 | O6 | 173.8° | 15.0° |
| C8 | C7 | C6 | H7 | 179.3° | 179.3° |
| C8 | C7 | O4 | H8 | 1.9° | 89.7° |
| C8 | C9 | O5 | O6 | 176.2° | 178.8° |
| C8 | C9 | O6 | C10 | 178.5° | 176.5° |
| O5 | C9 | O6 | C10 | 5.0° | 4.7° |
| C9 | O6 | C10 | C11 | 178.4° | 55.1° |
| C9 | O6 | C10 | H9 | 58.5° | 65.5° |
| C9 | O6 | C10 | H10 | 61.7° | 175.1° |
| O6 | C10 | C11 | H9 | 119.9° | 120.7° |
| O6 | C10 | C11 | H10 | 119.9° | 120.1° |
| O6 | C10 | C11 | C12 | 60.1° | 117.8° |
| O6 | C10 | H9 | H10 | 120.4° | 119.7° |
| O6 | C10 | C11 | H12 | 179.0° | 2.6° |
| O6 | C10 | C11 | H11 | 60.7° | 122.6° |
| C10 | C11 | C12 | H12 | 120.9° | 120.6° |
| C10 | C11 | C12 | H11 | 120.9° | 119.7° |
| C10 | C11 | C12 | C13 | 165.1° | 158.7° |
| C11 | C10 | H9 | H10 | 120.4° | 119.3° |
| C10 | C11 | H12 | H11 | 117.2° | 120.1° |
| C10 | C11 | C12 | H13 | 44.1° | 81.3° |
| C10 | C11 | C12 | H121 | 73.8° | 38.4° |
| C11 | C12 | C13 | H13 | 121.1° | 119.9° |
| C11 | C12 | C13 | H121 | 121.1° | 120.3° |
| C11 | C12 | C13 | C14 | 64.6° | 124.7° |
| C12 | C11 | C10 | H9 | 59.8° | 2.8° |
| C12 | C11 | C10 | H10 | 180.0° | 122.1° |
| C12 | C11 | H12 | H11 | 117.2° | 119.6° |
| C11 | C12 | H13 | H121 | 116.6° | 119.9° |
| C11 | C12 | C13 | H14 | 174.9° | 4.5° |
| C11 | C12 | C13 | H131 | 56.0° | 115.5° |
| C12 | C13 | C14 | H14 | 120.5° | 120.3° |
| C12 | C13 | C14 | H131 | 120.6° | 119.8° |
| C12 | C13 | C14 | O7 | 84.5° | 80.6° |
| C12 | C13 | C14 | C15 | 96.0° | 100.1° |
| C13 | C12 | C11 | H12 | 74.0° | 38.1° |
| C13 | C12 | C11 | H11 | 44.3° | 81.6° |
| C13 | C12 | H13 | H121 | 116.6° | 120.1° |
| C12 | C13 | H14 | H131 | 118.4° | 120.0° |
| C13 | C14 | O7 | C15 | 179.6° | 179.3° |
| C13 | C14 | C15 | O8 | 152.1° | 88.0° |
| C13 | C14 | C15 | C16 | 87.8° | 152.2° |
| C13 | C14 | C15 | H15 | 32.4° | 31.4° |
| C14 | C13 | C12 | H13 | 56.5° | 115.4° |
| C14 | C13 | C12 | H121 | 174.4° | 4.5° |
| C14 | C13 | H14 | H131 | 118.3° | 119.7° |
| O7 | C14 | C15 | O8 | 27.4° | 91.4° |
| O7 | C14 | C15 | C16 | 92.6° | 28.5° |
| O7 | C14 | C15 | H15 | 147.2° | 149.3° |
| O7 | C14 | C13 | H14 | 155.0° | 159.1° |
| O7 | C14 | C13 | H131 | 36.1° | 39.2° |
| C14 | C15 | O8 | C16 | 124.3° | 120.2° |
| C14 | C15 | O8 | H15 | 118.8° | 119.4° |
| C14 | C15 | C16 | H15 | 120.3° | 120.5° |
| C14 | C15 | C16 | O9 | 173.3° | 36.7° |
| C15 | C14 | C13 | H14 | 24.6° | 20.2° |
| C15 | C14 | C13 | H131 | 143.5° | 140.1° |
| C14 | C15 | C16 | H17 | 54.8° | 82.3° |
| C14 | C15 | O8 | H16 | 12.0° | 59.8° |
| O8 | C15 | C16 | H15 | 117.9° | 120.0° |
| O8 | C15 | C16 | O9 | 64.9° | 156.1° |
| O8 | C15 | C16 | H17 | 176.6° | 37.2° |
| C15 | C16 | O9 | H17 | 117.8° | 119.1° |
| C15 | C16 | C1 | H2 | 50.5° | 158.1° |
| C16 | C15 | O8 | H16 | 112.3° | 180.0° |
| C15 | C16 | O9 | H18 | 54.7° | 60.0° |
| O9 | C16 | C15 | H15 | 53.0° | 83.9° |
| O9 | C16 | C1 | H2 | 172.7° | 80.2° |
| H15 | C15 | C16 | H17 | 65.5° | 157.2° |
| H15 | C15 | O8 | H16 | 130.8° | 59.6° |
| H2 | C1 | C2 | H3 | 162.8° | 22.0° |
| H2 | C1 | C2 | H4 | 76.1° | 97.9° |
| H2 | C1 | C16 | H17 | 69.5° | 38.7° |
| H2 | C1 | O1 | H1 | 60.5° | 58.8° |
| H9 | C10 | C11 | H12 | 61.1° | 123.3° |
| H9 | C10 | C11 | H11 | 179.4° | 116.7° |
| H10 | C10 | C11 | H12 | 59.1° | 117.4° |
| H10 | C10 | C11 | H11 | 59.1° | 2.5° |
| H12 | C11 | C12 | H13 | 165.0° | 158.1° |
| H12 | C11 | C12 | H121 | 47.1° | 82.2° |
| H11 | C11 | C12 | H13 | 76.8° | 38.4° |
| H11 | C11 | C12 | H121 | 165.4° | 158.1° |
| H13 | C12 | C13 | H14 | 64.0° | 124.5° |
| H13 | C12 | C13 | H131 | 177.1° | 4.4° |
| H121 | C12 | C13 | H14 | 53.8° | 115.7° |
| H121 | C12 | C13 | H131 | 65.1° | 124.2° |
| H17 | C16 | O9 | H18 | 63.0° | 59.1° |
