M6X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | N2 | sing | 1.42Å | 1.39Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.36Å | Aromatic |
| O2 | C2 | sing | 1.37Å | 1.37Å | |
| O2 | C7 | sing | 1.44Å | 1.43Å | |
| N2 | C13 | sing | 1.35Å | 1.31Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | O1 | sing | 1.44Å | 1.43Å | |
| C5 | C8 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.38Å | |
| C1 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C10 | N1 | sing | 1.47Å | 1.50Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| C9 | C11 | sing | 1.51Å | 1.51Å | |
| C14 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.36Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | O4 | sing | 1.37Å | 1.38Å | |
| C17 | O5 | sing | 1.37Å | 1.38Å | |
| O4 | C19 | sing | 1.44Å | 1.43Å | |
| C19 | O5 | sing | 1.44Å | 1.43Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å | |
| O6 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | N2 | C13 | 120.6° | 119.9° |
| O6 | N2 | H20 | 119.7° | 120.1° |
| N2 | O6 | H21 | 109.5° | 114.0° |
| C4 | C3 | C2 | 116.4° | 120.0° |
| C3 | C4 | C5 | 122.3° | 120.2° |
| C3 | C4 | H2 | 118.9° | 119.9° |
| C4 | C3 | H17 | 121.8° | 120.0° |
| C3 | C2 | O2 | 128.5° | 131.5° |
| C3 | C2 | C1 | 121.9° | 119.9° |
| C2 | C3 | H17 | 121.8° | 120.0° |
| C2 | O2 | C7 | 104.5° | 105.4° |
| O2 | C2 | C1 | 109.5° | 108.7° |
| O2 | C7 | O1 | 107.3° | 103.8° |
| O2 | C7 | H4 | 110.0° | 110.6° |
| O2 | C7 | H5 | 110.0° | 110.7° |
| N2 | C13 | O3 | 123.2° | 120.1° |
| N2 | C13 | C12 | 115.2° | 120.0° |
| C13 | N2 | H20 | 119.7° | 120.0° |
| C4 | C5 | C8 | 120.6° | 120.0° |
| C4 | C5 | C6 | 119.8° | 120.1° |
| C5 | C4 | H2 | 118.8° | 119.9° |
| C2 | C1 | O1 | 109.6° | 108.6° |
| C2 | C1 | C6 | 122.1° | 119.8° |
| C7 | O1 | C1 | 104.4° | 105.5° |
| O1 | C7 | H4 | 110.1° | 110.6° |
| O1 | C7 | H5 | 110.0° | 110.5° |
| C8 | C5 | C6 | 119.6° | 119.9° |
| C5 | C8 | N1 | 112.6° | 109.5° |
| C5 | C8 | H6 | 108.7° | 109.5° |
| C5 | C8 | H7 | 108.7° | 109.5° |
| C5 | C6 | C1 | 117.4° | 120.0° |
| C5 | C6 | H3 | 121.3° | 120.0° |
| O1 | C1 | C6 | 128.3° | 131.5° |
| C1 | C6 | H3 | 121.3° | 120.0° |
| N1 | C10 | C12 | 115.2° | 109.5° |
| C10 | N1 | C8 | 113.6° | 111.0° |
| C10 | N1 | C9 | 115.6° | 111.0° |
| N1 | C10 | H8 | 108.0° | 109.5° |
| N1 | C10 | H9 | 108.0° | 109.5° |
| C10 | C12 | C13 | 113.7° | 109.5° |
| C12 | C10 | H8 | 108.0° | 109.5° |
| C12 | C10 | H9 | 108.0° | 109.4° |
| C10 | C12 | H11 | 108.4° | 109.4° |
| C10 | C12 | H12 | 108.4° | 109.4° |
| O3 | C13 | C12 | 121.5° | 120.0° |
| C13 | C12 | H11 | 108.4° | 109.5° |
| C13 | C12 | H12 | 108.4° | 109.5° |
| C8 | N1 | C9 | 111.8° | 111.0° |
| N1 | C8 | H6 | 108.7° | 109.5° |
| N1 | C8 | H7 | 108.6° | 109.5° |
| N1 | C9 | C11 | 113.7° | 109.5° |
| N1 | C9 | H18 | 108.4° | 109.5° |
| N1 | C9 | H19 | 108.4° | 109.4° |
| C9 | C11 | C14 | 120.4° | 120.0° |
| C9 | C11 | C18 | 119.9° | 119.9° |
| C11 | C9 | H18 | 108.4° | 109.5° |
| C11 | C9 | H19 | 108.4° | 109.4° |
| C11 | C14 | C15 | 122.4° | 120.2° |
| C14 | C11 | C18 | 119.7° | 120.1° |
| C11 | C14 | H13 | 118.8° | 119.9° |
| C14 | C15 | C16 | 116.4° | 120.0° |
| C14 | C15 | H10 | 121.8° | 120.0° |
| C15 | C14 | H13 | 118.8° | 119.9° |
| C11 | C18 | C17 | 117.3° | 120.0° |
| C11 | C18 | H14 | 121.3° | 120.0° |
| C15 | C16 | C17 | 121.9° | 119.8° |
| C15 | C16 | O4 | 128.6° | 131.5° |
| C16 | C15 | H10 | 121.8° | 120.0° |
| C18 | C17 | C16 | 122.3° | 119.8° |
| C18 | C17 | O5 | 128.3° | 131.6° |
| C17 | C18 | H14 | 121.3° | 119.9° |
| C17 | C16 | O4 | 109.5° | 108.6° |
| C16 | C17 | O5 | 109.4° | 108.6° |
| C16 | O4 | C19 | 103.9° | 105.5° |
| C17 | O5 | C19 | 103.9° | 105.5° |
| O4 | C19 | O5 | 106.8° | 103.8° |
| O4 | C19 | H15 | 110.1° | 110.6° |
| O4 | C19 | H16 | 110.1° | 110.7° |
| O5 | C19 | H15 | 110.1° | 110.5° |
| O5 | C19 | H16 | 110.1° | 110.6° |
| H4 | C7 | H5 | 109.5° | 110.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.4° |
| H11 | C12 | H12 | 109.4° | 109.5° |
| H15 | C19 | H16 | 109.5° | 110.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | N2 | C13 | H20 | 180.0° | 179.9° |
| O6 | N2 | C13 | O3 | 43.7° | 0.1° |
| O6 | N2 | C13 | C12 | 137.3° | 180.0° |
| C4 | C3 | C2 | H17 | 180.0° | 179.4° |
| C4 | C3 | C2 | O2 | 179.7° | 179.8° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 0.2° | 0.5° |
| C3 | C4 | C5 | C8 | 179.8° | 179.7° |
| C3 | C4 | C5 | C6 | 0.8° | 0.3° |
| C3 | C2 | O2 | C1 | 179.9° | 179.7° |
| C3 | C2 | O2 | C7 | 167.0° | 162.5° |
| C2 | C3 | C4 | C5 | 0.6° | 0.5° |
| C3 | C2 | C1 | O1 | 180.0° | 179.7° |
| C3 | C2 | C1 | C6 | 0.0° | 0.2° |
| C2 | C3 | C4 | H2 | 179.4° | 179.7° |
| C2 | O2 | C7 | O1 | 21.1° | 27.0° |
| O2 | C2 | C1 | O1 | 0.0° | 0.0° |
| O2 | C2 | C1 | C6 | 180.0° | 180.0° |
| C2 | O2 | C7 | H4 | 98.6° | 145.7° |
| C2 | O2 | C7 | H5 | 140.8° | 91.5° |
| O2 | C2 | C3 | H17 | 0.3° | 0.4° |
| C7 | O2 | C2 | C1 | 13.1° | 17.3° |
| O2 | C7 | O1 | H4 | 119.6° | 118.6° |
| O2 | C7 | O1 | H5 | 119.7° | 118.7° |
| O2 | C7 | O1 | C1 | 21.1° | 27.0° |
| O2 | C7 | H4 | H5 | 121.0° | 122.9° |
| N2 | C13 | C12 | C10 | 64.7° | 180.0° |
| N2 | C13 | O3 | C12 | 178.9° | 179.9° |
| N2 | C13 | C12 | H11 | 174.7° | 60.0° |
| N2 | C13 | C12 | H12 | 56.0° | 60.1° |
| C13 | N2 | O6 | H21 | 18.9° | 180.0° |
| C4 | C5 | C8 | C6 | 179.4° | 180.0° |
| C4 | C5 | C6 | C1 | 0.6° | 0.0° |
| C4 | C5 | C8 | N1 | 37.6° | 95.9° |
| C4 | C5 | C6 | H3 | 179.4° | 180.0° |
| C4 | C5 | C8 | H6 | 82.9° | 24.1° |
| C4 | C5 | C8 | H7 | 158.0° | 144.1° |
| C5 | C4 | C3 | H17 | 179.4° | 180.0° |
| C2 | C1 | O1 | C7 | 13.1° | 17.2° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | O1 | C6 | 180.0° | 179.9° |
| C2 | C1 | C6 | H3 | 179.8° | 180.0° |
| C1 | C2 | C3 | H17 | 179.8° | 180.0° |
| C7 | O1 | C1 | C6 | 166.9° | 162.7° |
| O1 | C7 | H4 | H5 | 121.0° | 122.7° |
| C8 | C5 | C6 | C1 | 179.9° | 180.0° |
| C5 | C8 | N1 | C10 | 139.7° | 160.5° |
| C5 | C8 | N1 | H6 | 120.5° | 120.0° |
| C5 | C8 | N1 | H7 | 120.5° | 120.0° |
| C5 | C8 | N1 | C9 | 87.3° | 75.6° |
| C8 | C5 | C4 | H2 | 0.2° | 0.0° |
| C8 | C5 | C6 | H3 | 0.1° | 0.0° |
| C5 | C8 | H6 | H7 | 118.6° | 120.0° |
| C5 | C6 | C1 | O1 | 179.9° | 180.0° |
| C5 | C6 | C1 | H3 | 180.0° | 179.9° |
| C6 | C5 | C8 | N1 | 141.8° | 84.1° |
| C6 | C5 | C4 | H2 | 179.2° | 180.0° |
| C6 | C5 | C8 | H6 | 97.8° | 155.9° |
| C6 | C5 | C8 | H7 | 21.3° | 35.9° |
| O1 | C1 | C6 | H3 | 0.1° | 0.1° |
| C1 | O1 | C7 | H4 | 98.5° | 145.6° |
| C1 | O1 | C7 | H5 | 140.7° | 91.6° |
| N1 | C10 | C12 | H8 | 120.8° | 120.1° |
| N1 | C10 | C12 | H9 | 120.9° | 120.0° |
| N1 | C10 | C12 | C13 | 94.2° | 179.4° |
| C10 | N1 | C8 | C9 | 133.0° | 123.9° |
| C10 | N1 | C9 | C11 | 51.3° | 66.1° |
| C10 | N1 | C8 | H6 | 19.2° | 79.5° |
| C10 | N1 | C8 | H7 | 99.8° | 40.5° |
| N1 | C10 | H8 | H9 | 117.4° | 120.0° |
| N1 | C10 | C12 | H11 | 26.4° | 60.6° |
| N1 | C10 | C12 | H12 | 145.2° | 59.3° |
| C10 | N1 | C9 | H18 | 69.3° | 54.0° |
| C10 | N1 | C9 | H19 | 171.9° | 174.0° |
| C10 | C12 | C13 | O3 | 116.4° | 0.0° |
| C10 | C12 | C13 | H11 | 120.6° | 120.0° |
| C10 | C12 | C13 | H12 | 120.7° | 119.9° |
| C12 | C10 | N1 | C8 | 66.6° | 72.2° |
| C12 | C10 | N1 | C9 | 64.6° | 163.8° |
| C12 | C10 | H8 | H9 | 117.4° | 119.9° |
| C10 | C12 | H11 | H12 | 118.1° | 119.9° |
| O3 | C13 | C12 | H11 | 4.3° | 119.9° |
| O3 | C13 | C12 | H12 | 123.0° | 120.0° |
| O3 | C13 | N2 | H20 | 136.2° | 180.0° |
| C13 | C12 | C10 | H8 | 145.0° | 59.3° |
| C13 | C12 | C10 | H9 | 26.6° | 60.6° |
| C13 | C12 | H11 | H12 | 118.0° | 120.1° |
| C12 | C13 | N2 | H20 | 42.7° | 0.1° |
| C8 | N1 | C9 | C11 | 176.7° | 170.0° |
| N1 | C8 | H6 | H7 | 118.5° | 120.0° |
| C8 | N1 | C10 | H8 | 172.6° | 47.8° |
| C8 | N1 | C10 | H9 | 54.3° | 167.8° |
| C8 | N1 | C9 | H18 | 62.7° | 69.9° |
| C8 | N1 | C9 | H19 | 56.1° | 50.1° |
| N1 | C9 | C11 | H18 | 120.6° | 120.0° |
| N1 | C9 | C11 | H19 | 120.6° | 119.9° |
| N1 | C9 | C11 | C14 | 88.9° | 89.2° |
| N1 | C9 | C11 | C18 | 91.4° | 90.0° |
| C9 | N1 | C8 | H6 | 152.3° | 44.4° |
| C9 | N1 | C8 | H7 | 33.2° | 164.4° |
| C9 | N1 | C10 | H8 | 56.2° | 76.1° |
| C9 | N1 | C10 | H9 | 174.6° | 43.8° |
| N1 | C9 | H18 | H19 | 118.1° | 120.0° |
| C9 | C11 | C14 | C18 | 179.7° | 179.2° |
| C9 | C11 | C14 | C15 | 179.9° | 179.7° |
| C9 | C11 | C18 | C17 | 179.7° | 180.0° |
| C9 | C11 | C14 | H13 | 0.1° | 0.2° |
| C9 | C11 | C18 | H14 | 0.3° | 0.8° |
| C11 | C9 | H18 | H19 | 118.1° | 120.0° |
| C11 | C14 | C15 | H13 | 180.0° | 179.9° |
| C11 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C11 | C18 | C17 | 0.7° | 0.7° |
| C11 | C14 | C15 | H10 | 180.0° | 179.8° |
| C14 | C11 | C18 | H14 | 179.4° | 180.0° |
| C14 | C11 | C9 | H18 | 150.5° | 150.8° |
| C14 | C11 | C9 | H19 | 31.7° | 30.7° |
| C15 | C14 | C11 | C18 | 0.4° | 0.5° |
| C14 | C15 | C16 | H10 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.2° | 0.2° |
| C14 | C15 | C16 | O4 | 179.9° | 179.8° |
| C11 | C18 | C17 | H14 | 180.0° | 179.2° |
| C11 | C18 | C17 | C16 | 0.5° | 0.5° |
| C11 | C18 | C17 | O5 | 179.6° | 179.5° |
| C18 | C11 | C14 | H13 | 179.6° | 179.4° |
| C18 | C11 | C9 | H18 | 29.2° | 30.0° |
| C18 | C11 | C9 | H19 | 148.0° | 150.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | O4 | 179.9° | 180.0° |
| C15 | C16 | C17 | O5 | 180.0° | 180.0° |
| C15 | C16 | O4 | C19 | 164.7° | 162.7° |
| C16 | C15 | C14 | H13 | 180.0° | 179.9° |
| C18 | C17 | C16 | O5 | 179.9° | 180.0° |
| C18 | C17 | C16 | O4 | 179.8° | 179.9° |
| C18 | C17 | O5 | C19 | 164.9° | 162.7° |
| C17 | C16 | O4 | C19 | 15.3° | 17.2° |
| C16 | C17 | O5 | C19 | 15.2° | 17.3° |
| C17 | C16 | C15 | H10 | 179.8° | 180.0° |
| C16 | C17 | C18 | H14 | 179.5° | 179.7° |
| O4 | C16 | C17 | O5 | 0.1° | 0.0° |
| C16 | O4 | C19 | O5 | 24.6° | 27.1° |
| O4 | C16 | C15 | H10 | 0.1° | 0.0° |
| C16 | O4 | C19 | H15 | 144.2° | 145.6° |
| C16 | O4 | C19 | H16 | 94.9° | 91.5° |
| C17 | O5 | C19 | O4 | 24.6° | 27.1° |
| O5 | C17 | C18 | H14 | 0.4° | 0.3° |
| C17 | O5 | C19 | H15 | 144.1° | 145.7° |
| C17 | O5 | C19 | H16 | 95.0° | 91.6° |
| O4 | C19 | O5 | H15 | 119.6° | 118.6° |
| O4 | C19 | O5 | H16 | 119.6° | 118.8° |
| O4 | C19 | H15 | H16 | 121.2° | 123.0° |
| O5 | C19 | H15 | H16 | 121.2° | 122.7° |
| H2 | C4 | C3 | H17 | 0.6° | 0.3° |
| H8 | C10 | C12 | H11 | 94.4° | 179.3° |
| H8 | C10 | C12 | H12 | 24.3° | 60.7° |
| H9 | C10 | C12 | H11 | 147.3° | 59.4° |
| H9 | C10 | C12 | H12 | 94.0° | 179.4° |
| H10 | C15 | C14 | H13 | 0.0° | 0.3° |
| H20 | N2 | O6 | H21 | 161.1° | 0.1° |
