M7W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| O | C1 | sing | 1.36Å | 1.35Å | |
| O | C | sing | 1.43Å | 1.42Å | |
| C1 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | N | sing | 1.47Å | 1.45Å | |
| O1 | C6 | doub | 1.22Å | 1.22Å | |
| N3 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | N | sing | 1.35Å | 1.35Å | |
| C6 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C17 | sing | 1.47Å | 1.47Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C18 | N2 | sing | 1.47Å | 1.46Å | |
| C8 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C9 | sing | 1.39Å | 1.39Å | |
| C9 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.37Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.38Å | Aromatic |
| C16 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.47Å | 1.49Å | |
| C13 | O2 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| N | H20 | sing | 0.97Å | 1.00Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 117.4° | 119.1° |
| C2 | C3 | C4 | 120.7° | 118.5° |
| C3 | C2 | H1 | 121.3° | 120.5° |
| C2 | C3 | H4 | 119.6° | 120.7° |
| C2 | C1 | O | 115.6° | 119.7° |
| C2 | C1 | N3 | 124.3° | 120.6° |
| C1 | C2 | H1 | 121.3° | 120.4° |
| C3 | C4 | C5 | 121.1° | 120.3° |
| C3 | C4 | C19 | 117.0° | 119.3° |
| C4 | C3 | H4 | 119.6° | 120.8° |
| C1 | O | C | 117.7° | 117.0° |
| O | C1 | N3 | 120.1° | 119.7° |
| O | C | H22 | 109.5° | 109.5° |
| O | C | H23 | 109.5° | 109.5° |
| O | C | H24 | 109.4° | 109.5° |
| C1 | N3 | C19 | 116.7° | 121.6° |
| C5 | C4 | C19 | 121.8° | 120.4° |
| C4 | C5 | N | 114.5° | 109.4° |
| C4 | C5 | H2 | 108.2° | 109.5° |
| C4 | C5 | H3 | 108.2° | 109.5° |
| C4 | C19 | N3 | 124.0° | 120.9° |
| C4 | C19 | H21 | 118.0° | 119.6° |
| C5 | N | C6 | 117.8° | 120.0° |
| N | C5 | H2 | 108.2° | 109.4° |
| N | C5 | H3 | 108.2° | 109.5° |
| C5 | N | H20 | 121.1° | 120.0° |
| O1 | C6 | N | 123.9° | 120.0° |
| O1 | C6 | N1 | 121.4° | 120.0° |
| N3 | C19 | H21 | 118.0° | 119.6° |
| N | C6 | N1 | 114.7° | 120.0° |
| C6 | N | H20 | 121.0° | 120.0° |
| C6 | N1 | C17 | 119.9° | 120.9° |
| C6 | N1 | C7 | 124.3° | 120.9° |
| C17 | N1 | C7 | 114.7° | 118.2° |
| N1 | C17 | C18 | 110.0° | 108.5° |
| N1 | C17 | H18 | 109.3° | 109.6° |
| N1 | C17 | H19 | 109.3° | 109.8° |
| N1 | C7 | C8 | 110.4° | 108.5° |
| N1 | C7 | H14 | 109.3° | 109.6° |
| N1 | C7 | H15 | 109.3° | 109.8° |
| C17 | C18 | N2 | 110.4° | 109.3° |
| C17 | C18 | H16 | 109.3° | 109.6° |
| C17 | C18 | H17 | 109.2° | 109.5° |
| C18 | C17 | H18 | 109.4° | 109.6° |
| C18 | C17 | H19 | 109.3° | 109.7° |
| C7 | C8 | N2 | 111.1° | 109.4° |
| C7 | C8 | H12 | 109.1° | 109.5° |
| C7 | C8 | H13 | 109.1° | 109.5° |
| C8 | C7 | H14 | 109.3° | 109.6° |
| C8 | C7 | H15 | 109.2° | 109.7° |
| C18 | N2 | C8 | 113.9° | 111.2° |
| C18 | N2 | C9 | 121.3° | 111.0° |
| N2 | C18 | H16 | 109.2° | 109.5° |
| N2 | C18 | H17 | 109.3° | 109.5° |
| C8 | N2 | C9 | 119.9° | 111.0° |
| N2 | C8 | H12 | 109.1° | 109.5° |
| N2 | C8 | H13 | 109.1° | 109.5° |
| N2 | C9 | C15 | 121.0° | 119.9° |
| N2 | C9 | C10 | 120.6° | 120.0° |
| C15 | C9 | C10 | 118.4° | 120.2° |
| C9 | C15 | C16 | 120.5° | 120.1° |
| C9 | C15 | H11 | 119.8° | 119.9° |
| C9 | C10 | C11 | 120.7° | 120.1° |
| C9 | C10 | H9 | 119.6° | 119.9° |
| C15 | C16 | C12 | 120.8° | 119.9° |
| C15 | C16 | H10 | 119.6° | 120.0° |
| C16 | C15 | H11 | 119.7° | 120.0° |
| C10 | C11 | C12 | 120.9° | 119.9° |
| C10 | C11 | H8 | 119.6° | 120.1° |
| C11 | C10 | H9 | 119.6° | 120.0° |
| C16 | C12 | C11 | 118.6° | 119.8° |
| C16 | C12 | C13 | 120.4° | 120.1° |
| C12 | C16 | H10 | 119.6° | 120.1° |
| C11 | C12 | C13 | 120.8° | 120.1° |
| C12 | C11 | H8 | 119.6° | 120.0° |
| C12 | C13 | O2 | 120.2° | 120.0° |
| C12 | C13 | C14 | 119.5° | 120.1° |
| O2 | C13 | C14 | 120.3° | 120.0° |
| C13 | C14 | H5 | 109.5° | 109.5° |
| C13 | C14 | H6 | 109.4° | 109.4° |
| C13 | C14 | H7 | 109.5° | 109.4° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H5 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.4° | 109.5° |
| H14 | C7 | H15 | 109.4° | 109.6° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.7° |
| H22 | C | H23 | 109.5° | 109.5° |
| H22 | C | H24 | 109.5° | 109.5° |
| H23 | C | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | C1 | O | 177.2° | 180.0° |
| C3 | C2 | C1 | N3 | 1.3° | 0.0° |
| C2 | C3 | C4 | C5 | 174.4° | 180.0° |
| C2 | C3 | C4 | C19 | 1.4° | 0.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | O | N3 | 178.6° | 180.0° |
| C2 | C1 | O | C | 179.1° | 180.0° |
| C2 | C1 | N3 | C19 | 1.2° | 0.0° |
| C1 | C2 | C3 | H4 | 179.9° | 180.0° |
| C3 | C4 | C5 | C19 | 175.7° | 180.0° |
| C3 | C4 | C5 | N | 154.5° | 90.0° |
| C3 | C4 | C19 | N3 | 1.6° | 0.0° |
| C4 | C3 | C2 | H1 | 179.8° | 179.7° |
| C3 | C4 | C5 | H2 | 84.8° | 30.0° |
| C3 | C4 | C5 | H3 | 33.8° | 150.0° |
| C3 | C4 | C19 | H21 | 178.4° | 180.0° |
| O | C1 | N3 | C19 | 177.2° | 180.0° |
| O | C1 | C2 | H1 | 2.8° | 0.3° |
| C1 | O | C | H22 | 180.0° | 180.0° |
| C1 | O | C | H23 | 60.0° | 60.0° |
| C1 | O | C | H24 | 60.0° | 60.0° |
| C | O | C1 | N3 | 2.3° | 0.0° |
| O | C | H22 | H23 | 120.0° | 120.0° |
| O | C | H22 | H24 | 120.0° | 120.0° |
| O | C | H23 | H24 | 120.0° | 120.0° |
| C1 | N3 | C19 | C4 | 0.3° | 0.1° |
| N3 | C1 | C2 | H1 | 178.7° | 179.7° |
| C1 | N3 | C19 | H21 | 179.7° | 180.0° |
| C4 | C5 | N | H2 | 120.7° | 120.0° |
| C4 | C5 | N | H3 | 120.8° | 120.0° |
| C5 | C4 | C19 | N3 | 174.3° | 180.0° |
| C4 | C5 | N | C6 | 151.4° | 180.0° |
| C4 | C5 | H2 | H3 | 117.7° | 120.1° |
| C5 | C4 | C3 | H4 | 5.5° | 0.0° |
| C4 | C5 | N | H20 | 28.6° | 0.0° |
| C5 | C4 | C19 | H21 | 5.7° | 0.0° |
| C19 | C4 | C5 | N | 29.8° | 90.1° |
| C4 | C19 | N3 | H21 | 180.0° | 180.0° |
| C19 | C4 | C5 | H2 | 90.9° | 150.0° |
| C19 | C4 | C5 | H3 | 150.6° | 29.9° |
| C19 | C4 | C3 | H4 | 178.6° | 180.0° |
| C5 | N | C6 | O1 | 1.6° | 5.2° |
| C5 | N | C6 | H20 | 180.0° | 179.9° |
| C5 | N | C6 | N1 | 179.7° | 174.9° |
| N | C5 | H2 | H3 | 117.7° | 120.0° |
| O1 | C6 | N | N1 | 178.7° | 180.0° |
| O1 | C6 | N1 | C17 | 14.6° | 5.0° |
| O1 | C6 | N1 | C7 | 178.7° | 175.0° |
| O1 | C6 | N | H20 | 178.4° | 174.9° |
| N | C6 | N1 | C17 | 166.7° | 175.1° |
| N | C6 | N1 | C7 | 0.0° | 5.0° |
| C6 | N | C5 | H2 | 30.7° | 60.1° |
| C6 | N | C5 | H3 | 87.9° | 59.9° |
| C6 | N1 | C17 | C7 | 167.9° | 180.0° |
| C6 | N1 | C17 | C18 | 149.5° | 128.8° |
| C6 | N1 | C7 | C8 | 153.0° | 128.8° |
| C6 | N1 | C7 | H14 | 86.9° | 111.5° |
| C6 | N1 | C7 | H15 | 32.8° | 9.0° |
| C6 | N1 | C17 | H18 | 90.4° | 9.1° |
| C6 | N1 | C17 | H19 | 29.4° | 111.4° |
| N1 | C6 | N | H20 | 0.3° | 5.1° |
| N1 | C17 | C18 | H18 | 120.1° | 119.6° |
| N1 | C17 | C18 | H19 | 120.1° | 119.9° |
| C17 | N1 | C7 | C8 | 39.7° | 51.2° |
| N1 | C17 | C18 | N2 | 62.6° | 53.9° |
| C17 | N1 | C7 | H14 | 80.4° | 68.5° |
| C17 | N1 | C7 | H15 | 159.9° | 171.1° |
| N1 | C17 | C18 | H16 | 177.3° | 66.1° |
| N1 | C17 | C18 | H17 | 57.6° | 173.8° |
| N1 | C17 | H18 | H19 | 119.7° | 120.6° |
| C7 | N1 | C17 | C18 | 18.4° | 51.2° |
| N1 | C7 | C8 | H14 | 120.2° | 119.7° |
| N1 | C7 | C8 | H15 | 120.2° | 119.9° |
| N1 | C7 | C8 | N2 | 58.5° | 53.8° |
| N1 | C7 | C8 | H12 | 178.7° | 173.8° |
| N1 | C7 | C8 | H13 | 61.8° | 66.2° |
| N1 | C7 | H14 | H15 | 119.6° | 120.6° |
| C7 | N1 | C17 | H18 | 101.7° | 170.9° |
| C7 | N1 | C17 | H19 | 138.5° | 68.6° |
| C17 | C18 | N2 | H16 | 120.1° | 120.0° |
| C17 | C18 | N2 | H17 | 120.1° | 119.9° |
| C17 | C18 | N2 | C8 | 43.8° | 63.1° |
| C17 | C18 | N2 | C9 | 161.1° | 172.7° |
| C17 | C18 | H16 | H17 | 119.6° | 120.1° |
| C18 | C17 | H18 | H19 | 119.7° | 120.5° |
| C7 | C8 | N2 | C18 | 15.2° | 63.1° |
| C7 | C8 | N2 | H12 | 120.3° | 120.0° |
| C7 | C8 | N2 | H13 | 120.3° | 120.0° |
| C7 | C8 | N2 | C9 | 140.4° | 172.8° |
| C7 | C8 | H12 | H13 | 119.3° | 120.1° |
| C8 | C7 | H14 | H15 | 119.5° | 120.4° |
| C18 | N2 | C8 | C9 | 155.5° | 124.1° |
| C18 | N2 | C9 | C15 | 1.8° | 55.8° |
| C18 | N2 | C9 | C10 | 178.2° | 124.0° |
| C18 | N2 | C8 | H12 | 135.4° | 176.9° |
| C18 | N2 | C8 | H13 | 105.1° | 56.9° |
| N2 | C18 | H16 | H17 | 119.6° | 120.0° |
| N2 | C18 | C17 | H18 | 57.5° | 173.5° |
| N2 | C18 | C17 | H19 | 177.3° | 66.0° |
| C8 | N2 | C9 | C15 | 151.9° | 180.0° |
| C8 | N2 | C9 | C10 | 28.1° | 0.2° |
| N2 | C8 | H12 | H13 | 119.3° | 120.0° |
| N2 | C8 | C7 | H14 | 61.7° | 65.9° |
| N2 | C8 | C7 | H15 | 178.7° | 173.8° |
| C8 | N2 | C18 | H16 | 163.9° | 56.9° |
| C8 | N2 | C18 | H17 | 76.4° | 176.9° |
| N2 | C9 | C15 | C10 | 179.9° | 179.8° |
| N2 | C9 | C15 | C16 | 179.5° | 179.9° |
| N2 | C9 | C10 | C11 | 178.0° | 180.0° |
| N2 | C9 | C10 | H9 | 2.0° | 0.0° |
| N2 | C9 | C15 | H11 | 0.5° | 0.0° |
| C9 | N2 | C8 | H12 | 20.1° | 52.8° |
| C9 | N2 | C8 | H13 | 99.4° | 67.2° |
| C9 | N2 | C18 | H16 | 40.9° | 67.2° |
| C9 | N2 | C18 | H17 | 78.8° | 52.8° |
| C9 | C15 | C16 | H11 | 180.0° | 180.0° |
| C15 | C9 | C10 | C11 | 2.0° | 0.3° |
| C9 | C15 | C16 | C12 | 1.4° | 0.0° |
| C15 | C9 | C10 | H9 | 178.0° | 179.8° |
| C9 | C15 | C16 | H10 | 178.6° | 180.0° |
| C10 | C9 | C15 | C16 | 0.5° | 0.3° |
| C9 | C10 | C11 | H9 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 1.6° | 0.0° |
| C9 | C10 | C11 | H8 | 178.4° | 179.9° |
| C10 | C9 | C15 | H11 | 179.5° | 179.8° |
| C15 | C16 | C12 | H10 | 180.0° | 179.9° |
| C15 | C16 | C12 | C11 | 1.8° | 0.2° |
| C15 | C16 | C12 | C13 | 173.3° | 180.0° |
| C10 | C11 | C12 | C16 | 0.3° | 0.2° |
| C10 | C11 | C12 | H8 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 174.8° | 180.0° |
| C16 | C12 | C11 | C13 | 175.0° | 179.8° |
| C16 | C12 | C13 | O2 | 15.0° | 179.7° |
| C16 | C12 | C13 | C14 | 168.1° | 0.2° |
| C16 | C12 | C11 | H8 | 179.7° | 179.8° |
| C12 | C16 | C15 | H11 | 178.6° | 180.0° |
| C11 | C12 | C13 | O2 | 170.0° | 0.0° |
| C11 | C12 | C13 | C14 | 6.8° | 180.0° |
| C12 | C11 | C10 | H9 | 178.4° | 179.9° |
| C11 | C12 | C16 | H10 | 178.2° | 179.7° |
| C12 | C13 | O2 | C14 | 176.8° | 180.0° |
| C12 | C13 | C14 | H5 | 176.8° | 180.0° |
| C12 | C13 | C14 | H6 | 63.2° | 60.0° |
| C12 | C13 | C14 | H7 | 56.8° | 59.9° |
| C13 | C12 | C11 | H8 | 5.3° | 0.1° |
| C13 | C12 | C16 | H10 | 6.7° | 0.1° |
| O2 | C13 | C14 | H5 | 0.0° | 0.0° |
| O2 | C13 | C14 | H6 | 120.0° | 120.1° |
| O2 | C13 | C14 | H7 | 120.0° | 120.0° |
| C13 | C14 | H5 | H6 | 120.0° | 120.0° |
| C13 | C14 | H5 | H7 | 120.0° | 120.0° |
| C13 | C14 | H6 | H7 | 120.0° | 119.9° |
| H1 | C2 | C3 | H4 | 0.1° | 0.3° |
| H2 | C5 | N | H20 | 149.3° | 120.0° |
| H3 | C5 | N | H20 | 92.2° | 120.0° |
| H5 | C14 | H6 | H7 | 120.0° | 120.1° |
| H8 | C11 | C10 | H9 | 1.6° | 0.0° |
| H10 | C16 | C15 | H11 | 1.4° | 0.1° |
| H12 | C8 | C7 | H14 | 58.6° | 54.1° |
| H12 | C8 | C7 | H15 | 61.1° | 66.2° |
| H13 | C8 | C7 | H14 | 178.1° | 174.1° |
| H13 | C8 | C7 | H15 | 58.4° | 53.8° |
| H16 | C18 | C17 | H18 | 62.6° | 53.5° |
| H16 | C18 | C17 | H19 | 57.2° | 174.0° |
| H17 | C18 | C17 | H18 | 177.6° | 66.6° |
| H17 | C18 | C17 | H19 | 62.5° | 53.9° |
| H22 | C | H23 | H24 | 120.0° | 120.0° |
