M7D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C9 | doub | 1.21Å | 1.21Å | |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C6 | sing | 1.48Å | 1.48Å | |
| C9 | N11 | sing | 1.35Å | 1.37Å | |
| C6 | N7 | doub | 1.33Å | 1.33Å | Aromatic |
| C3 | C2 | sing | 1.43Å | 1.44Å | |
| C3 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | N1 | trip | 1.14Å | 1.14Å | |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| N7 | C8 | sing | 1.31Å | 1.32Å | Aromatic |
| N11 | C12 | sing | 1.40Å | 1.40Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | F16 | sing | 1.35Å | 1.34Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.51Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N21 | sing | 1.46Å | 1.46Å | |
| C19 | C29 | sing | 1.53Å | 1.54Å | |
| N21 | C22 | doub | 1.31Å | 1.33Å | |
| C29 | N28 | sing | 1.47Å | 1.47Å | |
| N28 | C27 | sing | 1.35Å | 1.35Å | Aromatic |
| N28 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | C24 | sing | 1.47Å | 1.47Å | |
| C22 | N23 | sing | 1.38Å | 1.37Å | |
| C27 | C26 | doub | 1.36Å | 1.36Å | Aromatic |
| C24 | C25 | doub | 1.35Å | 1.35Å | Aromatic |
| C26 | C25 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C27 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| N11 | H15 | sing | 0.97Å | 1.00Å | |
| N23 | H16 | sing | 0.97Å | 1.00Å | |
| N23 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C9 | C6 | 118.2° | 120.0° |
| O10 | C9 | N11 | 123.2° | 120.0° |
| C4 | C5 | C6 | 119.8° | 119.2° |
| C5 | C4 | C3 | 119.1° | 118.4° |
| C5 | C4 | H1 | 120.5° | 120.8° |
| C4 | C5 | H2 | 120.1° | 120.4° |
| C5 | C6 | C9 | 120.6° | 119.5° |
| C5 | C6 | N7 | 119.5° | 120.9° |
| C6 | C5 | H2 | 120.1° | 120.4° |
| C4 | C3 | C2 | 120.5° | 120.5° |
| C4 | C3 | C8 | 118.0° | 119.0° |
| C3 | C4 | H1 | 120.5° | 120.8° |
| C6 | C9 | N11 | 118.6° | 120.0° |
| C9 | C6 | N7 | 119.9° | 119.5° |
| C9 | N11 | C12 | 126.5° | 120.0° |
| C9 | N11 | H15 | 116.8° | 120.0° |
| C6 | N7 | C8 | 122.1° | 121.8° |
| C2 | C3 | C8 | 121.5° | 120.4° |
| C3 | C2 | N1 | 179.0° | 179.9° |
| C3 | C8 | N7 | 121.5° | 120.7° |
| C3 | C8 | H3 | 119.2° | 119.6° |
| C17 | C18 | C12 | 119.8° | 120.0° |
| C18 | C17 | C15 | 120.5° | 120.0° |
| C18 | C17 | H4 | 119.7° | 120.0° |
| C17 | C18 | H5 | 120.1° | 120.1° |
| C18 | C12 | N11 | 126.4° | 120.1° |
| C18 | C12 | C13 | 118.7° | 119.9° |
| C12 | C18 | H5 | 120.1° | 120.0° |
| C17 | C15 | F16 | 116.1° | 119.9° |
| C17 | C15 | C14 | 121.7° | 120.1° |
| C15 | C17 | H4 | 119.8° | 120.0° |
| N7 | C8 | H3 | 119.3° | 119.7° |
| N11 | C12 | C13 | 114.8° | 120.0° |
| C12 | N11 | H15 | 116.8° | 120.0° |
| C12 | C13 | C14 | 122.5° | 119.9° |
| C12 | C13 | H7 | 118.7° | 120.1° |
| F16 | C15 | C14 | 122.2° | 120.0° |
| C15 | C14 | C13 | 116.8° | 120.1° |
| C15 | C14 | C19 | 122.5° | 120.0° |
| C13 | C14 | C19 | 120.6° | 120.0° |
| C14 | C13 | H7 | 118.8° | 120.0° |
| C14 | C19 | C20 | 110.3° | 108.6° |
| C14 | C19 | N21 | 109.7° | 108.7° |
| C14 | C19 | C29 | 110.3° | 108.8° |
| C20 | C19 | N21 | 106.9° | 108.8° |
| C20 | C19 | C29 | 109.2° | 108.8° |
| C19 | C20 | H8 | 109.5° | 109.4° |
| C19 | C20 | H9 | 109.5° | 109.5° |
| C19 | C20 | H10 | 109.5° | 109.5° |
| N21 | C19 | C29 | 110.4° | 113.1° |
| C19 | N21 | C22 | 126.2° | 122.9° |
| C19 | C29 | N28 | 111.3° | 108.9° |
| C19 | C29 | H13 | 109.0° | 109.6° |
| C19 | C29 | H14 | 109.0° | 109.6° |
| N21 | C22 | C24 | 116.9° | 116.7° |
| N21 | C22 | N23 | 121.4° | 121.6° |
| C29 | N28 | C27 | 129.8° | 130.7° |
| C29 | N28 | C24 | 122.1° | 120.8° |
| N28 | C29 | H13 | 109.0° | 109.6° |
| N28 | C29 | H14 | 109.0° | 109.5° |
| C27 | N28 | C24 | 108.1° | 108.4° |
| N28 | C27 | C26 | 108.7° | 108.5° |
| N28 | C27 | H6 | 125.7° | 125.7° |
| N28 | C24 | C22 | 119.0° | 120.5° |
| N28 | C24 | C25 | 108.6° | 108.2° |
| C24 | C22 | N23 | 121.7° | 121.7° |
| C22 | C24 | C25 | 132.4° | 131.4° |
| C22 | N23 | H16 | 120.0° | 119.9° |
| C22 | N23 | H17 | 120.0° | 120.0° |
| C27 | C26 | C25 | 107.7° | 107.9° |
| C26 | C27 | H6 | 125.6° | 125.8° |
| C27 | C26 | H12 | 126.2° | 126.1° |
| C24 | C25 | C26 | 106.9° | 107.0° |
| C24 | C25 | H11 | 126.6° | 126.5° |
| C26 | C25 | H11 | 126.5° | 126.5° |
| C25 | C26 | H12 | 126.1° | 126.0° |
| H8 | C20 | H9 | 109.5° | 109.4° |
| H8 | C20 | H10 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.4° | 109.5° |
| H13 | C29 | H14 | 109.5° | 109.7° |
| H16 | N23 | H17 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C9 | C6 | C5 | 13.7° | 0.1° |
| O10 | C9 | C6 | N11 | 180.0° | 179.9° |
| O10 | C9 | C6 | N7 | 167.7° | 179.9° |
| O10 | C9 | N11 | C12 | 3.5° | 5.2° |
| O10 | C9 | N11 | H15 | 176.5° | 174.8° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C9 | 179.9° | 180.0° |
| C4 | C5 | C6 | N7 | 1.3° | 0.0° |
| C5 | C4 | C3 | C2 | 179.7° | 180.0° |
| C5 | C4 | C3 | C8 | 0.8° | 0.3° |
| C6 | C5 | C4 | C3 | 1.5° | 0.0° |
| C5 | C6 | C9 | N7 | 178.6° | 180.0° |
| C5 | C6 | C9 | N11 | 166.3° | 180.0° |
| C5 | C6 | N7 | C8 | 0.4° | 0.3° |
| C6 | C5 | C4 | H1 | 178.5° | 180.0° |
| C4 | C3 | C2 | C8 | 179.5° | 179.7° |
| C4 | C3 | C2 | N1 | 167.6° | 79.3° |
| C4 | C3 | C8 | N7 | 0.1° | 0.5° |
| C3 | C4 | C5 | H2 | 178.5° | 180.0° |
| C4 | C3 | C8 | H3 | 179.9° | 179.7° |
| C9 | C6 | N7 | C8 | 179.0° | 179.7° |
| C6 | C9 | N11 | C12 | 176.5° | 174.7° |
| C9 | C6 | C5 | H2 | 0.1° | 0.0° |
| C6 | C9 | N11 | H15 | 3.5° | 5.3° |
| N11 | C9 | C6 | N7 | 12.3° | 0.0° |
| C9 | N11 | C12 | C18 | 14.1° | 33.5° |
| C9 | N11 | C12 | H15 | 180.0° | 180.0° |
| C9 | N11 | C12 | C13 | 162.3° | 146.8° |
| C6 | N7 | C8 | C3 | 0.3° | 0.5° |
| N7 | C6 | C5 | H2 | 178.6° | 180.0° |
| C6 | N7 | C8 | H3 | 179.7° | 179.7° |
| C2 | C3 | C8 | N7 | 179.4° | 179.8° |
| C2 | C3 | C4 | H1 | 0.3° | 0.1° |
| C2 | C3 | C8 | H3 | 0.6° | 0.0° |
| C8 | C3 | C2 | N1 | 11.9° | 101.0° |
| C3 | C8 | N7 | H3 | 180.0° | 179.8° |
| C8 | C3 | C4 | H1 | 179.2° | 179.8° |
| C17 | C18 | C12 | H5 | 180.0° | 180.0° |
| C18 | C17 | C15 | H4 | 180.0° | 180.0° |
| C17 | C18 | C12 | N11 | 177.2° | 179.7° |
| C17 | C18 | C12 | C13 | 0.9° | 0.0° |
| C18 | C17 | C15 | F16 | 179.6° | 180.0° |
| C18 | C17 | C15 | C14 | 0.7° | 0.0° |
| C12 | C18 | C17 | C15 | 0.2° | 0.0° |
| C18 | C12 | N11 | C13 | 176.4° | 179.7° |
| C18 | C12 | C13 | C14 | 1.5° | 0.0° |
| C12 | C18 | C17 | H4 | 179.8° | 180.0° |
| C18 | C12 | C13 | H7 | 178.5° | 180.0° |
| C18 | C12 | N11 | H15 | 165.9° | 146.4° |
| C17 | C15 | F16 | C14 | 179.7° | 180.0° |
| C17 | C15 | C14 | C13 | 0.1° | 0.0° |
| C17 | C15 | C14 | C19 | 179.5° | 180.0° |
| C15 | C17 | C18 | H5 | 179.8° | 180.0° |
| N11 | C12 | C13 | C14 | 178.2° | 179.7° |
| N11 | C12 | C18 | H5 | 2.8° | 0.3° |
| N11 | C12 | C13 | H7 | 1.8° | 0.3° |
| C12 | C13 | C14 | C15 | 1.0° | 0.0° |
| C12 | C13 | C14 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | C19 | 179.4° | 180.0° |
| C13 | C12 | C18 | H5 | 179.1° | 180.0° |
| C13 | C12 | N11 | H15 | 17.7° | 33.3° |
| F16 | C15 | C14 | C13 | 179.8° | 179.9° |
| F16 | C15 | C14 | C19 | 0.2° | 0.0° |
| F16 | C15 | C17 | H4 | 0.4° | 0.1° |
| C15 | C14 | C13 | C19 | 179.6° | 180.0° |
| C15 | C14 | C19 | C20 | 56.7° | 61.8° |
| C15 | C14 | C19 | N21 | 174.1° | 180.0° |
| C15 | C14 | C19 | C29 | 64.1° | 56.5° |
| C14 | C15 | C17 | H4 | 179.3° | 180.0° |
| C15 | C14 | C13 | H7 | 179.0° | 180.0° |
| C13 | C14 | C19 | C20 | 123.8° | 118.2° |
| C13 | C14 | C19 | N21 | 6.3° | 0.0° |
| C13 | C14 | C19 | C29 | 115.5° | 123.5° |
| C14 | C19 | C20 | N21 | 119.2° | 118.2° |
| C14 | C19 | C20 | C29 | 121.4° | 118.2° |
| C14 | C19 | N21 | C29 | 121.7° | 120.9° |
| C14 | C19 | N21 | C22 | 91.4° | 156.3° |
| C14 | C19 | C29 | N28 | 79.7° | 167.2° |
| C19 | C14 | C13 | H7 | 0.6° | 0.1° |
| C14 | C19 | C20 | H8 | 180.0° | 178.2° |
| C14 | C19 | C20 | H9 | 60.0° | 61.8° |
| C14 | C19 | C20 | H10 | 60.0° | 58.2° |
| C14 | C19 | C29 | H13 | 40.6° | 47.3° |
| C14 | C19 | C29 | H14 | 160.0° | 73.1° |
| C20 | C19 | N21 | C29 | 118.7° | 121.0° |
| C20 | C19 | N21 | C22 | 149.0° | 85.7° |
| C20 | C19 | C29 | N28 | 158.9° | 74.7° |
| C19 | C20 | H8 | H9 | 120.0° | 120.0° |
| C19 | C20 | H8 | H10 | 120.0° | 120.0° |
| C19 | C20 | H9 | H10 | 120.0° | 120.0° |
| C20 | C19 | C29 | H13 | 80.8° | 165.4° |
| C20 | C19 | C29 | H14 | 38.7° | 45.1° |
| N21 | C19 | C29 | N28 | 41.6° | 46.3° |
| C19 | N21 | C22 | C24 | 1.6° | 3.1° |
| C19 | N21 | C22 | N23 | 177.1° | 176.9° |
| N21 | C19 | C20 | H8 | 60.8° | 60.1° |
| N21 | C19 | C20 | H9 | 179.2° | 180.0° |
| N21 | C19 | C20 | H10 | 59.2° | 59.9° |
| N21 | C19 | C29 | H13 | 161.9° | 73.6° |
| N21 | C19 | C29 | H14 | 78.6° | 166.0° |
| C29 | C19 | N21 | C22 | 30.3° | 35.3° |
| C19 | C29 | N28 | H13 | 120.3° | 119.9° |
| C19 | C29 | N28 | H14 | 120.3° | 119.8° |
| C19 | C29 | N28 | C27 | 151.8° | 149.7° |
| C19 | C29 | N28 | C24 | 30.2° | 30.3° |
| C29 | C19 | C20 | H8 | 58.6° | 63.5° |
| C29 | C19 | C20 | H9 | 61.4° | 56.4° |
| C29 | C19 | C20 | H10 | 178.6° | 176.5° |
| C19 | C29 | H13 | H14 | 119.2° | 120.3° |
| N21 | C22 | C24 | N28 | 14.6° | 16.1° |
| N21 | C22 | C24 | N23 | 178.7° | 180.0° |
| N21 | C22 | C24 | C25 | 164.9° | 163.9° |
| N21 | C22 | N23 | H16 | 0.0° | 180.0° |
| N21 | C22 | N23 | H17 | 180.0° | 0.0° |
| C29 | N28 | C27 | C24 | 178.2° | 180.0° |
| C29 | N28 | C24 | C22 | 1.5° | 0.2° |
| C29 | N28 | C27 | C26 | 178.8° | 179.8° |
| C29 | N28 | C24 | C25 | 178.9° | 179.8° |
| C29 | N28 | C27 | H6 | 1.1° | 0.1° |
| N28 | C29 | H13 | H14 | 119.2° | 120.3° |
| C27 | N28 | C24 | C22 | 179.9° | 179.9° |
| N28 | C27 | C26 | H6 | 180.0° | 179.9° |
| C27 | N28 | C24 | C25 | 0.5° | 0.1° |
| N28 | C27 | C26 | C25 | 0.5° | 0.1° |
| N28 | C27 | C26 | H12 | 179.5° | 180.0° |
| C27 | N28 | C29 | H13 | 31.5° | 90.5° |
| C27 | N28 | C29 | H14 | 87.9° | 29.9° |
| N28 | C24 | C22 | C25 | 179.4° | 180.0° |
| N28 | C24 | C22 | N23 | 166.7° | 163.9° |
| C24 | N28 | C27 | C26 | 0.6° | 0.1° |
| N28 | C24 | C25 | C26 | 0.2° | 0.1° |
| C24 | N28 | C27 | H6 | 179.3° | 179.9° |
| N28 | C24 | C25 | H11 | 179.8° | 179.9° |
| C24 | N28 | C29 | H13 | 150.5° | 89.6° |
| C24 | N28 | C29 | H14 | 90.1° | 150.1° |
| C22 | C24 | C25 | C26 | 179.7° | 179.9° |
| C22 | C24 | C25 | H11 | 0.3° | 0.1° |
| C24 | C22 | N23 | H16 | 178.6° | 0.0° |
| C24 | C22 | N23 | H17 | 1.4° | 179.9° |
| N23 | C22 | C24 | C25 | 13.8° | 16.1° |
| C22 | N23 | H16 | H17 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 0.2° | 0.0° |
| C27 | C26 | C25 | H12 | 180.0° | 179.9° |
| C27 | C26 | C25 | H11 | 179.8° | 180.0° |
| C24 | C25 | C26 | H11 | 180.0° | 180.0° |
| C24 | C25 | C26 | H12 | 179.8° | 179.9° |
| C25 | C26 | C27 | H6 | 179.5° | 180.0° |
| H1 | C4 | C5 | H2 | 1.5° | 0.0° |
| H4 | C17 | C18 | H5 | 0.2° | 0.1° |
| H6 | C27 | C26 | H12 | 0.5° | 0.1° |
| H8 | C20 | H9 | H10 | 120.0° | 120.0° |
| H11 | C25 | C26 | H12 | 0.2° | 0.1° |
