F67
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C16 | doub | 1.22Å | 1.49Å | |
| C16 | C11 | sing | 1.47Å | 1.49Å | |
| C16 | N15 | sing | 1.34Å | 1.35Å | |
| C12 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.47Å | Aromatic |
| N15 | C14 | sing | 1.47Å | 1.50Å | |
| C13 | C8 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | N2 | doub | 1.32Å | 1.36Å | Aromatic |
| C1 | N6 | sing | 1.32Å | 1.35Å | Aromatic |
| N2 | C3 | sing | 1.33Å | 1.38Å | Aromatic |
| C10 | C14 | sing | 1.51Å | 1.46Å | |
| C10 | C9 | doub | 1.37Å | 1.40Å | Aromatic |
| C14 | C18 | sing | 1.53Å | 1.53Å | |
| N6 | C5 | doub | 1.32Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | N7 | sing | 1.39Å | 1.39Å | |
| C3 | N7 | sing | 1.39Å | 1.40Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| N15 | H1 | sing | 0.97Å | 1.00Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | H9 | sing | 0.97Å | 1.00Å | |
| C4 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C16 | C11 | 123.9° | 124.8° |
| O1 | C16 | N15 | 122.5° | 124.8° |
| C11 | C16 | N15 | 113.7° | 110.4° |
| C16 | C11 | C12 | 136.4° | 132.3° |
| C16 | C11 | C10 | 102.5° | 108.2° |
| C16 | N15 | C14 | 107.8° | 108.8° |
| C16 | N15 | H1 | 126.1° | 125.7° |
| C11 | C12 | C13 | 116.7° | 119.9° |
| C12 | C11 | C10 | 121.1° | 119.5° |
| C11 | C12 | H7 | 121.7° | 120.0° |
| C12 | C13 | C8 | 124.4° | 120.2° |
| C13 | C12 | H7 | 121.6° | 120.1° |
| C12 | C13 | H8 | 117.8° | 119.8° |
| C11 | C10 | C14 | 110.3° | 106.4° |
| C11 | C10 | C9 | 120.4° | 120.4° |
| N15 | C14 | C10 | 105.8° | 106.2° |
| N15 | C14 | C18 | 111.9° | 110.2° |
| C14 | N15 | H1 | 126.1° | 125.6° |
| N15 | C14 | H2 | 109.0° | 110.1° |
| C13 | C8 | C9 | 118.9° | 120.0° |
| C13 | C8 | N7 | 121.4° | 119.9° |
| C8 | C13 | H8 | 117.8° | 119.9° |
| N2 | C1 | N6 | 120.4° | 121.8° |
| C1 | N2 | C3 | 123.3° | 120.7° |
| N2 | C1 | H12 | 119.8° | 119.1° |
| C1 | N6 | C5 | 120.2° | 121.0° |
| N6 | C1 | H12 | 119.8° | 119.1° |
| N2 | C3 | N7 | 124.3° | 120.5° |
| N2 | C3 | C4 | 115.9° | 118.9° |
| C14 | C10 | C9 | 129.2° | 133.2° |
| C10 | C14 | C18 | 112.1° | 110.1° |
| C10 | C14 | H2 | 109.5° | 110.1° |
| C10 | C9 | C8 | 118.4° | 119.9° |
| C10 | C9 | H6 | 120.8° | 120.0° |
| C18 | C14 | H2 | 108.5° | 110.1° |
| C14 | C18 | H3 | 109.5° | 109.4° |
| C14 | C18 | H4 | 109.5° | 109.5° |
| C14 | C18 | H5 | 109.5° | 109.5° |
| N6 | C5 | C4 | 120.2° | 119.2° |
| N6 | C5 | H11 | 119.9° | 120.4° |
| C9 | C8 | N7 | 119.7° | 120.0° |
| C8 | C9 | H6 | 120.8° | 120.1° |
| C8 | N7 | C3 | 130.2° | 120.0° |
| C8 | N7 | H9 | 114.9° | 120.0° |
| N7 | C3 | C4 | 119.9° | 120.6° |
| C3 | N7 | H9 | 114.9° | 120.0° |
| C3 | C4 | C5 | 120.0° | 118.3° |
| C3 | C4 | H10 | 120.0° | 120.8° |
| C5 | C4 | H10 | 120.0° | 120.8° |
| C4 | C5 | H11 | 119.9° | 120.4° |
| H3 | C18 | H4 | 109.4° | 109.5° |
| H3 | C18 | H5 | 109.5° | 109.5° |
| H4 | C18 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C16 | C11 | N15 | 179.7° | 179.8° |
| O1 | C16 | C11 | C12 | 0.3° | 0.0° |
| O1 | C16 | C11 | C10 | 179.4° | 179.8° |
| O1 | C16 | N15 | C14 | 179.9° | 179.9° |
| O1 | C16 | N15 | H1 | 0.2° | 0.1° |
| C16 | C11 | C12 | C10 | 178.9° | 179.8° |
| C16 | C11 | C12 | C13 | 179.0° | 180.0° |
| C11 | C16 | N15 | C14 | 0.2° | 0.2° |
| C16 | C11 | C10 | C14 | 0.7° | 0.4° |
| C16 | C11 | C10 | C9 | 179.9° | 179.8° |
| C11 | C16 | N15 | H1 | 179.8° | 179.7° |
| C16 | C11 | C12 | H7 | 1.0° | 0.0° |
| N15 | C16 | C11 | C12 | 179.3° | 179.8° |
| N15 | C16 | C11 | C10 | 0.3° | 0.4° |
| C16 | N15 | C14 | H1 | 180.0° | 180.0° |
| C16 | N15 | C14 | C10 | 0.6° | 0.0° |
| C16 | N15 | C14 | C18 | 123.0° | 119.2° |
| C16 | N15 | C14 | H2 | 117.0° | 119.2° |
| C11 | C12 | C13 | H7 | 180.0° | 180.0° |
| C11 | C12 | C13 | C8 | 0.5° | 0.8° |
| C12 | C11 | C10 | C14 | 179.9° | 179.8° |
| C12 | C11 | C10 | C9 | 0.7° | 0.0° |
| C11 | C12 | C13 | H8 | 179.5° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.2° |
| C12 | C13 | C8 | H8 | 180.0° | 179.2° |
| C12 | C13 | C8 | C9 | 0.6° | 1.2° |
| C12 | C13 | C8 | N7 | 178.5° | 179.9° |
| C11 | C10 | C14 | N15 | 0.8° | 0.2° |
| C11 | C10 | C14 | C9 | 179.3° | 179.8° |
| C11 | C10 | C14 | C18 | 123.0° | 119.5° |
| C11 | C10 | C9 | C8 | 0.6° | 0.3° |
| C11 | C10 | C14 | H2 | 116.5° | 119.0° |
| C11 | C10 | C9 | H6 | 179.4° | 179.8° |
| C10 | C11 | C12 | H7 | 179.9° | 179.8° |
| N15 | C14 | C10 | C18 | 122.2° | 119.2° |
| N15 | C14 | C10 | H2 | 117.3° | 119.2° |
| N15 | C14 | C10 | C9 | 179.8° | 180.0° |
| N15 | C14 | C18 | H2 | 120.3° | 121.6° |
| N15 | C14 | C18 | H3 | 180.0° | 61.4° |
| N15 | C14 | C18 | H4 | 60.0° | 178.5° |
| N15 | C14 | C18 | H5 | 60.0° | 58.5° |
| C13 | C8 | C9 | C10 | 0.0° | 0.9° |
| C13 | C8 | C9 | N7 | 179.1° | 178.9° |
| C13 | C8 | N7 | C3 | 6.6° | 146.0° |
| C13 | C8 | C9 | H6 | 180.0° | 179.1° |
| C8 | C13 | C12 | H7 | 179.4° | 179.2° |
| C13 | C8 | N7 | H9 | 173.5° | 34.1° |
| N2 | C1 | N6 | H12 | 180.0° | 180.0° |
| N2 | C1 | N6 | C5 | 1.7° | 0.3° |
| C1 | N2 | C3 | N7 | 179.1° | 180.0° |
| C1 | N2 | C3 | C4 | 0.3° | 0.3° |
| N6 | C1 | N2 | C3 | 0.8° | 0.0° |
| C1 | N6 | C5 | C4 | 1.3° | 0.3° |
| C1 | N6 | C5 | H11 | 178.7° | 179.7° |
| N2 | C3 | N7 | C8 | 8.8° | 5.8° |
| N2 | C3 | N7 | C4 | 179.4° | 179.7° |
| N2 | C3 | C4 | C5 | 0.7° | 0.3° |
| N2 | C3 | N7 | H9 | 171.2° | 174.3° |
| N2 | C3 | C4 | H10 | 179.3° | 179.7° |
| C3 | N2 | C1 | H12 | 179.2° | 180.0° |
| C10 | C14 | C18 | H2 | 121.0° | 121.5° |
| C14 | C10 | C9 | C8 | 179.9° | 179.9° |
| C10 | C14 | N15 | H1 | 179.4° | 180.0° |
| C10 | C14 | C18 | H3 | 61.3° | 178.3° |
| C10 | C14 | C18 | H4 | 58.7° | 61.7° |
| C10 | C14 | C18 | H5 | 178.7° | 58.3° |
| C14 | C10 | C9 | H6 | 0.1° | 0.0° |
| C9 | C10 | C14 | C18 | 57.6° | 60.7° |
| C10 | C9 | C8 | H6 | 180.0° | 179.9° |
| C10 | C9 | C8 | N7 | 179.1° | 179.8° |
| C9 | C10 | C14 | H2 | 62.9° | 60.8° |
| C18 | C14 | N15 | H1 | 57.0° | 60.8° |
| C14 | C18 | H3 | H4 | 120.0° | 120.0° |
| C14 | C18 | H3 | H5 | 120.0° | 120.0° |
| C14 | C18 | H4 | H5 | 120.0° | 120.0° |
| N6 | C5 | C4 | C3 | 0.1° | 0.0° |
| N6 | C5 | C4 | H11 | 180.0° | 180.0° |
| N6 | C5 | C4 | H10 | 179.9° | 180.0° |
| C5 | N6 | C1 | H12 | 178.3° | 179.7° |
| C9 | C8 | N7 | C3 | 174.4° | 35.1° |
| C9 | C8 | C13 | H8 | 179.4° | 179.6° |
| C9 | C8 | N7 | H9 | 5.6° | 144.8° |
| C8 | N7 | C3 | H9 | 180.0° | 179.9° |
| C8 | N7 | C3 | C4 | 171.8° | 173.9° |
| N7 | C8 | C9 | H6 | 0.9° | 0.3° |
| N7 | C8 | C13 | H8 | 1.5° | 0.7° |
| N7 | C3 | C4 | C5 | 178.8° | 180.0° |
| N7 | C3 | C4 | H10 | 1.2° | 0.1° |
| C3 | C4 | C5 | H10 | 180.0° | 180.0° |
| C4 | C3 | N7 | H9 | 8.2° | 6.0° |
| C3 | C4 | C5 | H11 | 179.9° | 180.0° |
| H1 | N15 | C14 | H2 | 63.0° | 60.8° |
| H2 | C14 | C18 | H3 | 59.7° | 60.2° |
| H2 | C14 | C18 | H4 | 179.7° | 59.8° |
| H2 | C14 | C18 | H5 | 60.3° | 179.8° |
| H3 | C18 | H4 | H5 | 120.0° | 120.0° |
| H7 | C12 | C13 | H8 | 0.6° | 0.0° |
| H10 | C4 | C5 | H11 | 0.1° | 0.0° |
