7F9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C2 | sing | 1.36Å | 1.36Å | |
| C14 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| O2 | C11 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | O3 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | doub | 1.40Å | 1.48Å | Aromatic |
| C13 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | N1 | sing | 1.40Å | 1.41Å | |
| C7 | N1 | sing | 1.35Å | 1.39Å | |
| C7 | O1 | doub | 1.22Å | 1.22Å | |
| N1 | C17 | sing | 1.46Å | 1.47Å | |
| O5 | C15 | doub | 1.21Å | 1.22Å | |
| C18 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | C17 | sing | 1.51Å | 1.51Å | |
| C15 | N2 | sing | 1.35Å | 1.33Å | |
| C16 | N2 | sing | 1.47Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| O4 | H5 | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C2 | C3 | 119.6° | 119.9° |
| O4 | C2 | C1 | 119.5° | 119.8° |
| C2 | O4 | H5 | 109.5° | 114.0° |
| C14 | O2 | C11 | 120.0° | 117.0° |
| O2 | C14 | H11 | 109.5° | 109.4° |
| O2 | C14 | H12 | 109.4° | 109.5° |
| O2 | C14 | H13 | 109.5° | 109.5° |
| C3 | C2 | C1 | 120.9° | 120.3° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H3 | 120.0° | 119.9° |
| C2 | C1 | C6 | 121.3° | 120.2° |
| C2 | C1 | H1 | 119.4° | 119.9° |
| O2 | C11 | C12 | 120.1° | 120.1° |
| O2 | C11 | C10 | 120.0° | 119.9° |
| C3 | C4 | O3 | 120.5° | 120.1° |
| C3 | C4 | C5 | 119.0° | 119.7° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.1° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C11 | C12 | H9 | 120.0° | 120.0° |
| C12 | C13 | C8 | 120.0° | 120.0° |
| C13 | C12 | H9 | 120.0° | 120.0° |
| C12 | C13 | H10 | 120.0° | 120.0° |
| C1 | C6 | C5 | 119.9° | 120.0° |
| C6 | C1 | H1 | 119.4° | 119.9° |
| C1 | C6 | H6 | 120.1° | 120.0° |
| C11 | C10 | C9 | 120.0° | 120.0° |
| C11 | C10 | H8 | 120.0° | 120.0° |
| O3 | C4 | C5 | 120.5° | 120.2° |
| C4 | O3 | H4 | 109.5° | 114.1° |
| C4 | C5 | C6 | 119.0° | 119.7° |
| C4 | C5 | C7 | 120.5° | 120.1° |
| C13 | C8 | C9 | 120.0° | 120.0° |
| C13 | C8 | N1 | 120.0° | 120.0° |
| C8 | C13 | H10 | 120.0° | 120.0° |
| C6 | C5 | C7 | 120.5° | 120.2° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| C10 | C9 | C8 | 120.0° | 120.0° |
| C10 | C9 | H7 | 120.0° | 120.0° |
| C9 | C10 | H8 | 120.0° | 120.0° |
| C5 | C7 | N1 | 118.7° | 120.0° |
| C5 | C7 | O1 | 120.9° | 120.1° |
| C9 | C8 | N1 | 120.0° | 120.0° |
| C8 | C9 | H7 | 120.0° | 120.1° |
| C8 | N1 | C7 | 122.0° | 120.0° |
| C8 | N1 | C17 | 114.6° | 120.0° |
| N1 | C7 | O1 | 120.4° | 119.9° |
| C7 | N1 | C17 | 117.8° | 120.0° |
| N1 | C17 | C15 | 107.6° | 109.5° |
| N1 | C17 | H16 | 110.0° | 109.5° |
| N1 | C17 | H17 | 109.9° | 109.5° |
| O5 | C15 | C17 | 120.5° | 120.0° |
| O5 | C15 | N2 | 123.0° | 120.0° |
| C18 | C16 | N2 | 112.0° | 109.5° |
| C18 | C16 | H14 | 108.9° | 109.5° |
| C18 | C16 | H15 | 108.8° | 109.5° |
| C16 | C18 | H18 | 109.5° | 109.5° |
| C16 | C18 | H19 | 109.5° | 109.5° |
| C16 | C18 | H20 | 109.5° | 109.4° |
| C17 | C15 | N2 | 116.5° | 120.0° |
| C15 | C17 | H16 | 109.9° | 109.5° |
| C15 | C17 | H17 | 109.9° | 109.4° |
| C15 | N2 | C16 | 121.5° | 120.0° |
| C15 | N2 | H2 | 119.2° | 120.0° |
| C16 | N2 | H2 | 119.2° | 120.0° |
| N2 | C16 | H14 | 108.8° | 109.5° |
| N2 | C16 | H15 | 108.8° | 109.4° |
| H11 | C14 | H12 | 109.4° | 109.4° |
| H11 | C14 | H13 | 109.4° | 109.4° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C2 | C3 | C1 | 180.0° | 179.9° |
| O4 | C2 | C3 | C4 | 180.0° | 180.0° |
| O4 | C2 | C1 | C6 | 180.0° | 179.9° |
| O4 | C2 | C1 | H1 | 0.0° | 0.3° |
| O4 | C2 | C3 | H3 | 0.0° | 0.1° |
| C14 | O2 | C11 | C12 | 15.2° | 0.0° |
| C14 | O2 | C11 | C10 | 164.8° | 180.0° |
| O2 | C14 | H11 | H12 | 120.0° | 120.0° |
| O2 | C14 | H11 | H13 | 120.0° | 120.0° |
| O2 | C14 | H12 | H13 | 120.0° | 120.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.0° | 0.0° |
| C2 | C3 | C4 | O3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C3 | C2 | O4 | H5 | 180.0° | 90.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C1 | C2 | O4 | H5 | 0.0° | 90.0° |
| C2 | C1 | C6 | H6 | 179.9° | 179.7° |
| O2 | C11 | C12 | C10 | 180.0° | 180.0° |
| O2 | C11 | C12 | C13 | 180.0° | 179.7° |
| O2 | C11 | C10 | C9 | 180.0° | 180.0° |
| O2 | C11 | C10 | H8 | 0.0° | 0.0° |
| O2 | C11 | C12 | H9 | 0.0° | 0.0° |
| C11 | O2 | C14 | H11 | 180.0° | 60.0° |
| C11 | O2 | C14 | H12 | 60.0° | 59.9° |
| C11 | O2 | C14 | H13 | 60.0° | 180.0° |
| C3 | C4 | O3 | C5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | C7 | 180.0° | 180.0° |
| C3 | C4 | O3 | H4 | 180.0° | 90.0° |
| C11 | C12 | C13 | H9 | 180.0° | 179.8° |
| C11 | C12 | C13 | C8 | 0.0° | 0.6° |
| C12 | C11 | C10 | C9 | 0.0° | 0.0° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.3° |
| C12 | C13 | C8 | H10 | 180.0° | 179.4° |
| C12 | C13 | C8 | C9 | 0.0° | 0.6° |
| C12 | C13 | C8 | N1 | 180.0° | 179.7° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.6° |
| C1 | C6 | C5 | C7 | 180.0° | 180.0° |
| C11 | C10 | C9 | H8 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.0° | 0.0° |
| C11 | C10 | C9 | H7 | 180.0° | 180.0° |
| C10 | C11 | C12 | H9 | 180.0° | 179.9° |
| O3 | C4 | C5 | C6 | 180.0° | 180.0° |
| O3 | C4 | C5 | C7 | 0.0° | 0.1° |
| O3 | C4 | C3 | H3 | 0.0° | 0.0° |
| C4 | C5 | C6 | C7 | 180.0° | 179.9° |
| C4 | C5 | C7 | N1 | 113.7° | 145.8° |
| C4 | C5 | C7 | O1 | 66.2° | 34.2° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C5 | C4 | O3 | H4 | 0.1° | 90.0° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C13 | C8 | C9 | C10 | 0.0° | 0.3° |
| C13 | C8 | C9 | N1 | 180.0° | 179.7° |
| C13 | C8 | N1 | C7 | 81.7° | 172.5° |
| C13 | C8 | N1 | C17 | 125.3° | 7.5° |
| C13 | C8 | C9 | H7 | 180.0° | 179.7° |
| C8 | C13 | C12 | H9 | 180.0° | 179.6° |
| C6 | C5 | C7 | N1 | 66.3° | 34.3° |
| C6 | C5 | C7 | O1 | 113.8° | 145.7° |
| C5 | C6 | C1 | H1 | 180.0° | 179.8° |
| C10 | C9 | C8 | H7 | 180.0° | 179.9° |
| C10 | C9 | C8 | N1 | 180.0° | 180.0° |
| C5 | C7 | N1 | C8 | 15.0° | 172.4° |
| C5 | C7 | N1 | O1 | 180.0° | 180.0° |
| C5 | C7 | N1 | C17 | 167.2° | 7.5° |
| C7 | C5 | C6 | H6 | 0.1° | 0.4° |
| C9 | C8 | N1 | C7 | 98.4° | 7.8° |
| C9 | C8 | N1 | C17 | 54.7° | 172.1° |
| C8 | C9 | C10 | H8 | 180.0° | 179.9° |
| C9 | C8 | C13 | H10 | 180.0° | 180.0° |
| C8 | N1 | C7 | C17 | 152.3° | 179.9° |
| C8 | N1 | C7 | O1 | 165.0° | 7.6° |
| C8 | N1 | C17 | C15 | 56.2° | 76.2° |
| N1 | C8 | C9 | H7 | 0.0° | 0.1° |
| N1 | C8 | C13 | H10 | 0.0° | 0.3° |
| C8 | N1 | C17 | H16 | 63.5° | 43.8° |
| C8 | N1 | C17 | H17 | 175.9° | 163.9° |
| C7 | N1 | C17 | C15 | 149.5° | 103.9° |
| C7 | N1 | C17 | H16 | 90.8° | 136.1° |
| C7 | N1 | C17 | H17 | 29.8° | 16.1° |
| O1 | C7 | N1 | C17 | 12.8° | 172.5° |
| N1 | C17 | C15 | O5 | 43.2° | 0.0° |
| N1 | C17 | C15 | H16 | 119.7° | 120.1° |
| N1 | C17 | C15 | H17 | 119.7° | 120.0° |
| N1 | C17 | C15 | N2 | 136.8° | 180.0° |
| N1 | C17 | H16 | H17 | 120.9° | 120.0° |
| O5 | C15 | C17 | N2 | 180.0° | 180.0° |
| O5 | C15 | N2 | C16 | 12.7° | 0.0° |
| O5 | C15 | N2 | H2 | 167.3° | 180.0° |
| O5 | C15 | C17 | H16 | 162.9° | 120.0° |
| O5 | C15 | C17 | H17 | 76.5° | 120.0° |
| C18 | C16 | N2 | C15 | 83.3° | 180.0° |
| C18 | C16 | N2 | H14 | 120.4° | 120.1° |
| C18 | C16 | N2 | H15 | 120.4° | 120.0° |
| C18 | C16 | N2 | H2 | 96.6° | 0.0° |
| C18 | C16 | H14 | H15 | 118.9° | 120.0° |
| C16 | C18 | H18 | H19 | 120.0° | 120.0° |
| C16 | C18 | H18 | H20 | 120.0° | 120.0° |
| C16 | C18 | H19 | H20 | 120.0° | 119.9° |
| C17 | C15 | N2 | C16 | 167.3° | 180.0° |
| C17 | C15 | N2 | H2 | 12.7° | 0.0° |
| C15 | C17 | H16 | H17 | 120.9° | 119.9° |
| C15 | N2 | C16 | H2 | 180.0° | 180.0° |
| C15 | N2 | C16 | H14 | 37.1° | 60.0° |
| C15 | N2 | C16 | H15 | 156.3° | 60.0° |
| N2 | C15 | C17 | H16 | 17.1° | 60.0° |
| N2 | C15 | C17 | H17 | 103.5° | 60.0° |
| N2 | C16 | H14 | H15 | 118.8° | 120.0° |
| N2 | C16 | C18 | H18 | 180.0° | 59.9° |
| N2 | C16 | C18 | H19 | 60.0° | 60.1° |
| N2 | C16 | C18 | H20 | 60.0° | 180.0° |
| H1 | C1 | C6 | H6 | 0.1° | 0.1° |
| H2 | N2 | C16 | H14 | 143.0° | 120.1° |
| H2 | N2 | C16 | H15 | 23.7° | 120.0° |
| H7 | C9 | C10 | H8 | 0.0° | 0.0° |
| H9 | C12 | C13 | H10 | 0.0° | 0.3° |
| H11 | C14 | H12 | H13 | 120.0° | 119.9° |
| H14 | C16 | C18 | H18 | 59.6° | 180.0° |
| H14 | C16 | C18 | H19 | 60.4° | 60.0° |
| H14 | C16 | C18 | H20 | 179.6° | 60.0° |
| H15 | C16 | C18 | H18 | 59.7° | 60.0° |
| H15 | C16 | C18 | H19 | 179.7° | 180.0° |
| H15 | C16 | C18 | H20 | 60.4° | 60.1° |
| H18 | C18 | H19 | H20 | 120.0° | 120.1° |
