9N2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C8 | doub | 1.21Å | 1.23Å | |
| N | C | trip | 1.14Å | 1.14Å | |
| C2 | C3 | doub | 1.36Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.50Å | |
| C8 | C9 | sing | 1.48Å | 1.48Å | |
| C3 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C | C1 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | doub | 1.37Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C15 | doub | 1.42Å | 1.41Å | Aromatic |
| C7 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
| C14 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| O1 | C13 | sing | 1.36Å | 1.36Å | |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | F | sing | 1.35Å | 1.35Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C8 | C7 | 120.7° | 120.0° |
| O | C8 | C9 | 119.9° | 120.0° |
| N | C | C1 | 178.2° | 180.0° |
| C3 | C2 | C1 | 121.0° | 120.8° |
| C2 | C3 | C4 | 121.0° | 120.0° |
| C2 | C3 | H7 | 119.5° | 119.9° |
| C3 | C2 | H8 | 119.5° | 119.6° |
| C2 | C1 | C | 119.5° | 119.7° |
| C2 | C1 | C16 | 119.6° | 120.6° |
| C1 | C2 | H8 | 119.5° | 119.6° |
| C7 | C8 | C9 | 119.4° | 120.0° |
| C8 | C7 | C6 | 119.4° | 119.3° |
| C8 | C7 | N1 | 116.1° | 119.3° |
| C8 | C9 | C14 | 119.6° | 120.1° |
| C8 | C9 | C10 | 120.4° | 120.1° |
| C3 | C4 | C5 | 123.7° | 121.0° |
| C3 | C4 | C15 | 118.5° | 119.9° |
| C4 | C3 | H7 | 119.5° | 120.0° |
| C | C1 | C16 | 120.8° | 119.7° |
| C6 | C5 | C4 | 120.2° | 118.3° |
| C5 | C6 | C7 | 118.6° | 119.8° |
| C5 | C6 | H5 | 120.7° | 120.1° |
| C6 | C5 | H6 | 119.9° | 120.8° |
| C5 | C4 | C15 | 117.6° | 119.1° |
| C4 | C5 | H6 | 119.9° | 120.9° |
| C1 | C16 | C15 | 120.3° | 119.5° |
| C1 | C16 | H9 | 119.9° | 120.3° |
| C6 | C7 | N1 | 124.1° | 121.4° |
| C7 | C6 | H5 | 120.7° | 120.1° |
| C4 | C15 | C16 | 119.4° | 119.2° |
| C4 | C15 | N1 | 121.7° | 120.0° |
| C7 | N1 | C15 | 117.6° | 121.4° |
| C16 | C15 | N1 | 118.8° | 120.8° |
| C15 | C16 | H9 | 119.8° | 120.2° |
| C9 | C14 | C13 | 120.0° | 119.8° |
| C14 | C9 | C10 | 119.9° | 119.8° |
| C9 | C14 | H4 | 120.0° | 120.1° |
| C14 | C13 | O1 | 117.9° | 120.0° |
| C14 | C13 | C12 | 118.3° | 120.0° |
| C13 | C14 | H4 | 120.0° | 120.1° |
| C9 | C10 | C11 | 120.5° | 120.0° |
| C9 | C10 | H2 | 119.8° | 120.0° |
| O1 | C13 | C12 | 123.8° | 120.0° |
| C13 | O1 | H3 | 109.5° | 114.0° |
| C13 | C12 | C11 | 122.5° | 120.2° |
| C13 | C12 | F | 118.0° | 119.9° |
| C10 | C11 | C12 | 118.7° | 120.2° |
| C10 | C11 | H1 | 120.6° | 119.9° |
| C11 | C10 | H2 | 119.7° | 120.1° |
| C11 | C12 | F | 119.5° | 119.9° |
| C12 | C11 | H1 | 120.7° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C8 | C7 | C9 | 179.7° | 179.9° |
| O | C8 | C7 | C6 | 59.3° | 6.8° |
| O | C8 | C7 | N1 | 114.4° | 172.9° |
| O | C8 | C9 | C14 | 15.9° | 5.5° |
| O | C8 | C9 | C10 | 162.3° | 173.8° |
| N | C | C1 | C2 | 11.8° | 24.7° |
| N | C | C1 | C16 | 166.6° | 154.8° |
| C3 | C2 | C1 | H8 | 180.0° | 180.0° |
| C2 | C3 | C4 | H7 | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 178.6° | 180.0° |
| C2 | C3 | C4 | C5 | 175.5° | 179.9° |
| C3 | C2 | C1 | C16 | 0.2° | 0.5° |
| C2 | C3 | C4 | C15 | 0.7° | 0.3° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| C2 | C1 | C | C16 | 178.4° | 179.5° |
| C2 | C1 | C16 | C15 | 1.1° | 0.8° |
| C1 | C2 | C3 | H7 | 178.9° | 180.0° |
| C2 | C1 | C16 | H9 | 178.9° | 179.7° |
| C8 | C7 | C6 | C5 | 169.9° | 180.0° |
| C8 | C7 | C6 | N1 | 173.2° | 179.6° |
| C8 | C7 | N1 | C15 | 169.4° | 179.9° |
| C7 | C8 | C9 | C14 | 164.4° | 174.6° |
| C7 | C8 | C9 | C10 | 17.4° | 6.1° |
| C8 | C7 | C6 | H5 | 10.1° | 0.1° |
| C9 | C8 | C7 | C6 | 120.4° | 173.1° |
| C9 | C8 | C7 | N1 | 65.9° | 7.2° |
| C8 | C9 | C14 | C10 | 178.2° | 179.3° |
| C8 | C9 | C14 | C13 | 178.5° | 180.0° |
| C8 | C9 | C10 | C11 | 177.7° | 179.8° |
| C8 | C9 | C10 | H2 | 2.3° | 0.2° |
| C8 | C9 | C14 | H4 | 1.5° | 0.7° |
| C3 | C4 | C5 | C6 | 174.1° | 180.0° |
| C3 | C4 | C5 | C15 | 176.2° | 179.8° |
| C3 | C4 | C15 | C16 | 0.6° | 0.0° |
| C3 | C4 | C15 | N1 | 175.0° | 179.9° |
| C3 | C4 | C5 | H6 | 5.9° | 0.1° |
| C4 | C3 | C2 | H8 | 178.9° | 180.0° |
| C | C1 | C16 | C15 | 177.3° | 179.7° |
| C | C1 | C2 | H8 | 1.4° | 0.0° |
| C | C1 | C16 | H9 | 2.7° | 0.2° |
| C6 | C5 | C4 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C15 | 2.1° | 0.2° |
| C5 | C6 | C7 | N1 | 3.3° | 0.3° |
| C4 | C5 | C6 | C7 | 0.0° | 0.1° |
| C5 | C4 | C15 | C16 | 177.0° | 179.8° |
| C5 | C4 | C15 | N1 | 1.4° | 0.2° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | H7 | 4.5° | 0.0° |
| C1 | C16 | C15 | C4 | 1.5° | 0.5° |
| C1 | C16 | C15 | H9 | 180.0° | 179.5° |
| C1 | C16 | C15 | N1 | 174.3° | 179.4° |
| C16 | C1 | C2 | H8 | 179.8° | 179.4° |
| C6 | C7 | N1 | C15 | 4.0° | 0.3° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C4 | C15 | N1 | C7 | 1.6° | 0.0° |
| C4 | C15 | C16 | N1 | 175.8° | 179.9° |
| C15 | C4 | C5 | H6 | 177.9° | 179.8° |
| C15 | C4 | C3 | H7 | 179.3° | 179.8° |
| C4 | C15 | C16 | H9 | 178.5° | 179.9° |
| C7 | N1 | C15 | C16 | 174.1° | 180.0° |
| N1 | C7 | C6 | H5 | 176.7° | 179.8° |
| N1 | C15 | C16 | H9 | 5.7° | 0.1° |
| C9 | C14 | C13 | H4 | 180.0° | 179.3° |
| C9 | C14 | C13 | O1 | 179.8° | 179.5° |
| C9 | C14 | C13 | C12 | 0.8° | 0.5° |
| C14 | C9 | C10 | C11 | 0.5° | 0.4° |
| C14 | C9 | C10 | H2 | 179.5° | 179.5° |
| C13 | C14 | C9 | C10 | 0.3° | 0.7° |
| C14 | C13 | O1 | C12 | 179.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.5° | 0.1° |
| C14 | C13 | C12 | F | 177.2° | 179.7° |
| C14 | C13 | O1 | H3 | 180.0° | 90.0° |
| C9 | C10 | C11 | H2 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.8° | 0.1° |
| C9 | C10 | C11 | H1 | 179.2° | 180.0° |
| C10 | C9 | C14 | H4 | 179.7° | 180.0° |
| O1 | C13 | C12 | C11 | 179.5° | 180.0° |
| O1 | C13 | C12 | F | 1.8° | 0.3° |
| O1 | C13 | C14 | H4 | 0.2° | 0.2° |
| C13 | C12 | C11 | C10 | 0.3° | 0.4° |
| C13 | C12 | C11 | F | 177.7° | 179.7° |
| C13 | C12 | C11 | H1 | 179.7° | 179.7° |
| C12 | C13 | O1 | H3 | 1.0° | 90.0° |
| C12 | C13 | C14 | H4 | 179.2° | 179.7° |
| C10 | C11 | C12 | H1 | 180.0° | 179.9° |
| C10 | C11 | C12 | F | 177.9° | 180.0° |
| C12 | C11 | C10 | H2 | 179.2° | 179.9° |
| F | C12 | C11 | H1 | 2.0° | 0.1° |
| H1 | C11 | C10 | H2 | 0.8° | 0.0° |
| H5 | C6 | C5 | H6 | 0.0° | 0.0° |
| H7 | C3 | C2 | H8 | 1.1° | 0.1° |
