N9N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C13 | sing | 1.36Å | 1.40Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | O17 | sing | 1.36Å | 1.40Å | |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C08 | sing | 1.47Å | 1.53Å | |
| C15 | O16 | sing | 1.36Å | 1.40Å | |
| C08 | O09 | doub | 1.22Å | 1.18Å | |
| C08 | C05 | sing | 1.48Å | 1.53Å | |
| C06 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.40Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| O16 | H8 | sing | 0.97Å | 0.95Å | |
| O17 | H9 | sing | 0.97Å | 0.95Å | |
| O18 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C13 | C12 | 120.4° | 119.9° |
| O18 | C13 | C14 | 119.7° | 119.9° |
| C13 | O18 | H10 | 109.5° | 114.0° |
| C13 | C12 | C11 | 120.5° | 120.3° |
| C12 | C13 | C14 | 119.9° | 120.2° |
| C13 | C12 | H7 | 119.7° | 119.8° |
| C12 | C11 | C10 | 119.5° | 120.0° |
| C12 | C11 | H6 | 120.3° | 120.0° |
| C11 | C12 | H7 | 119.7° | 119.9° |
| C13 | C14 | O17 | 120.6° | 120.0° |
| C13 | C14 | C15 | 119.3° | 120.0° |
| C11 | C10 | C15 | 119.6° | 119.8° |
| C11 | C10 | C08 | 122.5° | 120.1° |
| C10 | C11 | H6 | 120.2° | 120.0° |
| O17 | C14 | C15 | 120.1° | 120.0° |
| C14 | O17 | H9 | 109.5° | 114.0° |
| C14 | C15 | C10 | 121.1° | 119.6° |
| C14 | C15 | O16 | 119.3° | 120.2° |
| C15 | C10 | C08 | 117.9° | 120.1° |
| C10 | C15 | O16 | 119.6° | 120.2° |
| C10 | C08 | O09 | 117.6° | 120.0° |
| C10 | C08 | C05 | 125.2° | 120.0° |
| C15 | O16 | H8 | 109.5° | 114.0° |
| O09 | C08 | C05 | 117.3° | 120.0° |
| C08 | C05 | C06 | 120.3° | 120.1° |
| C08 | C05 | C04 | 120.1° | 120.1° |
| C05 | C06 | C07 | 120.4° | 119.9° |
| C06 | C05 | C04 | 119.6° | 119.9° |
| C05 | C06 | H4 | 119.8° | 120.1° |
| C06 | C07 | C02 | 119.9° | 120.1° |
| C07 | C06 | H4 | 119.8° | 120.1° |
| C06 | C07 | H5 | 120.1° | 120.0° |
| C05 | C04 | C03 | 120.0° | 119.9° |
| C05 | C04 | H3 | 120.0° | 120.1° |
| C07 | C02 | C03 | 119.7° | 120.1° |
| C07 | C02 | O01 | 120.8° | 120.0° |
| C02 | C07 | H5 | 120.0° | 119.9° |
| C04 | C03 | C02 | 120.4° | 120.1° |
| C04 | C03 | H2 | 119.8° | 119.9° |
| C03 | C04 | H3 | 120.0° | 120.0° |
| C03 | C02 | O01 | 119.5° | 119.9° |
| C02 | C03 | H2 | 119.8° | 119.9° |
| C02 | O01 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C13 | C12 | C14 | 179.8° | 179.9° |
| O18 | C13 | C12 | C11 | 179.7° | 179.7° |
| O18 | C13 | C14 | O17 | 0.1° | 0.1° |
| O18 | C13 | C14 | C15 | 179.9° | 179.5° |
| O18 | C13 | C12 | H7 | 0.3° | 0.1° |
| C13 | C12 | C11 | H7 | 180.0° | 179.6° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C14 | O17 | 179.7° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.6° |
| C13 | C12 | C11 | H6 | 179.8° | 179.9° |
| C12 | C13 | O18 | H10 | 180.0° | 89.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 0.5° | 0.0° |
| C12 | C11 | C10 | C08 | 179.2° | 179.8° |
| C13 | C14 | O17 | C15 | 179.7° | 179.4° |
| C13 | C14 | C15 | C10 | 0.4° | 0.5° |
| C13 | C14 | C15 | O16 | 179.6° | 179.4° |
| C14 | C13 | C12 | H7 | 179.9° | 180.0° |
| C13 | C14 | O17 | H9 | 180.0° | 90.0° |
| C14 | C13 | O18 | H10 | 0.2° | 90.0° |
| C11 | C10 | C15 | C14 | 0.7° | 0.2° |
| C11 | C10 | C15 | C08 | 178.7° | 179.8° |
| C11 | C10 | C15 | O16 | 179.4° | 179.7° |
| C11 | C10 | C08 | O09 | 150.6° | 75.6° |
| C11 | C10 | C08 | C05 | 30.0° | 104.4° |
| C10 | C11 | C12 | H7 | 179.9° | 179.7° |
| O17 | C14 | C15 | C10 | 179.3° | 180.0° |
| O17 | C14 | C15 | O16 | 0.6° | 0.0° |
| C14 | C15 | C10 | O16 | 179.9° | 179.9° |
| C14 | C15 | C10 | C08 | 179.4° | 180.0° |
| C14 | C15 | O16 | H8 | 168.2° | 90.0° |
| C15 | C14 | O17 | H9 | 0.3° | 89.5° |
| C15 | C10 | C08 | O09 | 28.1° | 104.6° |
| C15 | C10 | C08 | C05 | 151.3° | 75.4° |
| C15 | C10 | C11 | H6 | 179.4° | 180.0° |
| C10 | C15 | O16 | H8 | 11.9° | 90.0° |
| C08 | C10 | C15 | O16 | 0.7° | 0.1° |
| C10 | C08 | O09 | C05 | 179.4° | 180.0° |
| C10 | C08 | C05 | C06 | 106.3° | 5.4° |
| C10 | C08 | C05 | C04 | 75.8° | 174.5° |
| C08 | C10 | C11 | H6 | 0.8° | 0.2° |
| O09 | C08 | C05 | C06 | 74.3° | 174.6° |
| O09 | C08 | C05 | C04 | 103.6° | 5.5° |
| C08 | C05 | C06 | C04 | 178.0° | 179.9° |
| C08 | C05 | C06 | C07 | 179.0° | 179.8° |
| C08 | C05 | C04 | C03 | 178.8° | 180.0° |
| C08 | C05 | C04 | H3 | 1.1° | 0.1° |
| C08 | C05 | C06 | H4 | 1.1° | 0.0° |
| C05 | C06 | C07 | H4 | 180.0° | 179.8° |
| C05 | C06 | C07 | C02 | 0.7° | 0.5° |
| C06 | C05 | C04 | C03 | 0.9° | 0.1° |
| C06 | C05 | C04 | H3 | 179.1° | 180.0° |
| C05 | C06 | C07 | H5 | 179.3° | 180.0° |
| C07 | C06 | C05 | C04 | 1.0° | 0.3° |
| C06 | C07 | C02 | H5 | 180.0° | 179.5° |
| C06 | C07 | C02 | C03 | 0.2° | 0.5° |
| C06 | C07 | C02 | O01 | 179.8° | 179.7° |
| C05 | C04 | C03 | H3 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.4° | 0.1° |
| C05 | C04 | C03 | H2 | 179.6° | 180.0° |
| C04 | C05 | C06 | H4 | 179.0° | 179.9° |
| C07 | C02 | C03 | C04 | 0.1° | 0.3° |
| C07 | C02 | C03 | O01 | 179.6° | 179.8° |
| C07 | C02 | O01 | H1 | 180.0° | 90.2° |
| C07 | C02 | C03 | H2 | 179.9° | 179.8° |
| C02 | C07 | C06 | H4 | 179.4° | 179.7° |
| C04 | C03 | C02 | H2 | 180.0° | 179.9° |
| C04 | C03 | C02 | O01 | 179.7° | 179.9° |
| C03 | C02 | O01 | H1 | 0.4° | 90.0° |
| C02 | C03 | C04 | H3 | 179.6° | 180.0° |
| C03 | C02 | C07 | H5 | 179.8° | 180.0° |
| O01 | C02 | C03 | H2 | 0.3° | 0.0° |
| O01 | C02 | C07 | H5 | 0.2° | 0.2° |
| H2 | C03 | C04 | H3 | 0.5° | 0.1° |
| H4 | C06 | C07 | H5 | 0.7° | 0.2° |
| H6 | C11 | C12 | H7 | 0.1° | 0.3° |
