6H2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C5 | sing | 1.36Å | 1.37Å | |
| O9 | C4 | sing | 1.36Å | 1.36Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C10 | sing | 1.48Å | 1.48Å | |
| C10 | C14 | doub | 1.36Å | 1.34Å | Aromatic |
| C10 | N11 | sing | 1.34Å | 1.37Å | Aromatic |
| C14 | N13 | sing | 1.37Å | 1.35Å | Aromatic |
| N11 | C12 | doub | 1.32Å | 1.34Å | Aromatic |
| N13 | C12 | sing | 1.37Å | 1.39Å | Aromatic |
| N13 | C18 | sing | 1.37Å | 1.36Å | Aromatic |
| C12 | C15 | sing | 1.41Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.35Å | 1.35Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.38Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| O8 | H4 | sing | 0.97Å | 0.95Å | |
| O9 | H5 | sing | 0.97Å | 0.95Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C5 | C4 | 118.4° | 120.0° |
| O8 | C5 | C6 | 121.6° | 119.9° |
| C5 | O8 | H4 | 109.5° | 114.0° |
| O9 | C4 | C5 | 120.9° | 120.0° |
| O9 | C4 | C3 | 118.6° | 120.0° |
| C4 | O9 | H5 | 109.5° | 114.0° |
| C4 | C5 | C6 | 119.9° | 120.1° |
| C5 | C4 | C3 | 120.5° | 120.0° |
| C5 | C6 | C7 | 119.6° | 120.1° |
| C5 | C6 | H2 | 120.2° | 120.0° |
| C4 | C3 | C2 | 120.6° | 119.9° |
| C4 | C3 | H1 | 119.7° | 120.1° |
| C6 | C7 | C2 | 120.0° | 120.0° |
| C7 | C6 | H2 | 120.2° | 120.0° |
| C6 | C7 | H3 | 120.0° | 119.9° |
| C3 | C2 | C7 | 119.1° | 119.9° |
| C3 | C2 | C10 | 118.1° | 120.1° |
| C2 | C3 | H1 | 119.7° | 120.0° |
| C7 | C2 | C10 | 121.9° | 120.0° |
| C2 | C7 | H3 | 120.0° | 120.0° |
| C2 | C10 | C14 | 126.9° | 125.8° |
| C2 | C10 | N11 | 123.1° | 125.8° |
| C14 | C10 | N11 | 109.5° | 108.3° |
| C10 | C14 | N13 | 108.5° | 107.0° |
| C10 | C14 | H6 | 125.7° | 126.5° |
| C10 | N11 | C12 | 106.3° | 109.1° |
| C14 | N13 | C12 | 106.1° | 107.2° |
| C14 | N13 | C18 | 129.8° | 132.3° |
| N13 | C14 | H6 | 125.8° | 126.5° |
| N11 | C12 | N13 | 109.5° | 108.3° |
| N11 | C12 | C15 | 134.0° | 132.1° |
| C12 | N13 | C18 | 124.0° | 120.4° |
| N13 | C12 | C15 | 116.5° | 119.6° |
| N13 | C18 | C17 | 119.4° | 120.6° |
| N13 | C18 | H10 | 120.3° | 119.7° |
| C12 | C15 | C16 | 119.2° | 119.4° |
| C12 | C15 | H7 | 120.4° | 120.4° |
| C18 | C17 | C16 | 118.5° | 120.3° |
| C18 | C17 | H9 | 120.8° | 119.9° |
| C17 | C18 | H10 | 120.3° | 119.7° |
| C15 | C16 | C17 | 122.5° | 119.6° |
| C16 | C15 | H7 | 120.4° | 120.3° |
| C15 | C16 | H8 | 118.8° | 120.2° |
| C17 | C16 | H8 | 118.8° | 120.1° |
| C16 | C17 | H9 | 120.7° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C5 | C4 | O9 | 0.7° | 0.0° |
| O8 | C5 | C4 | C6 | 178.7° | 180.0° |
| O8 | C5 | C4 | C3 | 179.8° | 180.0° |
| O8 | C5 | C6 | C7 | 179.3° | 179.8° |
| O8 | C5 | C6 | H2 | 0.7° | 0.0° |
| O9 | C4 | C5 | C3 | 179.6° | 180.0° |
| O9 | C4 | C5 | C6 | 179.4° | 180.0° |
| O9 | C4 | C3 | C2 | 176.5° | 179.9° |
| O9 | C4 | C3 | H1 | 3.5° | 0.0° |
| C4 | C5 | C6 | C7 | 0.6° | 0.2° |
| C5 | C4 | C3 | C2 | 3.9° | 0.0° |
| C5 | C4 | C3 | H1 | 176.1° | 180.0° |
| C4 | C5 | C6 | H2 | 179.4° | 180.0° |
| C4 | C5 | O8 | H4 | 180.0° | 90.0° |
| C5 | C4 | O9 | H5 | 180.0° | 90.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C5 | C6 | C7 | H2 | 180.0° | 179.8° |
| C5 | C6 | C7 | C2 | 3.1° | 0.4° |
| C5 | C6 | C7 | H3 | 176.9° | 180.0° |
| C6 | C5 | O8 | H4 | 1.3° | 90.0° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 6.3° | 0.3° |
| C4 | C3 | C2 | C10 | 175.3° | 180.0° |
| C3 | C4 | O9 | H5 | 0.4° | 90.0° |
| C6 | C7 | C2 | C3 | 5.8° | 0.5° |
| C6 | C7 | C2 | H3 | 180.0° | 179.6° |
| C6 | C7 | C2 | C10 | 174.4° | 179.8° |
| C3 | C2 | C7 | C10 | 168.6° | 179.7° |
| C3 | C2 | C10 | C14 | 33.6° | 180.0° |
| C3 | C2 | C10 | N11 | 154.6° | 0.4° |
| C3 | C2 | C7 | H3 | 174.2° | 179.9° |
| C7 | C2 | C10 | C14 | 135.1° | 0.3° |
| C7 | C2 | C10 | N11 | 36.7° | 179.9° |
| C7 | C2 | C3 | H1 | 173.7° | 179.8° |
| C2 | C7 | C6 | H2 | 176.9° | 179.7° |
| C2 | C10 | C14 | N11 | 172.8° | 179.7° |
| C2 | C10 | C14 | N13 | 174.9° | 179.9° |
| C2 | C10 | N11 | C12 | 174.3° | 180.0° |
| C10 | C2 | C3 | H1 | 4.7° | 0.1° |
| C10 | C2 | C7 | H3 | 5.6° | 0.2° |
| C2 | C10 | C14 | H6 | 5.1° | 0.1° |
| C10 | C14 | N13 | H6 | 180.0° | 179.8° |
| C14 | C10 | N11 | C12 | 1.2° | 0.3° |
| C10 | C14 | N13 | C12 | 2.2° | 0.4° |
| C10 | C14 | N13 | C18 | 179.8° | 179.8° |
| N11 | C10 | C14 | N13 | 2.1° | 0.4° |
| C10 | N11 | C12 | N13 | 0.2° | 0.1° |
| C10 | N11 | C12 | C15 | 178.5° | 180.0° |
| N11 | C10 | C14 | H6 | 177.9° | 179.8° |
| C14 | N13 | C12 | N11 | 1.4° | 0.2° |
| C14 | N13 | C12 | C18 | 178.1° | 179.8° |
| C14 | N13 | C12 | C15 | 179.9° | 179.7° |
| C14 | N13 | C18 | C17 | 178.6° | 179.7° |
| C14 | N13 | C18 | H10 | 1.4° | 0.3° |
| N11 | C12 | N13 | C15 | 178.6° | 179.9° |
| N11 | C12 | N13 | C18 | 179.6° | 180.0° |
| N11 | C12 | C15 | C16 | 179.8° | 180.0° |
| N11 | C12 | C15 | H7 | 0.2° | 0.1° |
| C12 | N13 | C18 | C17 | 0.9° | 0.1° |
| N13 | C12 | C15 | C16 | 1.6° | 0.1° |
| C12 | N13 | C14 | H6 | 177.8° | 179.8° |
| N13 | C12 | C15 | H7 | 178.4° | 180.0° |
| C12 | N13 | C18 | H10 | 179.1° | 180.0° |
| C18 | N13 | C12 | C15 | 1.8° | 0.1° |
| N13 | C18 | C17 | H10 | 180.0° | 180.0° |
| N13 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | N13 | C14 | H6 | 0.2° | 0.0° |
| N13 | C18 | C17 | H9 | 179.9° | 180.0° |
| C12 | C15 | C16 | H7 | 180.0° | 179.9° |
| C12 | C15 | C16 | C17 | 0.6° | 0.1° |
| C12 | C15 | C16 | H8 | 179.4° | 179.9° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C18 | C17 | C16 | H9 | 180.0° | 180.0° |
| C18 | C17 | C16 | H8 | 179.8° | 180.0° |
| C15 | C16 | C17 | H8 | 180.0° | 180.0° |
| C15 | C16 | C17 | H9 | 179.8° | 180.0° |
| C17 | C16 | C15 | H7 | 179.3° | 180.0° |
| C16 | C17 | C18 | H10 | 179.9° | 180.0° |
| H2 | C6 | C7 | H3 | 3.0° | 0.1° |
| H7 | C15 | C16 | H8 | 0.6° | 0.0° |
| H8 | C16 | C17 | H9 | 0.3° | 0.0° |
| H9 | C17 | C18 | H10 | 0.1° | 0.0° |
