O2P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.52Å | |
| C6 | O1 | doub | 1.22Å | 1.23Å | |
| C6 | N1 | sing | 1.35Å | 1.37Å | |
| N1 | C5 | sing | 1.40Å | 1.42Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| O2 | C14 | sing | 1.36Å | 1.35Å | |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 118.8° | 120.3° |
| C10 | C11 | C12 | 121.8° | 120.1° |
| C11 | C10 | H4 | 120.6° | 119.8° |
| C10 | C11 | H14 | 119.1° | 120.0° |
| C10 | C9 | C8 | 120.4° | 120.2° |
| C9 | C10 | H4 | 120.6° | 119.9° |
| C10 | C9 | H13 | 119.8° | 119.9° |
| C11 | C12 | C13 | 116.9° | 120.1° |
| C11 | C12 | C7 | 119.4° | 119.9° |
| C12 | C11 | H14 | 119.1° | 119.9° |
| C9 | C8 | C7 | 122.1° | 119.8° |
| C9 | C8 | H3 | 118.9° | 120.1° |
| C8 | C9 | H13 | 119.8° | 119.9° |
| C13 | C12 | C7 | 123.6° | 120.1° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C12 | C13 | H6 | 109.5° | 109.4° |
| C12 | C13 | H7 | 109.5° | 109.4° |
| C12 | C7 | C8 | 117.4° | 119.7° |
| C12 | C7 | C6 | 123.3° | 120.2° |
| C8 | C7 | C6 | 119.3° | 120.1° |
| C7 | C8 | H3 | 118.9° | 120.1° |
| C7 | C6 | O1 | 119.6° | 119.9° |
| C7 | C6 | N1 | 120.0° | 120.0° |
| O1 | C6 | N1 | 120.4° | 120.0° |
| C6 | N1 | C5 | 128.0° | 120.0° |
| C6 | N1 | H1 | 116.0° | 120.0° |
| N1 | C5 | C4 | 123.4° | 120.1° |
| N1 | C5 | C14 | 118.3° | 120.1° |
| C5 | N1 | H1 | 116.0° | 120.0° |
| C4 | C5 | C14 | 118.3° | 119.8° |
| C5 | C4 | C3 | 120.7° | 120.0° |
| C5 | C4 | H2 | 119.6° | 120.0° |
| C5 | C14 | O2 | 118.5° | 120.0° |
| C5 | C14 | C15 | 120.4° | 119.9° |
| O2 | C14 | C15 | 121.1° | 120.1° |
| C14 | O2 | H15 | 109.5° | 114.0° |
| C4 | C3 | C2 | 121.5° | 120.1° |
| C3 | C4 | H2 | 119.7° | 120.0° |
| C4 | C3 | H12 | 119.2° | 119.9° |
| C14 | C15 | C2 | 120.7° | 120.0° |
| C14 | C15 | H8 | 119.6° | 120.0° |
| C3 | C2 | C15 | 118.4° | 120.2° |
| C3 | C2 | C1 | 119.8° | 119.9° |
| C2 | C3 | H12 | 119.3° | 120.0° |
| C15 | C2 | C1 | 121.9° | 120.0° |
| C2 | C15 | H8 | 119.7° | 120.0° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.4° | 109.4° |
| H5 | C13 | H6 | 109.4° | 109.5° |
| H5 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.4° | 109.5° |
| H9 | C1 | H10 | 109.4° | 109.5° |
| H9 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H4 | 180.0° | 179.6° |
| C10 | C11 | C12 | H14 | 180.0° | 179.6° |
| C11 | C10 | C9 | C8 | 0.3° | 0.4° |
| C10 | C11 | C12 | C13 | 179.8° | 180.0° |
| C10 | C11 | C12 | C7 | 0.9° | 0.1° |
| C11 | C10 | C9 | H13 | 179.7° | 179.7° |
| C9 | C10 | C11 | C12 | 0.6° | 0.4° |
| C10 | C9 | C8 | H13 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.3° | 0.1° |
| C10 | C9 | C8 | H3 | 179.7° | 179.9° |
| C9 | C10 | C11 | H14 | 179.4° | 180.0° |
| C11 | C12 | C13 | C7 | 179.3° | 179.9° |
| C11 | C12 | C7 | C8 | 0.9° | 0.2° |
| C11 | C12 | C7 | C6 | 178.8° | 180.0° |
| C12 | C11 | C10 | H4 | 179.4° | 180.0° |
| C11 | C12 | C13 | H5 | 89.7° | 97.1° |
| C11 | C12 | C13 | H6 | 150.3° | 142.9° |
| C11 | C12 | C13 | H7 | 30.3° | 22.9° |
| C9 | C8 | C7 | C12 | 0.6° | 0.2° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 178.6° | 180.0° |
| C8 | C9 | C10 | H4 | 179.7° | 180.0° |
| C13 | C12 | C7 | C8 | 179.8° | 179.7° |
| C13 | C12 | C7 | C6 | 1.9° | 0.0° |
| C12 | C13 | H5 | H6 | 120.0° | 120.0° |
| C12 | C13 | H5 | H7 | 120.0° | 120.0° |
| C12 | C13 | H6 | H7 | 120.0° | 119.9° |
| C13 | C12 | C11 | H14 | 0.2° | 0.3° |
| C12 | C7 | C8 | C6 | 178.0° | 179.8° |
| C12 | C7 | C6 | O1 | 21.0° | 6.9° |
| C12 | C7 | C6 | N1 | 161.3° | 173.1° |
| C12 | C7 | C8 | H3 | 179.4° | 179.8° |
| C7 | C12 | C13 | H5 | 89.6° | 82.8° |
| C7 | C12 | C13 | H6 | 30.4° | 37.2° |
| C7 | C12 | C13 | H7 | 150.4° | 157.1° |
| C7 | C12 | C11 | H14 | 179.1° | 179.7° |
| C8 | C7 | C6 | O1 | 156.9° | 172.9° |
| C8 | C7 | C6 | N1 | 20.8° | 7.2° |
| C7 | C8 | C9 | H13 | 179.7° | 180.0° |
| C7 | C6 | O1 | N1 | 177.7° | 180.0° |
| C7 | C6 | N1 | C5 | 174.3° | 174.9° |
| C7 | C6 | N1 | H1 | 5.7° | 5.5° |
| C6 | C7 | C8 | H3 | 1.4° | 0.0° |
| O1 | C6 | N1 | C5 | 8.0° | 5.1° |
| O1 | C6 | N1 | H1 | 172.0° | 174.5° |
| C6 | N1 | C5 | H1 | 180.0° | 179.6° |
| C6 | N1 | C5 | C4 | 3.9° | 19.9° |
| C6 | N1 | C5 | C14 | 176.2° | 160.2° |
| N1 | C5 | C4 | C14 | 179.9° | 179.9° |
| N1 | C5 | C14 | O2 | 0.4° | 0.0° |
| N1 | C5 | C4 | C3 | 179.7° | 179.9° |
| N1 | C5 | C14 | C15 | 179.7° | 179.9° |
| N1 | C5 | C4 | H2 | 0.3° | 0.3° |
| C4 | C5 | C14 | O2 | 179.7° | 179.9° |
| C5 | C4 | C3 | H2 | 180.0° | 179.7° |
| C4 | C5 | C14 | C15 | 0.4° | 0.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.2° |
| C4 | C5 | N1 | H1 | 176.1° | 160.5° |
| C5 | C4 | C3 | H12 | 179.7° | 179.7° |
| C5 | C14 | O2 | C15 | 179.3° | 180.0° |
| C14 | C5 | C4 | C3 | 0.4° | 0.0° |
| C5 | C14 | C15 | C2 | 0.3° | 0.2° |
| C14 | C5 | N1 | H1 | 3.8° | 19.4° |
| C14 | C5 | C4 | H2 | 179.6° | 179.8° |
| C5 | C14 | C15 | H8 | 179.7° | 179.8° |
| C5 | C14 | O2 | H15 | 180.0° | 90.0° |
| O2 | C14 | C15 | C2 | 179.6° | 179.7° |
| O2 | C14 | C15 | H8 | 0.4° | 0.1° |
| C4 | C3 | C2 | H12 | 180.0° | 179.9° |
| C4 | C3 | C2 | C15 | 0.3° | 0.4° |
| C4 | C3 | C2 | C1 | 178.6° | 179.6° |
| C14 | C15 | C2 | C3 | 0.2° | 0.4° |
| C14 | C15 | C2 | H8 | 180.0° | 179.6° |
| C14 | C15 | C2 | C1 | 178.6° | 179.5° |
| C15 | C14 | O2 | H15 | 0.7° | 90.0° |
| C3 | C2 | C15 | C1 | 178.8° | 180.0° |
| C2 | C3 | C4 | H2 | 179.6° | 180.0° |
| C3 | C2 | C15 | H8 | 179.8° | 180.0° |
| C3 | C2 | C1 | H9 | 89.4° | 90.0° |
| C3 | C2 | C1 | H10 | 150.6° | 30.0° |
| C3 | C2 | C1 | H11 | 30.6° | 150.0° |
| C15 | C2 | C1 | H9 | 89.4° | 90.0° |
| C15 | C2 | C1 | H10 | 30.6° | 150.0° |
| C15 | C2 | C1 | H11 | 150.6° | 30.0° |
| C15 | C2 | C3 | H12 | 179.7° | 179.5° |
| C1 | C2 | C15 | H8 | 1.4° | 0.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 119.9° |
| C2 | C1 | H10 | H11 | 120.0° | 119.9° |
| C1 | C2 | C3 | H12 | 1.4° | 0.6° |
| H2 | C4 | C3 | H12 | 0.4° | 0.1° |
| H3 | C8 | C9 | H13 | 0.3° | 0.0° |
| H4 | C10 | C9 | H13 | 0.3° | 0.1° |
| H4 | C10 | C11 | H14 | 0.6° | 0.4° |
| H5 | C13 | H6 | H7 | 120.0° | 120.0° |
| H9 | C1 | H10 | H11 | 120.0° | 120.1° |
