C0V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| O08 | C07 | doub | 1.22Å | 1.23Å | |
| C18 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C18 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C12 | sing | 1.42Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| O05 | C04 | sing | 1.35Å | 1.24Å | |
| C07 | C09 | sing | 1.48Å | 1.47Å | |
| C07 | C06 | sing | 1.47Å | 1.51Å | |
| C09 | C10 | doub | 1.41Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.41Å | 1.43Å | Aromatic |
| C04 | C06 | doub | 1.35Å | 1.51Å | |
| C04 | C02 | sing | 1.48Å | 1.49Å | |
| C10 | C11 | sing | 1.36Å | 1.38Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.24Å | |
| C02 | O03 | sing | 1.35Å | 1.37Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| O03 | H10 | sing | 0.97Å | 0.95Å | |
| O05 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 119.7° | 119.6° |
| C16 | C15 | C14 | 120.1° | 120.9° |
| C16 | C15 | H3 | 120.0° | 119.5° |
| C15 | C16 | H8 | 120.2° | 120.2° |
| C16 | C17 | C18 | 120.7° | 121.1° |
| C16 | C17 | C12 | 120.4° | 119.4° |
| C17 | C16 | H8 | 120.2° | 120.2° |
| C15 | C14 | C13 | 120.9° | 121.1° |
| C14 | C15 | H3 | 119.9° | 119.6° |
| C15 | C14 | H7 | 119.6° | 119.5° |
| O08 | C07 | C09 | 119.1° | 120.0° |
| O08 | C07 | C06 | 119.6° | 120.0° |
| C17 | C18 | C09 | 121.0° | 119.5° |
| C18 | C17 | C12 | 118.9° | 119.4° |
| C17 | C18 | H9 | 119.5° | 120.3° |
| C18 | C09 | C07 | 118.8° | 119.7° |
| C18 | C09 | C10 | 120.2° | 120.5° |
| C09 | C18 | H9 | 119.5° | 120.3° |
| C17 | C12 | C13 | 118.3° | 119.2° |
| C17 | C12 | C11 | 119.6° | 119.8° |
| C14 | C13 | C12 | 120.7° | 119.7° |
| C14 | C13 | H2 | 119.7° | 120.2° |
| C13 | C14 | H7 | 119.5° | 119.5° |
| O05 | C04 | C06 | 123.2° | 119.9° |
| O05 | C04 | C02 | 114.1° | 120.0° |
| C04 | O05 | H5 | 109.5° | 114.0° |
| C09 | C07 | C06 | 120.7° | 120.0° |
| C07 | C09 | C10 | 121.0° | 119.8° |
| C07 | C06 | C04 | 114.3° | 120.0° |
| C07 | C06 | H4 | 122.9° | 120.0° |
| C09 | C10 | C11 | 119.8° | 120.9° |
| C09 | C10 | H1 | 120.1° | 119.6° |
| C13 | C12 | C11 | 122.1° | 121.0° |
| C12 | C13 | H2 | 119.7° | 120.1° |
| C12 | C11 | C10 | 120.6° | 120.0° |
| C12 | C11 | H6 | 119.7° | 120.0° |
| C06 | C04 | C02 | 115.9° | 120.0° |
| C04 | C06 | H4 | 122.8° | 120.0° |
| C04 | C02 | O01 | 119.4° | 120.0° |
| C04 | C02 | O03 | 118.4° | 120.0° |
| C11 | C10 | H1 | 120.1° | 119.6° |
| C10 | C11 | H6 | 119.7° | 120.0° |
| O01 | C02 | O03 | 115.5° | 120.0° |
| C02 | O03 | H10 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H8 | 180.0° | 180.0° |
| C16 | C15 | C14 | H3 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.1° | 0.0° |
| C16 | C15 | C14 | C13 | 0.6° | 0.0° |
| C16 | C15 | C14 | H7 | 179.4° | 180.0° |
| C17 | C16 | C15 | C14 | 0.5° | 0.0° |
| C16 | C17 | C18 | C12 | 179.9° | 179.9° |
| C16 | C17 | C18 | C09 | 179.5° | 179.1° |
| C16 | C17 | C12 | C13 | 0.2° | 0.1° |
| C16 | C17 | C12 | C11 | 179.9° | 179.4° |
| C17 | C16 | C15 | H3 | 179.5° | 180.0° |
| C16 | C17 | C18 | H9 | 0.5° | 0.0° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.0° |
| C15 | C14 | C13 | H2 | 179.7° | 180.0° |
| C14 | C15 | C16 | H8 | 179.5° | 179.9° |
| O08 | C07 | C09 | C18 | 25.4° | 0.0° |
| O08 | C07 | C09 | C06 | 170.6° | 180.0° |
| O08 | C07 | C09 | C10 | 155.0° | 180.0° |
| O08 | C07 | C06 | C04 | 16.6° | 0.1° |
| O08 | C07 | C06 | H4 | 163.4° | 180.0° |
| C17 | C18 | C09 | H9 | 180.0° | 179.2° |
| C17 | C18 | C09 | C07 | 178.9° | 179.4° |
| C17 | C18 | C09 | C10 | 0.7° | 0.6° |
| C18 | C17 | C12 | C13 | 179.6° | 180.0° |
| C18 | C17 | C12 | C11 | 0.0° | 0.6° |
| C18 | C17 | C16 | H8 | 0.1° | 0.1° |
| C09 | C18 | C17 | C12 | 0.4° | 0.8° |
| C18 | C09 | C07 | C10 | 179.6° | 180.0° |
| C18 | C09 | C07 | C06 | 164.0° | 180.0° |
| C18 | C09 | C10 | C11 | 0.7° | 0.0° |
| C18 | C09 | C10 | H1 | 179.3° | 179.7° |
| C17 | C12 | C13 | C14 | 0.1° | 0.0° |
| C17 | C12 | C13 | C11 | 179.6° | 179.4° |
| C17 | C12 | C11 | C10 | 0.0° | 0.0° |
| C17 | C12 | C13 | H2 | 179.8° | 179.9° |
| C17 | C12 | C11 | H6 | 180.0° | 179.9° |
| C12 | C17 | C16 | H8 | 179.9° | 180.0° |
| C12 | C17 | C18 | H9 | 179.7° | 180.0° |
| C14 | C13 | C12 | H2 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 179.8° | 179.4° |
| C13 | C14 | C15 | H3 | 179.4° | 180.0° |
| O05 | C04 | C06 | C07 | 17.6° | 0.1° |
| O05 | C04 | C06 | C02 | 149.3° | 179.9° |
| O05 | C04 | C02 | O01 | 38.3° | 180.0° |
| O05 | C04 | C02 | O03 | 171.5° | 0.0° |
| O05 | C04 | C06 | H4 | 162.4° | 180.0° |
| C09 | C07 | C06 | C04 | 172.8° | 180.0° |
| C07 | C09 | C10 | C11 | 178.9° | 180.0° |
| C07 | C09 | C10 | H1 | 1.1° | 0.3° |
| C09 | C07 | C06 | H4 | 7.2° | 0.0° |
| C07 | C09 | C18 | H9 | 1.1° | 0.3° |
| C06 | C07 | C09 | C10 | 15.6° | 0.0° |
| C07 | C06 | C04 | H4 | 180.0° | 179.9° |
| C07 | C06 | C04 | C02 | 166.9° | 180.0° |
| C09 | C10 | C11 | C12 | 0.3° | 0.3° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | H6 | 179.7° | 179.7° |
| C10 | C09 | C18 | H9 | 179.3° | 179.7° |
| C13 | C12 | C11 | C10 | 179.6° | 179.4° |
| C13 | C12 | C11 | H6 | 0.4° | 0.6° |
| C12 | C13 | C14 | H7 | 179.7° | 180.0° |
| C12 | C11 | C10 | H6 | 180.0° | 179.9° |
| C12 | C11 | C10 | H1 | 179.7° | 180.0° |
| C11 | C12 | C13 | H2 | 0.2° | 0.6° |
| C06 | C04 | C02 | O01 | 113.8° | 0.1° |
| C06 | C04 | C02 | O03 | 36.5° | 180.0° |
| C06 | C04 | O05 | H5 | 9.5° | 180.0° |
| C04 | C02 | O01 | O03 | 151.1° | 180.0° |
| C02 | C04 | C06 | H4 | 13.1° | 0.1° |
| C04 | C02 | O03 | H10 | 151.4° | 180.0° |
| C02 | C04 | O05 | H5 | 159.3° | 0.1° |
| O01 | C02 | O03 | H10 | 0.0° | 0.0° |
| H1 | C10 | C11 | H6 | 0.3° | 0.0° |
| H2 | C13 | C14 | H7 | 0.3° | 0.0° |
| H3 | C15 | C14 | H7 | 0.6° | 0.0° |
| H3 | C15 | C16 | H8 | 0.5° | 0.0° |
