V5P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| O01 | C02 | sing | 1.36Å | 1.40Å | |
| C02 | C03 | doub | 1.39Å | 1.37Å | Aromatic |
| C07 | C08 | sing | 1.47Å | 1.53Å | |
| C07 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | O04 | sing | 1.36Å | 1.40Å | |
| C08 | C09 | doub | 1.34Å | 1.32Å | |
| C17 | O16 | sing | 1.43Å | 1.40Å | |
| O16 | C15 | sing | 1.36Å | 1.40Å | |
| C18 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| O04 | C05 | sing | 1.43Å | 1.40Å | |
| C09 | C10 | sing | 1.47Å | 1.53Å | |
| C15 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | O14 | sing | 1.36Å | 1.40Å | |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C05 | H053 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C02 | 119.5° | 120.2° |
| C20 | C19 | C07 | 120.3° | 120.0° |
| C20 | C19 | H191 | 119.9° | 120.0° |
| C19 | C20 | H201 | 120.3° | 119.9° |
| C20 | C02 | O01 | 121.6° | 119.9° |
| C20 | C02 | C03 | 120.8° | 120.2° |
| C02 | C20 | H201 | 120.3° | 120.0° |
| C19 | C07 | C08 | 118.7° | 120.1° |
| C19 | C07 | C06 | 119.7° | 119.8° |
| C07 | C19 | H191 | 119.8° | 120.0° |
| O01 | C02 | C03 | 117.6° | 119.9° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C02 | C03 | C06 | 120.0° | 120.0° |
| C02 | C03 | O04 | 115.9° | 120.0° |
| C08 | C07 | C06 | 121.5° | 120.1° |
| C07 | C08 | C09 | 118.0° | 120.0° |
| C07 | C08 | H081 | 121.0° | 120.0° |
| C07 | C06 | C03 | 119.7° | 119.8° |
| C07 | C06 | H061 | 120.2° | 120.1° |
| C06 | C03 | O04 | 124.1° | 120.0° |
| C03 | C06 | H061 | 120.1° | 120.1° |
| C03 | O04 | C05 | 117.3° | 117.0° |
| C08 | C09 | C10 | 122.8° | 120.0° |
| C09 | C08 | H081 | 121.0° | 119.9° |
| C08 | C09 | H091 | 118.6° | 119.9° |
| C17 | O16 | C15 | 113.6° | 117.0° |
| O16 | C17 | H173 | 109.5° | 109.5° |
| O16 | C17 | H171 | 109.5° | 109.5° |
| O16 | C17 | H172 | 109.5° | 109.5° |
| O16 | C15 | C18 | 120.3° | 120.0° |
| O16 | C15 | C13 | 119.8° | 120.0° |
| C15 | C18 | C10 | 119.8° | 119.8° |
| C18 | C15 | C13 | 119.9° | 120.0° |
| C15 | C18 | H181 | 120.1° | 120.1° |
| C18 | C10 | C09 | 121.3° | 120.1° |
| C18 | C10 | C11 | 119.9° | 119.8° |
| C10 | C18 | H181 | 120.1° | 120.1° |
| O04 | C05 | H053 | 109.5° | 109.5° |
| O04 | C05 | H051 | 109.5° | 109.5° |
| O04 | C05 | H052 | 109.5° | 109.5° |
| C09 | C10 | C11 | 118.7° | 120.1° |
| C10 | C09 | H091 | 118.6° | 120.0° |
| C15 | C13 | O14 | 120.5° | 119.9° |
| C15 | C13 | C12 | 120.1° | 120.2° |
| C10 | C11 | C12 | 120.2° | 120.0° |
| C10 | C11 | H111 | 119.9° | 120.0° |
| O14 | C13 | C12 | 119.4° | 119.9° |
| C13 | O14 | H141 | 109.5° | 114.1° |
| C13 | C12 | C11 | 120.0° | 120.2° |
| C13 | C12 | H121 | 120.0° | 120.0° |
| C12 | C11 | H111 | 119.9° | 120.0° |
| C11 | C12 | H121 | 119.9° | 119.9° |
| H053 | C05 | H051 | 109.5° | 109.5° |
| H053 | C05 | H052 | 109.4° | 109.4° |
| H051 | C05 | H052 | 109.5° | 109.4° |
| H173 | C17 | H171 | 109.4° | 109.5° |
| H173 | C17 | H172 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C02 | H201 | 180.0° | 180.0° |
| C20 | C19 | C07 | H191 | 180.0° | 180.0° |
| C19 | C20 | C02 | O01 | 179.8° | 179.8° |
| C19 | C20 | C02 | C03 | 0.0° | 0.0° |
| C20 | C19 | C07 | C08 | 178.9° | 179.9° |
| C20 | C19 | C07 | C06 | 2.3° | 0.0° |
| C02 | C20 | C19 | C07 | 1.3° | 0.0° |
| C20 | C02 | O01 | C03 | 179.8° | 179.8° |
| C20 | C02 | C03 | C06 | 0.2° | 0.0° |
| C20 | C02 | C03 | O04 | 179.7° | 180.0° |
| C02 | C20 | C19 | H191 | 178.7° | 180.0° |
| C20 | C02 | O01 | H011 | 180.0° | 90.3° |
| C19 | C07 | C08 | C06 | 176.6° | 179.9° |
| C19 | C07 | C06 | C03 | 2.1° | 0.0° |
| C19 | C07 | C08 | C09 | 147.0° | 0.1° |
| C19 | C07 | C06 | H061 | 177.9° | 180.0° |
| C19 | C07 | C08 | H081 | 33.0° | 180.0° |
| C07 | C19 | C20 | H201 | 178.7° | 179.9° |
| O01 | C02 | C03 | C06 | 179.6° | 179.8° |
| O01 | C02 | C03 | O04 | 0.1° | 0.3° |
| O01 | C02 | C20 | H201 | 0.2° | 0.2° |
| C02 | C03 | C06 | C07 | 0.8° | 0.0° |
| C02 | C03 | C06 | O04 | 179.4° | 180.0° |
| C02 | C03 | O04 | C05 | 163.1° | 180.0° |
| C02 | C03 | C06 | H061 | 179.2° | 180.0° |
| C03 | C02 | C20 | H201 | 180.0° | 180.0° |
| C03 | C02 | O01 | H011 | 0.2° | 90.0° |
| C08 | C07 | C06 | C03 | 178.6° | 179.9° |
| C07 | C08 | C09 | H081 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 178.0° | 180.0° |
| C08 | C07 | C06 | H061 | 1.4° | 0.0° |
| C07 | C08 | C09 | H091 | 2.0° | 0.0° |
| C08 | C07 | C19 | H191 | 1.1° | 0.0° |
| C07 | C06 | C03 | H061 | 180.0° | 180.0° |
| C07 | C06 | C03 | O04 | 178.6° | 180.0° |
| C06 | C07 | C08 | C09 | 29.5° | 180.0° |
| C06 | C07 | C08 | H081 | 150.5° | 0.0° |
| C06 | C07 | C19 | H191 | 177.7° | 180.0° |
| C06 | C03 | O04 | C05 | 17.5° | 0.0° |
| C03 | O04 | C05 | H053 | 180.0° | 180.0° |
| C03 | O04 | C05 | H051 | 60.0° | 60.0° |
| C03 | O04 | C05 | H052 | 60.0° | 60.0° |
| O04 | C03 | C06 | H061 | 1.4° | 0.0° |
| C08 | C09 | C10 | C18 | 28.9° | 179.7° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 154.7° | 0.0° |
| C17 | O16 | C15 | C18 | 116.3° | 0.3° |
| C17 | O16 | C15 | C13 | 63.5° | 180.0° |
| O16 | C17 | H173 | H171 | 120.0° | 120.1° |
| O16 | C17 | H173 | H172 | 120.0° | 120.0° |
| O16 | C17 | H171 | H172 | 120.0° | 120.0° |
| O16 | C15 | C18 | C13 | 179.8° | 179.7° |
| O16 | C15 | C18 | C10 | 178.8° | 179.7° |
| O16 | C15 | C13 | O14 | 0.2° | 0.0° |
| O16 | C15 | C13 | C12 | 179.9° | 180.0° |
| C15 | O16 | C17 | H173 | 180.0° | 180.0° |
| C15 | O16 | C17 | H171 | 60.0° | 60.0° |
| C15 | O16 | C17 | H172 | 60.0° | 60.0° |
| O16 | C15 | C18 | H181 | 1.2° | 0.4° |
| C15 | C18 | C10 | H181 | 180.0° | 179.3° |
| C15 | C18 | C10 | C09 | 178.9° | 179.7° |
| C15 | C18 | C10 | C11 | 2.5° | 0.6° |
| C18 | C15 | C13 | O14 | 180.0° | 179.7° |
| C18 | C15 | C13 | C12 | 0.1° | 0.3° |
| C18 | C10 | C09 | C11 | 176.4° | 179.7° |
| C10 | C18 | C15 | C13 | 1.4° | 0.6° |
| C18 | C10 | C11 | C12 | 2.4° | 0.3° |
| C18 | C10 | C11 | H111 | 177.6° | 179.8° |
| C18 | C10 | C09 | H091 | 151.1° | 0.3° |
| O04 | C05 | H053 | H051 | 120.0° | 120.0° |
| O04 | C05 | H053 | H052 | 120.0° | 120.0° |
| O04 | C05 | H051 | H052 | 120.0° | 120.0° |
| C09 | C10 | C11 | C12 | 178.9° | 180.0° |
| C09 | C10 | C11 | H111 | 1.1° | 0.0° |
| C10 | C09 | C08 | H081 | 2.0° | 0.0° |
| C09 | C10 | C18 | H181 | 1.1° | 0.3° |
| C15 | C13 | O14 | C12 | 179.9° | 180.0° |
| C15 | C13 | C12 | C11 | 0.0° | 0.0° |
| C15 | C13 | C12 | H121 | 180.0° | 180.0° |
| C13 | C15 | C18 | H181 | 178.6° | 180.0° |
| C15 | C13 | O14 | H141 | 180.0° | 90.0° |
| C10 | C11 | C12 | C13 | 1.2° | 0.0° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | H121 | 178.8° | 180.0° |
| C11 | C10 | C09 | H091 | 25.3° | 180.0° |
| C11 | C10 | C18 | H181 | 177.5° | 179.9° |
| O14 | C13 | C12 | C11 | 179.9° | 180.0° |
| O14 | C13 | C12 | H121 | 0.1° | 0.0° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | H111 | 178.9° | 180.0° |
| C12 | C13 | O14 | H141 | 0.1° | 90.0° |
| H111 | C11 | C12 | H121 | 1.1° | 0.1° |
| H053 | C05 | H051 | H052 | 120.0° | 119.9° |
| H081 | C08 | C09 | H091 | 178.0° | 180.0° |
| H173 | C17 | H171 | H172 | 120.0° | 119.9° |
| H191 | C19 | C20 | H201 | 1.3° | 0.0° |
