PV9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.36Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.36Å | 1.41Å | Aromatic |
| C07 | C06 | doub | 1.41Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.43Å | Aromatic |
| C06 | C11 | sing | 1.42Å | 1.38Å | Aromatic |
| C06 | N05 | sing | 1.34Å | 1.34Å | Aromatic |
| C11 | C12 | sing | 1.42Å | 1.44Å | Aromatic |
| N05 | C04 | doub | 1.31Å | 1.32Å | Aromatic |
| C12 | C25 | sing | 1.48Å | 1.54Å | |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C04 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
| C01 | C03 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.53Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | F31 | sing | 1.35Å | 1.36Å | |
| O21 | C20 | doub | 1.21Å | 1.29Å | |
| C14 | C15 | doub | 1.33Å | 1.34Å | |
| C15 | C16 | sing | 1.51Å | 1.56Å | |
| C20 | O22 | sing | 1.34Å | 1.29Å | |
| C20 | C19 | sing | 1.51Å | 1.56Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C18 | O23 | sing | 1.43Å | 1.39Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | O24 | sing | 1.43Å | 1.41Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| O22 | H1 | sing | 0.97Å | 0.95Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å | |
| O24 | H241 | sing | 0.97Å | 0.95Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C07 | 119.9° | 121.0° |
| C08 | C09 | C10 | 119.8° | 120.8° |
| C09 | C08 | H081 | 120.0° | 119.5° |
| C08 | C09 | H091 | 120.1° | 119.6° |
| C08 | C07 | C06 | 120.0° | 119.8° |
| C08 | C07 | H071 | 120.0° | 120.1° |
| C07 | C08 | H081 | 120.0° | 119.4° |
| C09 | C10 | C11 | 120.7° | 119.6° |
| C09 | C10 | H101 | 119.7° | 120.2° |
| C10 | C09 | H091 | 120.1° | 119.6° |
| C07 | C06 | C11 | 121.3° | 119.0° |
| C07 | C06 | N05 | 120.1° | 120.8° |
| C06 | C07 | H071 | 120.0° | 120.1° |
| C10 | C11 | C06 | 118.2° | 119.8° |
| C10 | C11 | C12 | 122.6° | 121.2° |
| C11 | C10 | H101 | 119.7° | 120.2° |
| C11 | C06 | N05 | 118.6° | 120.2° |
| C06 | C11 | C12 | 119.2° | 119.0° |
| C06 | N05 | C04 | 123.5° | 122.1° |
| C11 | C12 | C25 | 120.6° | 121.1° |
| C11 | C12 | C13 | 119.2° | 117.7° |
| N05 | C04 | C13 | 121.8° | 121.7° |
| N05 | C04 | C03 | 119.2° | 119.2° |
| C25 | C12 | C13 | 120.2° | 121.1° |
| C12 | C25 | C26 | 117.5° | 120.1° |
| C12 | C25 | C30 | 120.6° | 120.1° |
| C12 | C13 | C04 | 117.8° | 119.3° |
| C12 | C13 | C14 | 121.4° | 120.3° |
| C13 | C04 | C03 | 119.1° | 119.1° |
| C04 | C13 | C14 | 120.8° | 120.4° |
| C04 | C03 | C01 | 116.8° | 117.5° |
| C04 | C03 | C02 | 138.1° | 117.5° |
| C04 | C03 | H031 | 109.8° | 115.6° |
| C26 | C25 | C30 | 121.9° | 119.7° |
| C25 | C26 | C27 | 119.4° | 119.9° |
| C25 | C26 | H261 | 120.3° | 120.0° |
| C25 | C30 | C29 | 118.8° | 119.9° |
| C25 | C30 | H301 | 120.6° | 120.1° |
| C03 | C01 | C02 | 59.5° | 60.0° |
| C01 | C03 | C02 | 60.1° | 60.0° |
| C03 | C01 | H011 | 120.1° | 117.5° |
| C03 | C01 | H012 | 120.1° | 117.5° |
| C01 | C03 | H031 | 109.7° | 117.5° |
| C01 | C02 | C03 | 60.4° | 60.0° |
| C02 | C01 | H011 | 120.1° | 117.5° |
| C02 | C01 | H012 | 120.1° | 117.5° |
| C01 | C02 | H022 | 119.9° | 117.5° |
| C01 | C02 | H021 | 119.9° | 117.5° |
| C26 | C27 | C28 | 118.9° | 120.1° |
| C27 | C26 | H261 | 120.3° | 120.1° |
| C26 | C27 | H271 | 120.5° | 119.9° |
| C13 | C14 | C15 | 119.9° | 120.0° |
| C13 | C14 | H141 | 120.0° | 120.0° |
| C30 | C29 | C28 | 118.9° | 120.1° |
| C30 | C29 | H291 | 120.6° | 120.0° |
| C29 | C30 | H301 | 120.6° | 120.0° |
| C27 | C28 | C29 | 122.2° | 120.2° |
| C27 | C28 | F31 | 117.2° | 119.9° |
| C28 | C27 | H271 | 120.6° | 119.9° |
| C03 | C02 | H022 | 119.9° | 117.4° |
| C03 | C02 | H021 | 119.9° | 117.5° |
| C02 | C03 | H031 | 109.8° | 117.5° |
| C29 | C28 | F31 | 120.6° | 119.9° |
| C28 | C29 | H291 | 120.6° | 119.9° |
| O21 | C20 | O22 | 121.6° | 120.0° |
| O21 | C20 | C19 | 118.6° | 120.0° |
| C14 | C15 | C16 | 117.7° | 120.0° |
| C15 | C14 | H141 | 120.1° | 120.0° |
| C14 | C15 | H151 | 121.1° | 120.0° |
| C15 | C16 | C17 | 113.0° | 109.5° |
| C15 | C16 | O24 | 104.8° | 109.5° |
| C16 | C15 | H151 | 121.1° | 120.0° |
| C15 | C16 | H161 | 108.3° | 109.5° |
| O22 | C20 | C19 | 119.8° | 120.0° |
| C20 | O22 | H1 | 109.5° | 117.0° |
| C20 | C19 | C18 | 113.3° | 109.5° |
| C20 | C19 | H192 | 108.5° | 109.4° |
| C20 | C19 | H191 | 108.5° | 109.5° |
| C19 | C18 | C17 | 115.9° | 109.5° |
| C19 | C18 | O23 | 104.3° | 109.5° |
| C19 | C18 | H181 | 109.4° | 109.5° |
| C18 | C19 | H192 | 108.5° | 109.5° |
| C18 | C19 | H191 | 108.5° | 109.5° |
| C17 | C18 | O23 | 106.0° | 109.4° |
| C18 | C17 | C16 | 112.0° | 109.5° |
| C18 | C17 | H172 | 108.8° | 109.5° |
| C18 | C17 | H171 | 108.8° | 109.5° |
| C17 | C18 | H181 | 109.4° | 109.5° |
| O23 | C18 | H181 | 111.7° | 109.4° |
| C18 | O23 | H231 | 109.5° | 114.0° |
| C17 | C16 | O24 | 112.1° | 109.5° |
| C17 | C16 | H161 | 108.3° | 109.4° |
| C16 | C17 | H172 | 108.8° | 109.5° |
| C16 | C17 | H171 | 108.8° | 109.5° |
| O24 | C16 | H161 | 110.3° | 109.5° |
| C16 | O24 | H241 | 109.5° | 114.0° |
| H011 | C01 | H012 | 109.5° | 115.6° |
| H022 | C02 | H021 | 109.5° | 115.6° |
| H172 | C17 | H171 | 109.5° | 109.4° |
| H192 | C19 | H191 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C07 | H081 | 180.0° | 179.5° |
| C08 | C09 | C10 | H091 | 180.0° | 179.6° |
| C09 | C08 | C07 | C06 | 0.2° | 0.2° |
| C08 | C09 | C10 | C11 | 0.3° | 0.5° |
| C08 | C09 | C10 | H101 | 179.7° | 179.7° |
| C09 | C08 | C07 | H071 | 179.8° | 179.7° |
| C07 | C08 | C09 | C10 | 0.0° | 0.5° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C08 | C07 | C06 | C11 | 0.1° | 0.0° |
| C08 | C07 | C06 | N05 | 179.6° | 180.0° |
| C07 | C08 | C09 | H091 | 180.0° | 180.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.8° |
| C09 | C10 | C11 | C06 | 0.4° | 0.3° |
| C09 | C10 | C11 | C12 | 179.5° | 179.8° |
| C10 | C09 | C08 | H081 | 180.0° | 179.9° |
| C07 | C06 | C11 | C10 | 0.2° | 0.0° |
| C07 | C06 | C11 | N05 | 179.5° | 180.0° |
| C07 | C06 | C11 | C12 | 179.3° | 180.0° |
| C07 | C06 | N05 | C04 | 179.5° | 180.0° |
| C06 | C07 | C08 | H081 | 179.8° | 179.7° |
| C10 | C11 | C06 | C12 | 179.1° | 179.9° |
| C10 | C11 | C06 | N05 | 179.3° | 179.9° |
| C10 | C11 | C12 | C25 | 0.3° | 0.0° |
| C10 | C11 | C12 | C13 | 179.2° | 180.0° |
| C11 | C10 | C09 | H091 | 179.7° | 179.9° |
| C11 | C06 | N05 | C04 | 0.1° | 0.0° |
| C06 | C11 | C12 | C25 | 179.4° | 180.0° |
| C06 | C11 | C12 | C13 | 0.1° | 0.0° |
| C06 | C11 | C10 | H101 | 179.6° | 180.0° |
| C11 | C06 | C07 | H071 | 179.9° | 180.0° |
| N05 | C06 | C11 | C12 | 0.2° | 0.0° |
| C06 | N05 | C04 | C13 | 0.4° | 0.0° |
| C06 | N05 | C04 | C03 | 180.0° | 179.9° |
| N05 | C06 | C07 | H071 | 0.4° | 0.1° |
| C11 | C12 | C25 | C13 | 179.5° | 180.0° |
| C11 | C12 | C13 | C04 | 0.1° | 0.0° |
| C11 | C12 | C25 | C26 | 72.9° | 67.7° |
| C11 | C12 | C25 | C30 | 105.1° | 112.6° |
| C11 | C12 | C13 | C14 | 179.5° | 180.0° |
| C12 | C11 | C10 | H101 | 0.5° | 0.0° |
| N05 | C04 | C13 | C12 | 0.4° | 0.0° |
| N05 | C04 | C13 | C03 | 179.7° | 179.9° |
| N05 | C04 | C03 | C01 | 4.3° | 59.9° |
| N05 | C04 | C13 | C14 | 179.3° | 180.0° |
| N05 | C04 | C03 | C02 | 78.5° | 8.6° |
| N05 | C04 | C03 | H031 | 121.3° | 154.3° |
| C25 | C12 | C13 | C04 | 179.6° | 180.0° |
| C12 | C25 | C26 | C30 | 178.0° | 179.8° |
| C12 | C25 | C26 | C27 | 179.2° | 180.0° |
| C25 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C25 | C30 | C29 | 178.5° | 179.7° |
| C12 | C25 | C26 | H261 | 0.7° | 0.0° |
| C12 | C25 | C30 | H301 | 1.6° | 0.0° |
| C12 | C13 | C04 | C14 | 179.7° | 180.0° |
| C12 | C13 | C04 | C03 | 180.0° | 180.0° |
| C13 | C12 | C25 | C26 | 107.6° | 112.3° |
| C13 | C12 | C25 | C30 | 74.4° | 67.4° |
| C12 | C13 | C14 | C15 | 113.8° | 57.4° |
| C12 | C13 | C14 | H141 | 66.2° | 122.6° |
| C13 | C04 | C03 | C01 | 175.3° | 120.0° |
| C13 | C04 | C03 | C02 | 101.2° | 171.4° |
| C04 | C13 | C14 | C15 | 65.8° | 122.6° |
| C04 | C13 | C14 | H141 | 114.2° | 57.4° |
| C13 | C04 | C03 | H031 | 59.0° | 25.7° |
| C04 | C03 | C01 | C02 | 132.2° | 107.5° |
| C04 | C03 | C01 | H031 | 125.7° | 145.1° |
| C03 | C04 | C13 | C14 | 0.4° | 0.1° |
| C04 | C03 | C02 | H031 | 160.2° | 145.0° |
| C04 | C03 | C01 | H011 | 118.5° | 0.0° |
| C04 | C03 | C01 | H012 | 22.8° | 145.0° |
| C04 | C03 | C02 | H022 | 152.5° | 145.0° |
| C04 | C03 | C02 | H021 | 11.7° | 0.0° |
| C25 | C26 | C27 | H261 | 180.0° | 180.0° |
| C26 | C25 | C30 | C29 | 0.6° | 0.6° |
| C25 | C26 | C27 | C28 | 0.9° | 0.0° |
| C25 | C26 | C27 | H271 | 179.0° | 180.0° |
| C26 | C25 | C30 | H301 | 179.5° | 179.8° |
| C30 | C25 | C26 | C27 | 1.3° | 0.2° |
| C25 | C30 | C29 | H301 | 180.0° | 179.6° |
| C25 | C30 | C29 | C28 | 0.4° | 0.7° |
| C30 | C25 | C26 | H261 | 178.7° | 179.8° |
| C25 | C30 | C29 | H291 | 179.6° | 179.7° |
| C03 | C01 | C02 | H011 | 109.3° | 107.5° |
| C03 | C01 | C02 | H012 | 109.3° | 107.5° |
| C01 | C03 | C02 | H031 | 101.8° | 107.5° |
| C03 | C01 | H011 | H012 | 145.0° | 145.7° |
| C03 | C01 | C02 | H022 | 109.6° | 107.4° |
| C03 | C01 | C02 | H021 | 109.6° | 107.4° |
| C02 | C01 | H011 | H012 | 145.0° | 145.7° |
| C01 | C02 | H022 | H021 | 144.5° | 145.8° |
| C26 | C27 | C28 | H271 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.1° |
| C26 | C27 | C28 | F31 | 179.7° | 180.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 179.4° | 175.0° |
| C13 | C14 | C15 | H151 | 0.6° | 5.0° |
| C30 | C29 | C28 | C27 | 0.7° | 0.4° |
| C30 | C29 | C28 | H291 | 180.0° | 179.6° |
| C30 | C29 | C28 | F31 | 179.7° | 179.7° |
| C27 | C28 | C29 | F31 | 179.6° | 179.9° |
| C28 | C27 | C26 | H261 | 179.0° | 180.0° |
| C27 | C28 | C29 | H291 | 179.3° | 180.0° |
| C03 | C02 | H022 | H021 | 144.5° | 145.6° |
| C29 | C28 | C27 | H271 | 180.0° | 180.0° |
| C28 | C29 | C30 | H301 | 179.5° | 179.7° |
| F31 | C28 | C27 | H271 | 0.4° | 0.1° |
| F31 | C28 | C29 | H291 | 0.3° | 0.1° |
| O21 | C20 | O22 | C19 | 180.0° | 180.0° |
| O21 | C20 | C19 | C18 | 49.5° | 0.0° |
| O21 | C20 | C19 | H192 | 71.1° | 120.0° |
| O21 | C20 | C19 | H191 | 170.1° | 120.0° |
| O21 | C20 | O22 | H1 | 0.0° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 138.7° | 125.0° |
| C14 | C15 | C16 | O24 | 99.0° | 5.0° |
| C14 | C15 | C16 | H161 | 18.7° | 115.0° |
| C15 | C16 | C17 | C18 | 62.9° | 175.0° |
| C15 | C16 | C17 | O24 | 118.1° | 120.0° |
| C15 | C16 | C17 | H161 | 120.0° | 120.0° |
| C15 | C16 | O24 | H161 | 116.3° | 120.0° |
| C16 | C15 | C14 | H141 | 0.6° | 5.0° |
| C15 | C16 | C17 | H172 | 57.5° | 65.0° |
| C15 | C16 | C17 | H171 | 176.7° | 55.0° |
| C15 | C16 | O24 | H241 | 180.0° | 60.0° |
| O22 | C20 | C19 | C18 | 130.5° | 180.0° |
| O22 | C20 | C19 | H192 | 108.9° | 60.0° |
| O22 | C20 | C19 | H191 | 9.9° | 59.9° |
| C20 | C19 | C18 | H192 | 120.6° | 120.0° |
| C20 | C19 | C18 | H191 | 120.6° | 120.0° |
| C20 | C19 | C18 | C17 | 175.9° | 175.0° |
| C20 | C19 | C18 | O23 | 68.0° | 65.0° |
| C20 | C19 | C18 | H181 | 51.6° | 55.0° |
| C20 | C19 | H192 | H191 | 118.2° | 119.9° |
| C19 | C20 | O22 | H1 | 180.0° | 180.0° |
| C19 | C18 | C17 | O23 | 115.2° | 120.0° |
| C19 | C18 | C17 | H181 | 124.3° | 120.1° |
| C19 | C18 | O23 | H181 | 118.1° | 120.0° |
| C19 | C18 | C17 | C16 | 164.5° | 175.0° |
| C19 | C18 | C17 | H172 | 44.1° | 65.0° |
| C19 | C18 | C17 | H171 | 75.2° | 55.0° |
| C18 | C19 | H192 | H191 | 118.3° | 120.0° |
| C19 | C18 | O23 | H231 | 180.0° | 60.0° |
| C17 | C18 | O23 | H181 | 119.1° | 120.0° |
| C18 | C17 | C16 | H172 | 120.4° | 120.1° |
| C18 | C17 | C16 | H171 | 120.4° | 120.0° |
| C18 | C17 | C16 | O24 | 178.9° | 65.0° |
| C18 | C17 | C16 | H161 | 57.1° | 55.0° |
| C18 | C17 | H172 | H171 | 118.8° | 120.0° |
| C17 | C18 | C19 | H192 | 55.3° | 65.0° |
| C17 | C18 | C19 | H191 | 63.5° | 55.0° |
| C17 | C18 | O23 | H231 | 57.1° | 60.0° |
| O23 | C18 | C17 | C16 | 80.3° | 65.0° |
| O23 | C18 | C17 | H172 | 159.3° | 55.0° |
| O23 | C18 | C17 | H171 | 40.0° | 175.0° |
| O23 | C18 | C19 | H192 | 171.5° | 55.0° |
| O23 | C18 | C19 | H191 | 52.6° | 175.0° |
| C17 | C16 | O24 | H161 | 120.8° | 120.0° |
| C17 | C16 | C15 | H151 | 41.3° | 55.0° |
| C16 | C17 | H172 | H171 | 118.8° | 120.0° |
| C16 | C17 | C18 | H181 | 40.2° | 54.9° |
| C17 | C16 | O24 | H241 | 57.1° | 60.0° |
| O24 | C16 | C15 | H151 | 81.0° | 175.0° |
| O24 | C16 | C17 | H172 | 60.7° | 55.0° |
| O24 | C16 | C17 | H171 | 58.6° | 175.0° |
| H101 | C10 | C09 | H091 | 0.3° | 0.2° |
| H141 | C14 | C15 | H151 | 179.4° | 175.0° |
| H011 | C01 | C02 | H022 | 0.3° | 145.1° |
| H011 | C01 | C02 | H021 | 141.1° | 0.1° |
| H011 | C01 | C03 | H031 | 7.2° | 145.0° |
| H012 | C01 | C02 | H022 | 141.1° | 0.1° |
| H012 | C01 | C02 | H021 | 0.2° | 145.1° |
| H012 | C01 | C03 | H031 | 148.5° | 0.0° |
| H022 | C02 | C03 | H031 | 7.7° | 0.1° |
| H021 | C02 | C03 | H031 | 148.6° | 145.0° |
| H071 | C07 | C08 | H081 | 0.2° | 0.3° |
| H081 | C08 | C09 | H091 | 0.0° | 0.5° |
| H151 | C15 | C16 | H161 | 161.3° | 65.0° |
| H161 | C16 | C17 | H172 | 177.5° | 175.0° |
| H161 | C16 | C17 | H171 | 63.3° | 65.0° |
| H161 | C16 | O24 | H241 | 63.7° | 180.0° |
| H172 | C17 | C18 | H181 | 80.2° | 175.0° |
| H171 | C17 | C18 | H181 | 160.6° | 65.1° |
| H181 | C18 | C19 | H192 | 68.9° | 174.9° |
| H181 | C18 | C19 | H191 | 172.2° | 65.0° |
| H181 | C18 | O23 | H231 | 61.9° | 180.0° |
| H261 | C26 | C27 | H271 | 1.0° | 0.0° |
| H291 | C29 | C30 | H301 | 0.5° | 0.1° |
