5Z6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C26 | C23 | sing | 1.53Å | 1.51Å | |
| C25 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.52Å | |
| C7 | C6 | doub | 1.40Å | 1.37Å | Aromatic |
| C4 | C2 | sing | 1.53Å | 1.53Å | |
| O9 | C8 | doub | 1.22Å | 1.19Å | |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C2 | sing | 1.51Å | 1.54Å | |
| C8 | C10 | sing | 1.46Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | doub | 1.35Å | 1.48Å | |
| C11 | C12 | sing | 1.47Å | 1.54Å | |
| C12 | C20 | doub | 1.40Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.36Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.53Å | |
| C16 | O17 | doub | 1.21Å | 1.26Å | |
| C16 | O18 | sing | 1.35Å | 1.26Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C1 | H011 | sing | 1.09Å | 1.10Å | |
| C1 | H013 | sing | 1.09Å | 1.10Å | |
| C1 | H012 | sing | 1.09Å | 1.10Å | |
| C3 | H033 | sing | 1.09Å | 1.10Å | |
| C3 | H031 | sing | 1.09Å | 1.10Å | |
| C3 | H032 | sing | 1.09Å | 1.10Å | |
| C4 | H042 | sing | 1.09Å | 1.10Å | |
| C4 | H041 | sing | 1.09Å | 1.10Å | |
| C4 | H043 | sing | 1.09Å | 1.10Å | |
| C6 | H061 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| O18 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C26 | 114.9° | 109.5° |
| C24 | C23 | C25 | 107.5° | 109.5° |
| C24 | C23 | C22 | 110.9° | 109.5° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C26 | C23 | C25 | 108.7° | 109.5° |
| C26 | C23 | C22 | 109.7° | 109.5° |
| C23 | C26 | H261 | 109.5° | 109.5° |
| C23 | C26 | H263 | 109.5° | 109.5° |
| C23 | C26 | H262 | 109.4° | 109.5° |
| C25 | C23 | C22 | 104.5° | 109.5° |
| C23 | C25 | H253 | 109.5° | 109.5° |
| C23 | C25 | H251 | 109.5° | 109.5° |
| C23 | C25 | H252 | 109.4° | 109.4° |
| C23 | C22 | C21 | 116.7° | 119.9° |
| C23 | C22 | C27 | 121.3° | 119.9° |
| C21 | C22 | C27 | 122.0° | 120.1° |
| C22 | C21 | C7 | 118.5° | 119.9° |
| C22 | C21 | H211 | 120.8° | 120.0° |
| C22 | C27 | C5 | 119.1° | 120.3° |
| C22 | C27 | H271 | 120.4° | 119.8° |
| C21 | C7 | C8 | 118.0° | 120.2° |
| C21 | C7 | C6 | 119.9° | 119.7° |
| C7 | C21 | H211 | 120.8° | 120.1° |
| C27 | C5 | C6 | 118.6° | 120.2° |
| C27 | C5 | C2 | 122.6° | 119.9° |
| C5 | C27 | H271 | 120.4° | 119.9° |
| C8 | C7 | C6 | 122.1° | 120.2° |
| C7 | C8 | O9 | 121.6° | 120.0° |
| C7 | C8 | C10 | 118.3° | 120.0° |
| C7 | C6 | C5 | 121.9° | 119.9° |
| C7 | C6 | H061 | 119.1° | 120.0° |
| C4 | C2 | C5 | 109.3° | 109.5° |
| C4 | C2 | C1 | 108.6° | 109.5° |
| C4 | C2 | C3 | 109.7° | 109.5° |
| C2 | C4 | H042 | 109.5° | 109.5° |
| C2 | C4 | H041 | 109.4° | 109.5° |
| C2 | C4 | H043 | 109.4° | 109.5° |
| O9 | C8 | C10 | 119.8° | 120.0° |
| C6 | C5 | C2 | 118.7° | 119.9° |
| C5 | C6 | H061 | 119.1° | 120.1° |
| C5 | C2 | C1 | 112.1° | 109.4° |
| C5 | C2 | C3 | 109.9° | 109.5° |
| C8 | C10 | C11 | 108.3° | 120.0° |
| C8 | C10 | H101 | 125.9° | 120.0° |
| C1 | C2 | C3 | 107.2° | 109.4° |
| C2 | C1 | H011 | 109.5° | 109.5° |
| C2 | C1 | H013 | 109.5° | 109.4° |
| C2 | C1 | H012 | 109.5° | 109.5° |
| C2 | C3 | H033 | 109.5° | 109.5° |
| C2 | C3 | H031 | 109.5° | 109.5° |
| C2 | C3 | H032 | 109.5° | 109.5° |
| C10 | C11 | C12 | 117.9° | 120.0° |
| C11 | C10 | H101 | 125.8° | 119.9° |
| C10 | C11 | H111 | 121.1° | 119.9° |
| C11 | C12 | C20 | 114.8° | 120.1° |
| C11 | C12 | C13 | 123.4° | 120.0° |
| C12 | C11 | H111 | 121.0° | 120.0° |
| C20 | C12 | C13 | 121.8° | 119.9° |
| C12 | C20 | C19 | 119.6° | 120.0° |
| C12 | C20 | H201 | 120.2° | 120.0° |
| C12 | C13 | C14 | 118.9° | 119.9° |
| C12 | C13 | H131 | 120.6° | 120.0° |
| C20 | C19 | C15 | 118.1° | 120.1° |
| C19 | C20 | H201 | 120.2° | 120.0° |
| C20 | C19 | H191 | 121.0° | 120.0° |
| C13 | C14 | C15 | 118.5° | 120.1° |
| C14 | C13 | H131 | 120.6° | 120.0° |
| C13 | C14 | H141 | 120.7° | 119.9° |
| C19 | C15 | C14 | 123.0° | 120.0° |
| C19 | C15 | C16 | 118.2° | 120.0° |
| C15 | C19 | H191 | 121.0° | 119.9° |
| C14 | C15 | C16 | 118.7° | 119.9° |
| C15 | C14 | H141 | 120.7° | 120.0° |
| C15 | C16 | O17 | 118.7° | 120.0° |
| C15 | C16 | O18 | 116.9° | 120.0° |
| O17 | C16 | O18 | 124.2° | 120.0° |
| C16 | O18 | H3 | 109.5° | 117.0° |
| H242 | C24 | H243 | 109.5° | 109.4° |
| H242 | C24 | H241 | 109.5° | 109.4° |
| H243 | C24 | H241 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H263 | C26 | H262 | 109.5° | 109.5° |
| H011 | C1 | H013 | 109.5° | 109.6° |
| H011 | C1 | H012 | 109.4° | 109.4° |
| H013 | C1 | H012 | 109.5° | 109.4° |
| H033 | C3 | H031 | 109.5° | 109.5° |
| H033 | C3 | H032 | 109.5° | 109.5° |
| H031 | C3 | H032 | 109.5° | 109.4° |
| H042 | C4 | H041 | 109.5° | 109.4° |
| H042 | C4 | H043 | 109.5° | 109.5° |
| H041 | C4 | H043 | 109.5° | 109.5° |
| H253 | C25 | H251 | 109.5° | 109.5° |
| H253 | C25 | H252 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C26 | C25 | 120.5° | 120.0° |
| C24 | C23 | C26 | C22 | 125.8° | 120.0° |
| C24 | C23 | C25 | C22 | 117.9° | 120.0° |
| C24 | C23 | C22 | C21 | 27.9° | 0.0° |
| C24 | C23 | C22 | C27 | 154.4° | 179.9° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| C23 | C24 | H242 | H241 | 120.0° | 120.0° |
| C23 | C24 | H243 | H241 | 120.0° | 120.1° |
| C24 | C23 | C26 | H261 | 180.0° | 59.9° |
| C24 | C23 | C26 | H263 | 60.0° | 180.0° |
| C24 | C23 | C26 | H262 | 60.0° | 60.0° |
| C24 | C23 | C25 | H253 | 180.0° | 60.0° |
| C24 | C23 | C25 | H251 | 60.0° | 180.0° |
| C24 | C23 | C25 | H252 | 60.0° | 60.0° |
| C26 | C23 | C25 | C22 | 117.1° | 120.0° |
| C26 | C23 | C22 | C21 | 155.9° | 119.9° |
| C26 | C23 | C22 | C27 | 26.4° | 60.0° |
| C26 | C23 | C24 | H242 | 180.0° | 60.1° |
| C26 | C23 | C24 | H243 | 60.0° | 180.0° |
| C26 | C23 | C24 | H241 | 60.0° | 59.9° |
| C23 | C26 | H261 | H263 | 120.0° | 120.1° |
| C23 | C26 | H261 | H262 | 120.0° | 120.0° |
| C23 | C26 | H263 | H262 | 120.0° | 120.0° |
| C26 | C23 | C25 | H253 | 55.1° | 60.0° |
| C26 | C23 | C25 | H251 | 64.9° | 60.0° |
| C26 | C23 | C25 | H252 | 175.0° | 180.0° |
| C25 | C23 | C22 | C21 | 87.7° | 120.1° |
| C25 | C23 | C22 | C27 | 90.1° | 60.0° |
| C25 | C23 | C24 | H242 | 58.8° | 60.0° |
| C25 | C23 | C24 | H243 | 61.1° | 60.0° |
| C25 | C23 | C24 | H241 | 178.9° | 180.0° |
| C25 | C23 | C26 | H261 | 59.5° | 180.0° |
| C25 | C23 | C26 | H263 | 179.5° | 60.0° |
| C25 | C23 | C26 | H262 | 60.5° | 60.1° |
| C23 | C25 | H253 | H251 | 120.0° | 120.0° |
| C23 | C25 | H253 | H252 | 120.0° | 120.0° |
| C23 | C25 | H251 | H252 | 120.0° | 119.9° |
| C23 | C22 | C21 | C27 | 177.7° | 179.9° |
| C23 | C22 | C21 | C7 | 178.2° | 180.0° |
| C23 | C22 | C27 | C5 | 176.8° | 180.0° |
| C23 | C22 | C21 | H211 | 1.8° | 0.2° |
| C22 | C23 | C24 | H242 | 54.8° | 180.0° |
| C22 | C23 | C24 | H243 | 174.8° | 60.0° |
| C22 | C23 | C24 | H241 | 65.2° | 60.0° |
| C22 | C23 | C26 | H261 | 54.2° | 60.0° |
| C22 | C23 | C26 | H263 | 65.8° | 60.0° |
| C22 | C23 | C26 | H262 | 174.2° | 179.9° |
| C22 | C23 | C25 | H253 | 62.1° | 180.0° |
| C22 | C23 | C25 | H251 | 177.9° | 60.0° |
| C22 | C23 | C25 | H252 | 57.9° | 60.0° |
| C23 | C22 | C27 | H271 | 3.2° | 0.0° |
| C22 | C21 | C7 | H211 | 180.0° | 179.8° |
| C21 | C22 | C27 | C5 | 0.8° | 0.1° |
| C22 | C21 | C7 | C8 | 178.8° | 179.8° |
| C22 | C21 | C7 | C6 | 1.1° | 0.2° |
| C21 | C22 | C27 | H271 | 179.2° | 179.9° |
| C27 | C22 | C21 | C7 | 0.5° | 0.1° |
| C22 | C27 | C5 | H271 | 180.0° | 179.9° |
| C22 | C27 | C5 | C6 | 1.6° | 0.1° |
| C22 | C27 | C5 | C2 | 178.4° | 179.7° |
| C27 | C22 | C21 | H211 | 179.5° | 179.7° |
| C21 | C7 | C8 | C6 | 177.7° | 180.0° |
| C21 | C7 | C8 | O9 | 20.8° | 0.0° |
| C21 | C7 | C6 | C5 | 0.4° | 0.5° |
| C21 | C7 | C8 | C10 | 153.3° | 180.0° |
| C21 | C7 | C6 | H061 | 179.6° | 179.5° |
| C27 | C5 | C6 | C7 | 1.0° | 0.5° |
| C27 | C5 | C2 | C4 | 7.0° | 59.5° |
| C27 | C5 | C6 | C2 | 176.9° | 179.6° |
| C27 | C5 | C2 | C1 | 113.5° | 179.6° |
| C27 | C5 | C2 | C3 | 127.5° | 60.5° |
| C27 | C5 | C6 | H061 | 179.1° | 179.5° |
| C7 | C8 | O9 | C10 | 174.0° | 180.0° |
| C8 | C7 | C6 | C5 | 178.0° | 179.5° |
| C7 | C8 | C10 | C11 | 158.6° | 180.0° |
| C7 | C8 | C10 | H101 | 21.4° | 0.3° |
| C8 | C7 | C21 | H211 | 1.2° | 0.0° |
| C8 | C7 | C6 | H061 | 2.0° | 0.5° |
| C6 | C7 | C8 | O9 | 161.5° | 180.0° |
| C7 | C6 | C5 | H061 | 180.0° | 180.0° |
| C7 | C6 | C5 | C2 | 177.9° | 180.0° |
| C6 | C7 | C8 | C10 | 24.3° | 0.0° |
| C6 | C7 | C21 | H211 | 178.9° | 180.0° |
| C4 | C2 | C5 | C6 | 169.8° | 120.0° |
| C4 | C2 | C5 | C1 | 120.5° | 120.0° |
| C4 | C2 | C5 | C3 | 120.5° | 120.0° |
| C4 | C2 | C1 | C3 | 118.5° | 120.0° |
| C4 | C2 | C1 | H011 | 180.0° | 180.0° |
| C4 | C2 | C1 | H013 | 60.0° | 60.0° |
| C4 | C2 | C1 | H012 | 60.0° | 60.0° |
| C4 | C2 | C3 | H033 | 180.0° | 59.9° |
| C4 | C2 | C3 | H031 | 60.0° | 60.1° |
| C4 | C2 | C3 | H032 | 60.0° | 180.0° |
| C2 | C4 | H042 | H041 | 120.0° | 120.0° |
| C2 | C4 | H042 | H043 | 120.0° | 120.0° |
| C2 | C4 | H041 | H043 | 120.0° | 120.0° |
| O9 | C8 | C10 | C11 | 27.2° | 0.0° |
| O9 | C8 | C10 | H101 | 152.8° | 179.7° |
| C6 | C5 | C2 | C1 | 69.7° | 0.0° |
| C6 | C5 | C2 | C3 | 49.3° | 120.0° |
| C6 | C5 | C27 | H271 | 178.4° | 179.8° |
| C5 | C2 | C1 | C3 | 120.6° | 120.0° |
| C5 | C2 | C1 | H011 | 59.1° | 60.0° |
| C5 | C2 | C1 | H013 | 179.1° | 60.1° |
| C5 | C2 | C1 | H012 | 60.9° | 180.0° |
| C5 | C2 | C3 | H033 | 59.8° | 180.0° |
| C5 | C2 | C3 | H031 | 60.2° | 60.0° |
| C5 | C2 | C3 | H032 | 179.8° | 59.9° |
| C5 | C2 | C4 | H042 | 180.0° | 60.0° |
| C5 | C2 | C4 | H041 | 60.0° | 60.0° |
| C5 | C2 | C4 | H043 | 60.0° | 180.0° |
| C2 | C5 | C6 | H061 | 2.1° | 0.0° |
| C2 | C5 | C27 | H271 | 1.6° | 0.2° |
| C8 | C10 | C11 | H101 | 180.0° | 179.7° |
| C8 | C10 | C11 | C12 | 177.0° | 179.7° |
| C8 | C10 | C11 | H111 | 3.1° | 0.3° |
| C2 | C1 | H011 | H013 | 120.0° | 120.0° |
| C2 | C1 | H011 | H012 | 120.0° | 120.0° |
| C2 | C1 | H013 | H012 | 120.0° | 119.9° |
| C1 | C2 | C3 | H033 | 62.2° | 60.1° |
| C1 | C2 | C3 | H031 | 177.8° | 179.9° |
| C1 | C2 | C3 | H032 | 57.8° | 60.0° |
| C1 | C2 | C4 | H042 | 57.4° | 60.0° |
| C1 | C2 | C4 | H041 | 177.4° | 180.0° |
| C1 | C2 | C4 | H043 | 62.6° | 60.0° |
| C3 | C2 | C1 | H011 | 61.5° | 60.0° |
| C3 | C2 | C1 | H013 | 58.5° | 179.9° |
| C3 | C2 | C1 | H012 | 178.5° | 60.0° |
| C2 | C3 | H033 | H031 | 120.0° | 120.0° |
| C2 | C3 | H033 | H032 | 120.0° | 120.1° |
| C2 | C3 | H031 | H032 | 120.0° | 120.0° |
| C3 | C2 | C4 | H042 | 59.5° | 180.0° |
| C3 | C2 | C4 | H041 | 60.5° | 60.1° |
| C3 | C2 | C4 | H043 | 179.5° | 60.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C20 | 173.3° | 180.0° |
| C10 | C11 | C12 | C13 | 6.9° | 0.0° |
| C11 | C12 | C20 | C13 | 179.9° | 180.0° |
| C11 | C12 | C20 | C19 | 177.3° | 179.5° |
| C11 | C12 | C13 | C14 | 177.6° | 180.0° |
| C12 | C11 | C10 | H101 | 3.1° | 0.0° |
| C11 | C12 | C13 | H131 | 2.4° | 0.3° |
| C11 | C12 | C20 | H201 | 2.7° | 0.2° |
| C12 | C20 | C19 | H201 | 180.0° | 179.3° |
| C20 | C12 | C13 | C14 | 2.6° | 0.0° |
| C12 | C20 | C19 | C15 | 3.4° | 0.7° |
| C20 | C12 | C13 | H131 | 177.4° | 179.7° |
| C20 | C12 | C11 | H111 | 6.7° | 0.0° |
| C12 | C20 | C19 | H191 | 176.6° | 179.2° |
| C13 | C12 | C20 | C19 | 2.9° | 0.5° |
| C12 | C13 | C14 | H131 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 2.9° | 0.2° |
| C13 | C12 | C20 | H201 | 177.1° | 179.7° |
| C13 | C12 | C11 | H111 | 173.1° | 180.0° |
| C12 | C13 | C14 | H141 | 177.1° | 179.7° |
| C20 | C19 | C15 | H191 | 180.0° | 179.9° |
| C20 | C19 | C15 | C14 | 4.0° | 0.5° |
| C20 | C19 | C15 | C16 | 179.2° | 179.5° |
| C13 | C14 | C15 | C19 | 3.7° | 0.0° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 178.9° | 180.0° |
| C19 | C15 | C14 | C16 | 175.2° | 180.0° |
| C19 | C15 | C16 | O17 | 18.3° | 180.0° |
| C19 | C15 | C16 | O18 | 156.4° | 0.1° |
| C15 | C19 | C20 | H201 | 176.6° | 180.0° |
| C19 | C15 | C14 | H141 | 176.3° | 179.9° |
| C14 | C15 | C16 | O17 | 166.2° | 0.0° |
| C14 | C15 | C16 | O18 | 19.1° | 180.0° |
| C15 | C14 | C13 | H131 | 177.1° | 180.0° |
| C14 | C15 | C19 | H191 | 176.0° | 179.5° |
| C15 | C16 | O17 | O18 | 174.3° | 180.0° |
| C16 | C15 | C14 | H141 | 1.1° | 0.1° |
| C16 | C15 | C19 | H191 | 0.8° | 0.6° |
| C15 | C16 | O18 | H3 | 174.4° | 179.9° |
| O17 | C16 | O18 | H3 | 0.0° | 0.0° |
| H101 | C10 | C11 | H111 | 176.9° | 180.0° |
| H131 | C13 | C14 | H141 | 2.9° | 0.0° |
| H201 | C20 | C19 | H191 | 3.4° | 0.0° |
| H242 | C24 | H243 | H241 | 120.0° | 119.9° |
| H261 | C26 | H263 | H262 | 120.0° | 119.9° |
| H011 | C1 | H013 | H012 | 119.9° | 120.0° |
| H033 | C3 | H031 | H032 | 120.0° | 120.0° |
| H042 | C4 | H041 | H043 | 120.0° | 120.0° |
| H253 | C25 | H251 | H252 | 120.0° | 120.0° |
