VE7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.24Å | |
| C02 | C03 | sing | 1.51Å | 1.56Å | |
| C02 | O29 | sing | 1.34Å | 1.25Å | |
| C03 | C04 | sing | 1.51Å | 1.44Å | |
| C11 | O10 | sing | 1.43Å | 1.41Å | |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| O10 | C09 | sing | 1.36Å | 1.40Å | |
| C07 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| C09 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.35Å | 1.38Å | Aromatic |
| C04 | C28 | sing | 1.46Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.47Å | |
| C06 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | O14 | sing | 1.35Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.40Å | 1.36Å | Aromatic |
| C28 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.36Å | 1.37Å | Aromatic |
| O14 | C15 | sing | 1.35Å | 1.36Å | Aromatic |
| C26 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.56Å | |
| C22 | O21 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| O21 | C20 | sing | 1.36Å | 1.40Å | |
| C20 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| O29 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 117.6° | 119.9° |
| O01 | C02 | O29 | 126.6° | 120.0° |
| C03 | C02 | O29 | 115.8° | 120.0° |
| C02 | C03 | C04 | 115.2° | 109.5° |
| C02 | C03 | H031 | 108.0° | 109.4° |
| C02 | C03 | H032 | 108.0° | 109.5° |
| C02 | O29 | H1 | 109.5° | 117.0° |
| C03 | C04 | C05 | 128.7° | 127.0° |
| C03 | C04 | C28 | 125.9° | 126.9° |
| C04 | C03 | H031 | 108.0° | 109.5° |
| C04 | C03 | H032 | 108.0° | 109.5° |
| C11 | O10 | C09 | 119.2° | 117.0° |
| O10 | C11 | H112 | 109.5° | 109.5° |
| O10 | C11 | H111 | 109.5° | 109.4° |
| O10 | C11 | H113 | 109.5° | 109.5° |
| C07 | C08 | C09 | 119.6° | 120.1° |
| C08 | C07 | C06 | 122.6° | 120.0° |
| C08 | C07 | H071 | 118.7° | 120.1° |
| C07 | C08 | H081 | 120.2° | 120.0° |
| C08 | C09 | O10 | 118.9° | 119.9° |
| C08 | C09 | C12 | 119.0° | 120.2° |
| C09 | C08 | H081 | 120.2° | 119.9° |
| O10 | C09 | C12 | 122.0° | 119.9° |
| C07 | C06 | C05 | 121.7° | 120.2° |
| C07 | C06 | C13 | 116.2° | 119.8° |
| C06 | C07 | H071 | 118.7° | 120.0° |
| C09 | C12 | C13 | 120.9° | 120.1° |
| C09 | C12 | H121 | 119.6° | 120.0° |
| C05 | C04 | C28 | 105.5° | 106.1° |
| C04 | C05 | C06 | 136.4° | 125.1° |
| C04 | C05 | O14 | 110.1° | 109.9° |
| C04 | C28 | C27 | 135.8° | 134.1° |
| C04 | C28 | C15 | 108.0° | 105.6° |
| C05 | C06 | C13 | 122.1° | 120.1° |
| C06 | C05 | O14 | 113.5° | 125.0° |
| C06 | C13 | C12 | 121.7° | 119.9° |
| C06 | C13 | H131 | 119.2° | 120.1° |
| C12 | C13 | H131 | 119.2° | 120.0° |
| C13 | C12 | H121 | 119.5° | 120.0° |
| C05 | O14 | C15 | 107.5° | 110.8° |
| C27 | C28 | C15 | 116.2° | 120.3° |
| C28 | C27 | C26 | 120.4° | 119.9° |
| C28 | C27 | H271 | 119.8° | 120.1° |
| C28 | C15 | O14 | 108.9° | 107.5° |
| C28 | C15 | C16 | 124.3° | 119.3° |
| C27 | C26 | C17 | 126.1° | 120.2° |
| C27 | C26 | H261 | 117.0° | 119.9° |
| C26 | C27 | H271 | 119.8° | 120.0° |
| O14 | C15 | C16 | 126.8° | 133.2° |
| C26 | C17 | C16 | 113.3° | 120.5° |
| C26 | C17 | C18 | 122.3° | 119.8° |
| C17 | C26 | H261 | 117.0° | 119.9° |
| C15 | C16 | C17 | 119.8° | 119.7° |
| C15 | C16 | H161 | 120.1° | 120.1° |
| C16 | C17 | C18 | 124.4° | 119.8° |
| C17 | C16 | H161 | 120.1° | 120.2° |
| C17 | C18 | C19 | 123.1° | 120.1° |
| C17 | C18 | C25 | 123.6° | 120.1° |
| C22 | O21 | C20 | 118.2° | 117.0° |
| O21 | C22 | H223 | 109.5° | 109.5° |
| O21 | C22 | H221 | 109.5° | 109.5° |
| O21 | C22 | H222 | 109.5° | 109.5° |
| C19 | C18 | C25 | 113.2° | 119.8° |
| C18 | C19 | C20 | 124.2° | 119.9° |
| C18 | C19 | H191 | 117.9° | 120.1° |
| C18 | C25 | C24 | 122.8° | 120.0° |
| C18 | C25 | H251 | 118.6° | 120.0° |
| C19 | C20 | O21 | 119.9° | 120.0° |
| C19 | C20 | C23 | 121.0° | 120.0° |
| C20 | C19 | H191 | 117.9° | 120.1° |
| O21 | C20 | C23 | 119.0° | 120.0° |
| C20 | C23 | C24 | 116.8° | 120.2° |
| C20 | C23 | H231 | 121.6° | 119.9° |
| C25 | C24 | C23 | 121.9° | 120.2° |
| C25 | C24 | H241 | 119.1° | 119.9° |
| C24 | C25 | H251 | 118.6° | 120.0° |
| C23 | C24 | H241 | 119.0° | 119.9° |
| C24 | C23 | H231 | 121.6° | 119.9° |
| H223 | C22 | H221 | 109.5° | 109.5° |
| H223 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | O29 | 179.4° | 180.0° |
| O01 | C02 | C03 | C04 | 145.2° | 0.0° |
| O01 | C02 | C03 | H031 | 24.4° | 120.0° |
| O01 | C02 | C03 | H032 | 94.0° | 120.0° |
| O01 | C02 | O29 | H1 | 0.0° | 0.0° |
| C02 | C03 | C04 | H031 | 120.8° | 120.0° |
| C02 | C03 | C04 | H032 | 120.8° | 120.1° |
| C02 | C03 | C04 | C05 | 100.5° | 85.1° |
| C02 | C03 | C04 | C28 | 79.0° | 94.9° |
| C02 | C03 | H031 | H032 | 117.4° | 120.0° |
| C03 | C02 | O29 | H1 | 179.3° | 180.0° |
| O29 | C02 | C03 | C04 | 34.1° | 180.0° |
| O29 | C02 | C03 | H031 | 154.9° | 60.0° |
| O29 | C02 | C03 | H032 | 86.7° | 59.9° |
| C03 | C04 | C05 | C28 | 179.6° | 180.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C03 | C04 | C05 | O14 | 179.6° | 179.7° |
| C03 | C04 | C28 | C27 | 0.4° | 0.1° |
| C03 | C04 | C28 | C15 | 179.8° | 180.0° |
| C04 | C03 | H031 | H032 | 117.4° | 120.0° |
| C11 | O10 | C09 | C08 | 134.5° | 180.0° |
| C11 | O10 | C09 | C12 | 46.6° | 0.2° |
| O10 | C11 | H112 | H111 | 120.0° | 119.9° |
| O10 | C11 | H112 | H113 | 120.0° | 120.0° |
| O10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C07 | C08 | C09 | H081 | 180.0° | 180.0° |
| C07 | C08 | C09 | O10 | 179.4° | 180.0° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C07 | C08 | C09 | C12 | 0.5° | 0.2° |
| C08 | C07 | C06 | C05 | 179.9° | 180.0° |
| C08 | C07 | C06 | C13 | 0.3° | 0.0° |
| C08 | C09 | O10 | C12 | 178.9° | 179.8° |
| C09 | C08 | C07 | C06 | 0.0° | 0.0° |
| C08 | C09 | C12 | C13 | 0.6° | 0.5° |
| C09 | C08 | C07 | H071 | 180.0° | 180.0° |
| C08 | C09 | C12 | H121 | 179.4° | 180.0° |
| O10 | C09 | C12 | C13 | 179.5° | 179.7° |
| O10 | C09 | C08 | H081 | 0.6° | 0.0° |
| C09 | O10 | C11 | H112 | 180.0° | 180.0° |
| C09 | O10 | C11 | H111 | 60.0° | 60.0° |
| C09 | O10 | C11 | H113 | 60.0° | 60.0° |
| O10 | C09 | C12 | H121 | 0.5° | 0.2° |
| C07 | C06 | C05 | C04 | 32.8° | 131.2° |
| C07 | C06 | C05 | C13 | 179.6° | 180.0° |
| C07 | C06 | C13 | C12 | 0.2° | 0.3° |
| C07 | C06 | C05 | O14 | 146.7° | 48.5° |
| C07 | C06 | C13 | H131 | 179.8° | 180.0° |
| C06 | C07 | C08 | H081 | 180.0° | 180.0° |
| C09 | C12 | C13 | C06 | 0.3° | 0.5° |
| C09 | C12 | C13 | H121 | 180.0° | 179.5° |
| C09 | C12 | C13 | H131 | 179.7° | 179.8° |
| C12 | C09 | C08 | H081 | 179.5° | 179.8° |
| C04 | C05 | C06 | O14 | 179.4° | 179.7° |
| C04 | C05 | C06 | C13 | 147.7° | 48.8° |
| C05 | C04 | C28 | C27 | 180.0° | 179.9° |
| C05 | C04 | C28 | C15 | 0.2° | 0.0° |
| C04 | C05 | O14 | C15 | 0.2° | 0.4° |
| C05 | C04 | C03 | H031 | 138.7° | 34.9° |
| C05 | C04 | C03 | H032 | 20.3° | 154.8° |
| C28 | C04 | C05 | C06 | 179.5° | 179.9° |
| C28 | C04 | C05 | O14 | 0.0° | 0.2° |
| C04 | C28 | C27 | C15 | 179.7° | 179.9° |
| C04 | C28 | C27 | C26 | 179.8° | 179.9° |
| C04 | C28 | C15 | O14 | 0.3° | 0.3° |
| C04 | C28 | C15 | C16 | 179.8° | 179.9° |
| C28 | C04 | C03 | H031 | 41.8° | 145.2° |
| C28 | C04 | C03 | H032 | 160.2° | 25.2° |
| C04 | C28 | C27 | H271 | 0.2° | 0.1° |
| C05 | C06 | C13 | C12 | 179.7° | 179.7° |
| C06 | C05 | O14 | C15 | 179.8° | 179.8° |
| C05 | C06 | C13 | H131 | 0.3° | 0.0° |
| C05 | C06 | C07 | H071 | 0.1° | 0.0° |
| C06 | C13 | C12 | H131 | 180.0° | 179.7° |
| C13 | C06 | C05 | O14 | 32.9° | 131.5° |
| C13 | C06 | C07 | H071 | 179.7° | 180.0° |
| C06 | C13 | C12 | H121 | 179.7° | 180.0° |
| C05 | O14 | C15 | C28 | 0.3° | 0.4° |
| C05 | O14 | C15 | C16 | 179.8° | 180.0° |
| C28 | C27 | C26 | H271 | 180.0° | 180.0° |
| C27 | C28 | C15 | O14 | 179.9° | 179.8° |
| C28 | C27 | C26 | C17 | 0.4° | 0.1° |
| C27 | C28 | C15 | C16 | 0.0° | 0.1° |
| C28 | C27 | C26 | H261 | 179.5° | 179.9° |
| C15 | C28 | C27 | C26 | 0.0° | 0.1° |
| C28 | C15 | O14 | C16 | 179.8° | 179.6° |
| C28 | C15 | C16 | C17 | 0.4° | 0.1° |
| C28 | C15 | C16 | H161 | 179.5° | 179.9° |
| C15 | C28 | C27 | H271 | 180.0° | 180.0° |
| C27 | C26 | C17 | H261 | 180.0° | 180.0° |
| C27 | C26 | C17 | C16 | 0.9° | 0.1° |
| C27 | C26 | C17 | C18 | 179.3° | 180.0° |
| O14 | C15 | C16 | C17 | 179.4° | 179.6° |
| O14 | C15 | C16 | H161 | 0.7° | 0.4° |
| C26 | C17 | C16 | C15 | 0.8° | 0.0° |
| C26 | C17 | C16 | C18 | 178.4° | 179.8° |
| C26 | C17 | C18 | C19 | 4.1° | 0.0° |
| C26 | C17 | C18 | C25 | 174.3° | 180.0° |
| C26 | C17 | C16 | H161 | 179.2° | 179.9° |
| C17 | C26 | C27 | H271 | 179.5° | 179.9° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 179.2° | 179.9° |
| C16 | C17 | C18 | C19 | 177.7° | 179.9° |
| C16 | C17 | C18 | C25 | 3.9° | 0.2° |
| C16 | C17 | C26 | H261 | 179.1° | 179.9° |
| C17 | C18 | C19 | C25 | 178.5° | 180.0° |
| C17 | C18 | C19 | C20 | 179.0° | 179.9° |
| C17 | C18 | C25 | C24 | 179.1° | 179.9° |
| C18 | C17 | C26 | H261 | 0.7° | 0.1° |
| C18 | C17 | C16 | H161 | 0.8° | 0.1° |
| C17 | C18 | C19 | H191 | 1.1° | 0.0° |
| C17 | C18 | C25 | H251 | 0.9° | 0.1° |
| C22 | O21 | C20 | C19 | 53.1° | 179.7° |
| C22 | O21 | C20 | C23 | 127.6° | 0.0° |
| O21 | C22 | H223 | H221 | 120.0° | 120.0° |
| O21 | C22 | H223 | H222 | 120.0° | 120.0° |
| O21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | O21 | 179.2° | 179.7° |
| C18 | C19 | C20 | C23 | 0.1° | 0.0° |
| C19 | C18 | C25 | C24 | 0.6° | 0.0° |
| C19 | C18 | C25 | H251 | 179.4° | 180.0° |
| C25 | C18 | C19 | C20 | 0.5° | 0.0° |
| C18 | C25 | C24 | H251 | 180.0° | 180.0° |
| C18 | C25 | C24 | C23 | 0.5° | 0.1° |
| C18 | C25 | C24 | H241 | 179.5° | 180.0° |
| C25 | C18 | C19 | H191 | 179.5° | 180.0° |
| C19 | C20 | O21 | C23 | 179.3° | 179.7° |
| C19 | C20 | C23 | C24 | 0.1° | 0.0° |
| C19 | C20 | C23 | H231 | 179.9° | 180.0° |
| O21 | C20 | C23 | C24 | 179.4° | 179.7° |
| C20 | O21 | C22 | H223 | 180.0° | 60.0° |
| C20 | O21 | C22 | H221 | 60.0° | 180.0° |
| C20 | O21 | C22 | H222 | 60.0° | 60.0° |
| O21 | C20 | C19 | H191 | 0.8° | 0.3° |
| O21 | C20 | C23 | H231 | 0.6° | 0.3° |
| C20 | C23 | C24 | C25 | 0.0° | 0.0° |
| C20 | C23 | C24 | H231 | 180.0° | 179.9° |
| C20 | C23 | C24 | H241 | 180.0° | 180.0° |
| C23 | C20 | C19 | H191 | 179.9° | 180.0° |
| C25 | C24 | C23 | H241 | 180.0° | 179.9° |
| C25 | C24 | C23 | H231 | 179.9° | 180.0° |
| C23 | C24 | C25 | H251 | 179.5° | 180.0° |
| H131 | C13 | C12 | H121 | 0.3° | 0.3° |
| H223 | C22 | H221 | H222 | 120.0° | 120.0° |
| H241 | C24 | C23 | H231 | 0.1° | 0.1° |
| H241 | C24 | C25 | H251 | 0.5° | 0.1° |
| H261 | C26 | C27 | H271 | 0.5° | 0.1° |
| H071 | C07 | C08 | H081 | 0.0° | 0.0° |
| H112 | C11 | H111 | H113 | 120.0° | 120.1° |
