VCY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.25Å | |
| C12 | O11 | sing | 1.43Å | 1.49Å | |
| C02 | O29 | sing | 1.34Å | 1.21Å | |
| C02 | C03 | sing | 1.51Å | 1.63Å | |
| C03 | C04 | sing | 1.51Å | 1.55Å | |
| O11 | C10 | sing | 1.36Å | 1.43Å | |
| C09 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | C13 | sing | 1.39Å | 1.43Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.41Å | Aromatic |
| C04 | C05 | doub | 1.36Å | 1.35Å | Aromatic |
| C04 | C28 | sing | 1.46Å | 1.44Å | Aromatic |
| C13 | C06 | doub | 1.39Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.51Å | |
| C05 | O14 | sing | 1.35Å | 1.41Å | Aromatic |
| C28 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.37Å | 1.38Å | Aromatic |
| O14 | C15 | sing | 1.35Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.47Å | |
| C22 | O21 | sing | 1.43Å | 1.41Å | |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C25 | sing | 1.39Å | 1.43Å | Aromatic |
| O21 | C20 | sing | 1.36Å | 1.37Å | |
| C20 | C23 | doub | 1.39Å | 1.43Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C03 | H032 | 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 | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| 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 | O29 | 125.7° | 120.0° |
| O01 | C02 | C03 | 115.5° | 120.0° |
| C12 | O11 | C10 | 119.0° | 117.0° |
| O11 | C12 | H123 | 109.5° | 109.5° |
| O11 | C12 | H122 | 109.4° | 109.4° |
| O11 | C12 | H121 | 109.4° | 109.5° |
| O29 | C02 | C03 | 118.7° | 120.0° |
| C02 | O29 | H1 | 109.5° | 117.0° |
| C02 | C03 | C04 | 120.0° | 109.5° |
| C02 | C03 | H032 | 106.8° | 109.5° |
| C02 | C03 | H031 | 106.8° | 109.5° |
| C03 | C04 | C05 | 124.8° | 126.9° |
| C03 | C04 | C28 | 127.9° | 126.9° |
| C04 | C03 | H032 | 106.8° | 109.4° |
| C04 | C03 | H031 | 106.8° | 109.4° |
| O11 | C10 | C09 | 122.0° | 120.0° |
| O11 | C10 | C13 | 121.2° | 120.0° |
| C10 | C09 | C08 | 119.5° | 120.2° |
| C09 | C10 | C13 | 116.9° | 120.0° |
| C10 | C09 | H091 | 120.2° | 119.9° |
| C09 | C08 | C07 | 121.5° | 120.2° |
| C09 | C08 | H081 | 119.2° | 119.9° |
| C08 | C09 | H091 | 120.2° | 119.9° |
| C10 | C13 | C06 | 124.7° | 119.8° |
| C10 | C13 | H131 | 117.7° | 120.1° |
| C08 | C07 | C06 | 121.5° | 120.0° |
| C08 | C07 | H071 | 119.2° | 120.1° |
| C07 | C08 | H081 | 119.2° | 119.9° |
| C05 | C04 | C28 | 107.4° | 106.1° |
| C04 | C05 | C06 | 137.7° | 125.1° |
| C04 | C05 | O14 | 112.7° | 109.8° |
| C04 | C28 | C27 | 142.6° | 134.0° |
| C04 | C28 | C15 | 104.4° | 105.6° |
| C13 | C06 | C07 | 115.9° | 119.7° |
| C13 | C06 | C05 | 123.6° | 120.1° |
| C06 | C13 | H131 | 117.7° | 120.1° |
| C07 | C06 | C05 | 120.5° | 120.1° |
| C06 | C07 | H071 | 119.2° | 120.0° |
| C06 | C05 | O14 | 109.6° | 125.1° |
| C05 | O14 | C15 | 103.3° | 110.9° |
| C27 | C28 | C15 | 113.1° | 120.3° |
| C28 | C27 | C26 | 122.0° | 119.9° |
| C28 | C27 | H271 | 119.0° | 120.1° |
| C28 | C15 | O14 | 112.3° | 107.5° |
| C28 | C15 | C16 | 127.0° | 119.3° |
| C27 | C26 | C17 | 122.8° | 120.3° |
| C27 | C26 | H261 | 118.6° | 119.8° |
| C26 | C27 | H271 | 119.0° | 120.1° |
| O14 | C15 | C16 | 120.7° | 133.2° |
| C15 | C16 | C17 | 118.5° | 119.8° |
| C15 | C16 | H161 | 120.8° | 120.1° |
| C26 | C17 | C16 | 116.7° | 120.5° |
| C26 | C17 | C18 | 123.4° | 119.7° |
| C17 | C26 | H261 | 118.6° | 119.9° |
| C16 | C17 | C18 | 119.8° | 119.8° |
| C17 | C16 | H161 | 120.8° | 120.1° |
| C17 | C18 | C19 | 123.7° | 120.1° |
| C17 | C18 | C25 | 120.7° | 120.1° |
| C22 | O21 | C20 | 116.7° | 117.0° |
| O21 | C22 | H222 | 109.5° | 109.5° |
| O21 | C22 | H221 | 109.5° | 109.5° |
| O21 | C22 | H223 | 109.5° | 109.5° |
| C18 | C19 | C20 | 124.3° | 119.8° |
| C19 | C18 | C25 | 115.6° | 119.8° |
| C18 | C19 | H191 | 117.8° | 120.1° |
| C19 | C20 | O21 | 119.9° | 120.0° |
| C19 | C20 | C23 | 118.3° | 120.0° |
| C20 | C19 | H191 | 117.9° | 120.1° |
| C18 | C25 | C24 | 122.3° | 120.0° |
| C18 | C25 | H251 | 118.9° | 120.0° |
| O21 | C20 | C23 | 121.7° | 120.0° |
| C20 | C23 | C24 | 119.1° | 120.2° |
| C20 | C23 | H231 | 120.4° | 119.9° |
| C25 | C24 | C23 | 120.3° | 120.2° |
| C25 | C24 | H241 | 119.8° | 119.9° |
| C24 | C25 | H251 | 118.8° | 120.0° |
| C23 | C24 | H241 | 119.8° | 119.9° |
| C24 | C23 | H231 | 120.4° | 119.9° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.4° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H123 | C12 | H122 | 109.5° | 109.4° |
| H123 | C12 | H121 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | O29 | C03 | 178.1° | 180.0° |
| O01 | C02 | C03 | C04 | 90.9° | 0.0° |
| O01 | C02 | C03 | H032 | 30.6° | 120.0° |
| O01 | C02 | C03 | H031 | 147.6° | 120.0° |
| O01 | C02 | O29 | H1 | 0.0° | 0.1° |
| C12 | O11 | C10 | C09 | 96.9° | 0.3° |
| C12 | O11 | C10 | C13 | 82.2° | 180.0° |
| O11 | C12 | H123 | H122 | 120.0° | 119.9° |
| O11 | C12 | H123 | H121 | 120.0° | 120.0° |
| O11 | C12 | H122 | H121 | 120.0° | 120.0° |
| O29 | C02 | C03 | C04 | 90.8° | 180.0° |
| O29 | C02 | C03 | H032 | 147.7° | 60.1° |
| O29 | C02 | C03 | H031 | 30.7° | 60.0° |
| C02 | C03 | C04 | H032 | 121.5° | 120.0° |
| C02 | C03 | C04 | H031 | 121.5° | 120.0° |
| C02 | C03 | C04 | C05 | 168.1° | 85.0° |
| C02 | C03 | C04 | C28 | 12.3° | 94.9° |
| C02 | C03 | H032 | H031 | 115.2° | 120.1° |
| C03 | C02 | O29 | H1 | 178.1° | 180.0° |
| C03 | C04 | C05 | C28 | 179.7° | 179.9° |
| C03 | C04 | C05 | C06 | 0.7° | 0.1° |
| C03 | C04 | C05 | O14 | 179.3° | 179.8° |
| C03 | C04 | C28 | C27 | 0.4° | 0.0° |
| C03 | C04 | C28 | C15 | 179.5° | 180.0° |
| C04 | C03 | H032 | H031 | 115.2° | 120.0° |
| O11 | C10 | C09 | C13 | 179.1° | 179.7° |
| O11 | C10 | C09 | C08 | 179.2° | 179.7° |
| O11 | C10 | C13 | C06 | 179.2° | 179.7° |
| O11 | C10 | C13 | H131 | 0.8° | 0.3° |
| O11 | C10 | C09 | H091 | 0.8° | 0.4° |
| C10 | O11 | C12 | H123 | 180.0° | 180.0° |
| C10 | O11 | C12 | H122 | 60.0° | 60.1° |
| C10 | O11 | C12 | H121 | 60.0° | 60.0° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 0.2° | 0.1° |
| C09 | C10 | C13 | C06 | 0.1° | 0.0° |
| C09 | C10 | C13 | H131 | 179.9° | 180.0° |
| C10 | C09 | C08 | H081 | 179.8° | 179.9° |
| C08 | C09 | C10 | C13 | 0.1° | 0.1° |
| C09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.7° | 0.0° |
| C09 | C08 | C07 | H071 | 179.3° | 180.0° |
| C10 | C13 | C06 | H131 | 180.0° | 180.0° |
| C10 | C13 | C06 | C07 | 0.3° | 0.0° |
| C10 | C13 | C06 | C05 | 179.4° | 180.0° |
| C13 | C10 | C09 | H091 | 179.9° | 180.0° |
| C08 | C07 | C06 | C13 | 0.7° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 179.0° | 180.0° |
| C07 | C08 | C09 | H091 | 179.7° | 180.0° |
| C04 | C05 | C06 | C13 | 50.0° | 48.7° |
| C04 | C05 | C06 | C07 | 129.7° | 131.3° |
| C04 | C05 | C06 | O14 | 180.0° | 179.8° |
| C05 | C04 | C28 | C27 | 180.0° | 180.0° |
| C05 | C04 | C28 | C15 | 0.2° | 0.0° |
| C04 | C05 | O14 | C15 | 0.4° | 0.3° |
| C05 | C04 | C03 | H032 | 70.5° | 34.9° |
| C05 | C04 | C03 | H031 | 46.6° | 154.9° |
| C28 | C04 | C05 | C06 | 179.6° | 180.0° |
| C28 | C04 | C05 | O14 | 0.4° | 0.2° |
| C04 | C28 | C27 | C15 | 179.8° | 180.0° |
| C04 | C28 | C27 | C26 | 180.0° | 180.0° |
| C04 | C28 | C15 | O14 | 0.1° | 0.2° |
| C04 | C28 | C15 | C16 | 179.9° | 180.0° |
| C28 | C04 | C03 | H032 | 109.1° | 145.1° |
| C28 | C04 | C03 | H031 | 133.8° | 25.1° |
| C04 | C28 | C27 | H271 | 0.0° | 0.0° |
| C13 | C06 | C07 | C05 | 179.7° | 180.0° |
| C13 | C06 | C05 | O14 | 130.0° | 131.4° |
| C13 | C06 | C07 | H071 | 179.3° | 179.9° |
| C07 | C06 | C05 | O14 | 50.3° | 48.6° |
| C07 | C06 | C13 | H131 | 179.7° | 180.0° |
| C06 | C07 | C08 | H081 | 179.3° | 180.0° |
| C06 | C05 | O14 | C15 | 179.6° | 179.8° |
| C05 | C06 | C13 | H131 | 0.6° | 0.1° |
| C05 | C06 | C07 | H071 | 1.0° | 0.1° |
| C05 | O14 | C15 | C28 | 0.3° | 0.3° |
| C05 | O14 | C15 | C16 | 179.9° | 179.9° |
| C28 | C27 | C26 | H271 | 180.0° | 180.0° |
| C27 | C28 | C15 | O14 | 179.8° | 179.8° |
| C27 | C28 | C15 | C16 | 0.0° | 0.0° |
| C28 | C27 | C26 | C17 | 0.2° | 0.1° |
| C28 | C27 | C26 | H261 | 179.8° | 179.9° |
| C15 | C28 | C27 | C26 | 0.1° | 0.1° |
| C28 | C15 | O14 | C16 | 179.9° | 179.8° |
| C28 | C15 | C16 | C17 | 0.0° | 0.1° |
| C28 | C15 | C16 | H161 | 180.0° | 180.0° |
| C15 | C28 | C27 | H271 | 179.9° | 180.0° |
| C27 | C26 | C17 | H261 | 180.0° | 179.9° |
| C27 | C26 | C17 | C16 | 0.2° | 0.1° |
| C27 | C26 | C17 | C18 | 179.7° | 180.0° |
| O14 | C15 | C16 | C17 | 179.9° | 179.7° |
| O14 | C15 | C16 | H161 | 0.1° | 0.2° |
| C15 | C16 | C17 | C26 | 0.0° | 0.1° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 179.6° | 180.0° |
| C26 | C17 | C16 | C18 | 179.5° | 179.9° |
| C26 | C17 | C18 | C19 | 51.1° | 0.1° |
| C26 | C17 | C18 | C25 | 128.3° | 180.0° |
| C26 | C17 | C16 | H161 | 180.0° | 180.0° |
| C17 | C26 | C27 | H271 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 129.4° | 179.8° |
| C16 | C17 | C18 | C25 | 51.2° | 0.1° |
| C16 | C17 | C26 | H261 | 179.9° | 179.8° |
| C17 | C18 | C19 | C25 | 179.4° | 180.0° |
| C17 | C18 | C19 | C20 | 179.3° | 180.0° |
| C17 | C18 | C25 | C24 | 179.3° | 180.0° |
| C18 | C17 | C26 | H261 | 0.4° | 0.1° |
| C18 | C17 | C16 | H161 | 0.5° | 0.1° |
| C17 | C18 | C19 | H191 | 0.7° | 0.1° |
| C17 | C18 | C25 | H251 | 0.7° | 0.0° |
| C22 | O21 | C20 | C19 | 40.0° | 179.7° |
| C22 | O21 | C20 | C23 | 139.4° | 0.0° |
| O21 | C22 | H222 | H221 | 120.0° | 120.0° |
| O21 | C22 | H222 | H223 | 120.0° | 120.0° |
| O21 | C22 | H221 | H223 | 120.0° | 120.0° |
| C18 | C19 | C20 | H191 | 180.0° | 179.9° |
| C18 | C19 | C20 | O21 | 179.5° | 179.7° |
| C18 | C19 | C20 | C23 | 0.0° | 0.0° |
| C19 | C18 | C25 | C24 | 0.1° | 0.0° |
| C19 | C18 | C25 | H251 | 179.9° | 180.0° |
| C20 | C19 | C18 | C25 | 0.1° | 0.0° |
| C19 | C20 | O21 | C23 | 179.5° | 179.8° |
| C19 | C20 | C23 | C24 | 0.2° | 0.0° |
| C19 | C20 | C23 | H231 | 179.8° | 180.0° |
| C18 | C25 | C24 | H251 | 180.0° | 180.0° |
| C18 | C25 | C24 | C23 | 0.0° | 0.0° |
| C18 | C25 | C24 | H241 | 180.0° | 180.0° |
| C25 | C18 | C19 | H191 | 179.9° | 179.9° |
| O21 | C20 | C23 | C24 | 179.7° | 179.8° |
| C20 | O21 | C22 | H222 | 180.0° | 60.0° |
| C20 | O21 | C22 | H221 | 60.0° | 180.0° |
| C20 | O21 | C22 | H223 | 60.0° | 60.0° |
| O21 | C20 | C19 | H191 | 0.5° | 0.3° |
| O21 | C20 | C23 | H231 | 0.3° | 0.3° |
| C20 | C23 | C24 | C25 | 0.2° | 0.0° |
| C20 | C23 | C24 | H231 | 180.0° | 180.0° |
| C20 | C23 | C24 | H241 | 179.8° | 180.0° |
| C23 | C20 | C19 | H191 | 180.0° | 179.9° |
| C25 | C24 | C23 | H241 | 180.0° | 180.0° |
| C25 | C24 | C23 | H231 | 179.8° | 180.0° |
| C23 | C24 | C25 | H251 | 180.0° | 180.0° |
| H222 | C22 | H221 | H223 | 120.0° | 120.0° |
| H241 | C24 | C23 | H231 | 0.2° | 0.0° |
| H241 | C24 | C25 | H251 | 0.0° | 0.0° |
| H261 | C26 | C27 | H271 | 0.2° | 0.1° |
| H071 | C07 | C08 | H081 | 0.7° | 0.0° |
| H081 | C08 | C09 | H091 | 0.2° | 0.0° |
| H123 | C12 | H122 | H121 | 120.0° | 120.0° |
