VGC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C18 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.59Å | |
| C18 | C19 | sing | 1.53Å | 1.57Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C5 | sing | 1.51Å | 1.54Å | |
| C5 | C2 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C7 | doub | 1.36Å | 1.37Å | Aromatic |
| C2 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| S1 | C3 | sing | 1.76Å | 1.69Å | Aromatic |
| C3 | C6 | sing | 1.46Å | 1.50Å | |
| C3 | C4 | doub | 1.36Å | 1.32Å | Aromatic |
| C6 | O1 | sing | 1.35Å | 1.24Å | |
| C6 | O2 | doub | 1.22Å | 1.22Å | |
| C4 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | N1 | sing | 1.40Å | 1.33Å | Aromatic |
| N1 | C20 | sing | 1.46Å | 1.45Å | |
| N1 | C7 | sing | 1.37Å | 1.31Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.43Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C15 | C14 | 107.2° | 109.5° |
| C15 | C18 | C19 | 109.4° | 109.5° |
| C18 | C15 | H151 | 110.2° | 109.5° |
| C18 | C15 | H152 | 110.7° | 109.5° |
| C15 | C18 | H181 | 109.5° | 109.4° |
| C15 | C18 | H182 | 109.5° | 109.5° |
| C15 | C14 | C16 | 105.1° | 109.5° |
| C15 | C14 | C5 | 108.6° | 109.5° |
| C14 | C15 | H151 | 110.2° | 109.5° |
| C14 | C15 | H152 | 110.7° | 109.4° |
| C15 | C14 | H14 | 112.5° | 109.4° |
| C18 | C19 | C17 | 111.8° | 109.5° |
| C19 | C18 | H181 | 109.5° | 109.5° |
| C19 | C18 | H182 | 109.5° | 109.5° |
| C18 | C19 | H191 | 108.7° | 109.5° |
| C18 | C19 | H192 | 108.2° | 109.5° |
| C19 | C17 | C16 | 111.6° | 109.5° |
| C17 | C19 | H191 | 108.7° | 109.5° |
| C17 | C19 | H192 | 108.2° | 109.4° |
| C19 | C17 | H171 | 108.8° | 109.5° |
| C19 | C17 | H172 | 108.3° | 109.5° |
| C17 | C16 | C14 | 111.2° | 109.4° |
| C16 | C17 | H171 | 108.8° | 109.5° |
| C16 | C17 | H172 | 108.3° | 109.5° |
| C17 | C16 | H161 | 108.9° | 109.5° |
| C17 | C16 | H162 | 108.6° | 109.5° |
| C16 | C14 | C5 | 108.5° | 109.4° |
| C16 | C14 | H14 | 112.6° | 109.5° |
| C14 | C16 | H161 | 108.9° | 109.4° |
| C14 | C16 | H162 | 108.5° | 109.5° |
| C14 | C5 | C2 | 122.8° | 126.1° |
| C14 | C5 | C7 | 128.5° | 126.1° |
| C5 | C14 | H14 | 109.4° | 109.5° |
| C2 | C5 | C7 | 108.6° | 107.8° |
| C5 | C2 | S1 | 145.4° | 142.4° |
| C5 | C2 | C1 | 106.7° | 107.7° |
| C5 | C7 | N1 | 104.8° | 109.0° |
| C5 | C7 | C8 | 129.0° | 125.5° |
| S1 | C2 | C1 | 107.8° | 109.9° |
| C2 | S1 | C3 | 93.2° | 91.4° |
| C2 | C1 | C4 | 114.0° | 113.4° |
| C2 | C1 | N1 | 104.5° | 107.0° |
| S1 | C3 | C6 | 123.1° | 124.9° |
| S1 | C3 | C4 | 111.9° | 110.1° |
| C6 | C3 | C4 | 124.9° | 125.0° |
| C3 | C6 | O1 | 118.6° | 120.0° |
| C3 | C6 | O2 | 118.3° | 120.0° |
| C3 | C4 | C1 | 113.0° | 115.2° |
| C3 | C4 | H4 | 123.5° | 122.4° |
| O1 | C6 | O2 | 123.1° | 120.0° |
| C6 | O1 | H1 | 109.5° | 114.0° |
| C4 | C1 | N1 | 141.5° | 139.7° |
| C1 | C4 | H4 | 123.5° | 122.4° |
| C1 | N1 | C20 | 128.3° | 125.7° |
| C1 | N1 | C7 | 115.4° | 108.6° |
| C20 | N1 | C7 | 116.3° | 125.7° |
| N1 | C20 | H201 | 109.5° | 109.5° |
| N1 | C20 | H202 | 109.5° | 109.5° |
| N1 | C20 | H203 | 109.5° | 109.5° |
| N1 | C7 | C8 | 126.2° | 125.5° |
| C7 | C8 | C9 | 122.6° | 120.2° |
| C7 | C8 | C13 | 119.3° | 120.2° |
| C9 | C8 | C13 | 118.1° | 119.7° |
| C8 | C9 | C10 | 120.7° | 119.9° |
| C8 | C9 | H9 | 119.7° | 120.1° |
| C8 | C13 | C12 | 121.5° | 119.9° |
| C8 | C13 | H13 | 119.2° | 120.0° |
| C9 | C10 | C11 | 122.6° | 120.1° |
| C10 | C9 | H9 | 119.6° | 120.0° |
| C9 | C10 | H10 | 118.7° | 120.0° |
| C10 | C11 | C12 | 115.3° | 120.3° |
| C11 | C10 | H10 | 118.7° | 119.9° |
| C10 | C11 | H11 | 122.3° | 119.8° |
| C11 | C12 | C13 | 121.7° | 120.1° |
| C12 | C11 | H11 | 122.3° | 119.9° |
| C11 | C12 | H12 | 119.2° | 119.9° |
| C12 | C13 | H13 | 119.2° | 120.1° |
| C13 | C12 | H12 | 119.1° | 119.9° |
| H151 | C15 | H152 | 107.7° | 109.5° |
| H181 | C18 | H182 | 109.4° | 109.4° |
| H191 | C19 | H192 | 111.3° | 109.5° |
| H171 | C17 | H172 | 111.1° | 109.5° |
| H161 | C16 | H162 | 110.8° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.4° | 109.4° |
| H202 | C20 | H203 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C15 | C14 | H151 | 120.0° | 120.1° |
| C18 | C15 | C14 | H152 | 120.9° | 120.0° |
| C15 | C18 | C19 | H181 | 120.0° | 120.0° |
| C15 | C18 | C19 | H182 | 120.0° | 120.0° |
| C15 | C18 | C19 | C17 | 55.2° | 60.0° |
| C18 | C15 | C14 | C16 | 68.5° | 60.0° |
| C18 | C15 | C14 | C5 | 175.6° | 179.9° |
| C18 | C15 | H151 | H152 | 120.9° | 120.0° |
| C15 | C18 | H181 | H182 | 120.0° | 120.0° |
| C18 | C15 | C14 | H14 | 54.4° | 60.0° |
| C15 | C18 | C19 | H191 | 64.8° | 60.0° |
| C15 | C18 | C19 | H192 | 174.2° | 180.0° |
| C14 | C15 | C18 | C19 | 64.4° | 60.0° |
| C15 | C14 | C16 | C17 | 63.7° | 60.0° |
| C15 | C14 | C16 | C5 | 115.9° | 120.0° |
| C15 | C14 | C16 | H14 | 122.8° | 120.0° |
| C15 | C14 | C5 | H14 | 123.1° | 120.0° |
| C15 | C14 | C5 | C2 | 44.1° | 60.0° |
| C15 | C14 | C5 | C7 | 134.7° | 120.3° |
| C14 | C15 | H151 | H152 | 120.9° | 119.9° |
| C14 | C15 | C18 | H181 | 175.6° | 180.0° |
| C14 | C15 | C18 | H182 | 55.7° | 60.0° |
| C15 | C14 | C16 | H161 | 56.2° | 60.0° |
| C15 | C14 | C16 | H162 | 176.9° | 180.0° |
| C18 | C19 | C17 | H191 | 120.0° | 120.0° |
| C18 | C19 | C17 | H192 | 119.0° | 120.0° |
| C18 | C19 | C17 | C16 | 49.5° | 60.0° |
| C19 | C18 | C15 | H151 | 175.6° | 180.0° |
| C19 | C18 | C15 | H152 | 56.5° | 60.0° |
| C19 | C18 | H181 | H182 | 120.1° | 120.0° |
| C18 | C19 | H191 | H192 | 119.0° | 120.1° |
| C18 | C19 | C17 | H171 | 169.5° | 180.0° |
| C18 | C19 | C17 | H172 | 69.7° | 60.0° |
| C19 | C17 | C16 | H171 | 120.0° | 120.0° |
| C19 | C17 | C16 | H172 | 119.1° | 120.0° |
| C19 | C17 | C16 | C14 | 55.8° | 60.0° |
| C17 | C19 | C18 | H181 | 175.2° | 180.0° |
| C17 | C19 | C18 | H182 | 64.8° | 60.0° |
| C17 | C19 | H191 | H192 | 119.1° | 120.0° |
| C19 | C17 | H171 | H172 | 119.1° | 120.0° |
| C19 | C17 | C16 | H161 | 64.2° | 59.9° |
| C19 | C17 | C16 | H162 | 175.1° | 180.0° |
| C17 | C16 | C14 | H161 | 120.0° | 120.0° |
| C17 | C16 | C14 | H162 | 119.3° | 120.0° |
| C17 | C16 | C14 | C5 | 179.7° | 180.0° |
| C17 | C16 | C14 | H14 | 59.1° | 60.0° |
| C16 | C17 | C19 | H191 | 70.5° | 60.0° |
| C16 | C17 | C19 | H192 | 168.5° | 180.0° |
| C16 | C17 | H171 | H172 | 119.2° | 120.0° |
| C17 | C16 | H161 | H162 | 119.3° | 120.1° |
| C16 | C14 | C5 | H14 | 123.2° | 120.0° |
| C16 | C14 | C5 | C2 | 69.6° | 60.0° |
| C16 | C14 | C5 | C7 | 111.7° | 119.7° |
| C16 | C14 | C15 | H151 | 171.5° | 180.0° |
| C16 | C14 | C15 | H152 | 52.4° | 60.0° |
| C14 | C16 | C17 | H171 | 175.8° | 180.0° |
| C14 | C16 | C17 | H172 | 63.3° | 60.0° |
| C14 | C16 | H161 | H162 | 119.3° | 120.0° |
| C14 | C5 | C2 | C7 | 179.0° | 179.7° |
| C14 | C5 | C2 | S1 | 1.8° | 0.1° |
| C14 | C5 | C2 | C1 | 179.3° | 180.0° |
| C14 | C5 | C7 | N1 | 179.7° | 179.8° |
| C14 | C5 | C7 | C8 | 1.9° | 0.1° |
| C5 | C14 | C15 | H151 | 55.6° | 60.0° |
| C5 | C14 | C15 | H152 | 63.5° | 60.0° |
| C5 | C14 | C16 | H161 | 59.7° | 60.0° |
| C5 | C14 | C16 | H162 | 61.0° | 60.0° |
| C5 | C2 | S1 | C1 | 177.5° | 179.9° |
| C5 | C2 | S1 | C3 | 178.9° | 179.9° |
| C5 | C2 | C1 | C4 | 179.3° | 180.0° |
| C5 | C2 | C1 | N1 | 1.4° | 0.0° |
| C2 | C5 | C7 | N1 | 1.4° | 0.4° |
| C2 | C5 | C7 | C8 | 179.2° | 179.7° |
| C2 | C5 | C14 | H14 | 167.2° | 180.0° |
| C7 | C5 | C2 | S1 | 179.3° | 179.8° |
| C7 | C5 | C2 | C1 | 1.8° | 0.3° |
| C5 | C7 | N1 | C1 | 0.5° | 0.4° |
| C5 | C7 | N1 | C20 | 178.4° | 179.8° |
| C5 | C7 | N1 | C8 | 177.9° | 179.9° |
| C5 | C7 | C8 | C9 | 131.6° | 135.0° |
| C5 | C7 | C8 | C13 | 48.3° | 45.2° |
| C7 | C5 | C14 | H14 | 11.6° | 0.3° |
| C2 | S1 | C3 | C6 | 179.0° | 179.9° |
| C2 | S1 | C3 | C4 | 1.7° | 0.0° |
| S1 | C2 | C1 | C4 | 0.8° | 0.0° |
| S1 | C2 | C1 | N1 | 179.9° | 180.0° |
| C1 | C2 | S1 | C3 | 1.4° | 0.0° |
| C2 | C1 | C4 | C3 | 0.4° | 0.0° |
| C2 | C1 | C4 | N1 | 178.9° | 180.0° |
| C2 | C1 | N1 | C20 | 179.3° | 180.0° |
| C2 | C1 | N1 | C7 | 0.6° | 0.2° |
| C2 | C1 | C4 | H4 | 179.6° | 180.0° |
| S1 | C3 | C6 | C4 | 177.0° | 179.9° |
| S1 | C3 | C6 | O1 | 177.7° | 0.1° |
| S1 | C3 | C6 | O2 | 0.6° | 180.0° |
| S1 | C3 | C4 | C1 | 1.5° | 0.0° |
| S1 | C3 | C4 | H4 | 178.5° | 180.0° |
| C3 | C6 | O1 | O2 | 177.0° | 179.9° |
| C6 | C3 | C4 | C1 | 178.8° | 179.9° |
| C6 | C3 | C4 | H4 | 1.2° | 0.0° |
| C3 | C6 | O1 | H1 | 177.0° | 180.0° |
| C4 | C3 | C6 | O1 | 0.7° | 180.0° |
| C4 | C3 | C6 | O2 | 176.4° | 0.0° |
| C3 | C4 | C1 | H4 | 180.0° | 180.0° |
| C3 | C4 | C1 | N1 | 178.5° | 180.0° |
| O2 | C6 | O1 | H1 | 0.0° | 0.0° |
| C4 | C1 | N1 | C20 | 1.7° | 0.0° |
| C4 | C1 | N1 | C7 | 179.6° | 179.8° |
| C1 | N1 | C20 | C7 | 178.7° | 179.7° |
| C1 | N1 | C7 | C8 | 178.4° | 179.7° |
| N1 | C1 | C4 | H4 | 1.5° | 0.1° |
| C1 | N1 | C20 | H201 | 134.6° | 90.0° |
| C1 | N1 | C20 | H202 | 105.4° | 150.0° |
| C1 | N1 | C20 | H203 | 14.6° | 30.0° |
| C20 | N1 | C7 | C8 | 0.5° | 0.0° |
| N1 | C20 | H201 | H202 | 120.0° | 120.0° |
| N1 | C20 | H201 | H203 | 120.0° | 120.0° |
| N1 | C20 | H202 | H203 | 120.0° | 120.0° |
| N1 | C7 | C8 | C9 | 51.0° | 44.9° |
| N1 | C7 | C8 | C13 | 129.0° | 134.9° |
| C7 | N1 | C20 | H201 | 44.1° | 89.7° |
| C7 | N1 | C20 | H202 | 75.9° | 30.3° |
| C7 | N1 | C20 | H203 | 164.1° | 150.3° |
| C7 | C8 | C9 | C13 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 179.1° | 180.0° |
| C7 | C8 | C13 | C12 | 178.1° | 179.7° |
| C7 | C8 | C9 | H9 | 0.9° | 0.0° |
| C7 | C8 | C13 | H13 | 1.9° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 3.1° | 0.0° |
| C9 | C8 | C13 | C12 | 1.8° | 0.5° |
| C9 | C8 | C13 | H13 | 178.2° | 179.7° |
| C8 | C9 | C10 | H10 | 176.9° | 180.0° |
| C13 | C8 | C9 | C10 | 0.9° | 0.3° |
| C8 | C13 | C12 | C11 | 2.6° | 0.5° |
| C8 | C13 | C12 | H13 | 180.0° | 179.7° |
| C13 | C8 | C9 | H9 | 179.1° | 179.8° |
| C8 | C13 | C12 | H12 | 177.4° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 2.3° | 0.1° |
| C9 | C10 | C11 | H11 | 177.7° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.2° |
| C11 | C10 | C9 | H9 | 176.9° | 179.9° |
| C10 | C11 | C12 | H12 | 179.5° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C11 | C12 | C13 | H13 | 177.4° | 179.7° |
| C12 | C11 | C10 | H10 | 177.7° | 180.0° |
| C13 | C12 | C11 | H11 | 179.5° | 179.7° |
| H151 | C15 | C18 | H181 | 55.6° | 60.0° |
| H151 | C15 | C18 | H182 | 64.4° | 60.0° |
| H151 | C15 | C14 | H14 | 65.6° | 60.0° |
| H152 | C15 | C18 | H181 | 63.5° | 60.1° |
| H152 | C15 | C18 | H182 | 176.5° | 180.0° |
| H152 | C15 | C14 | H14 | 175.3° | 180.0° |
| H181 | C18 | C19 | H191 | 55.2° | 60.0° |
| H181 | C18 | C19 | H192 | 65.8° | 60.0° |
| H182 | C18 | C19 | H191 | 175.1° | 180.0° |
| H182 | C18 | C19 | H192 | 54.2° | 59.9° |
| H14 | C14 | C16 | H161 | 179.1° | 180.0° |
| H14 | C14 | C16 | H162 | 60.2° | 60.0° |
| H191 | C19 | C17 | H171 | 49.5° | 60.0° |
| H191 | C19 | C17 | H172 | 170.3° | 180.0° |
| H192 | C19 | C17 | H171 | 71.5° | 60.0° |
| H192 | C19 | C17 | H172 | 49.4° | 60.0° |
| H171 | C17 | C16 | H161 | 55.8° | 60.1° |
| H171 | C17 | C16 | H162 | 64.9° | 60.0° |
| H172 | C17 | C16 | H161 | 176.7° | 179.9° |
| H172 | C17 | C16 | H162 | 56.0° | 60.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H9 | C9 | C10 | H10 | 3.1° | 0.0° |
| H13 | C13 | C12 | H12 | 2.6° | 0.0° |
| H10 | C10 | C11 | H11 | 2.3° | 0.0° |
| H11 | C11 | C12 | H12 | 0.5° | 0.0° |
