VT4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.35Å | 1.36Å | |
| C1 | C6 | sing | 1.41Å | 1.44Å | |
| C2 | C14 | sing | 1.51Å | 1.50Å | |
| C2 | N | sing | 1.35Å | 1.43Å | |
| C4 | C5 | doub | 1.35Å | 1.37Å | |
| C4 | N | sing | 1.36Å | 1.36Å | |
| C5 | C6 | sing | 1.42Å | 1.49Å | |
| C5 | O7 | sing | 1.36Å | 1.38Å | |
| C6 | O17 | doub | 1.22Å | 1.29Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | O7 | sing | 1.36Å | 1.41Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C80 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.49Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C21 | N | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C80 | H801 | sing | 1.09Å | 1.10Å | |
| C80 | H802 | sing | 1.09Å | 1.10Å | |
| C80 | H803 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.7° | 119.3° |
| C1 | C2 | C14 | 118.4° | 119.6° |
| C1 | C2 | N | 123.2° | 120.8° |
| C2 | C1 | H1 | 120.1° | 120.3° |
| C1 | C6 | C5 | 114.6° | 118.6° |
| C1 | C6 | O17 | 125.2° | 120.7° |
| C6 | C1 | H1 | 120.2° | 120.3° |
| C14 | C2 | N | 118.0° | 119.6° |
| C2 | C14 | C15 | 113.3° | 109.5° |
| C2 | C14 | H141 | 108.5° | 109.5° |
| C2 | C14 | H142 | 108.5° | 109.5° |
| C2 | N | C4 | 119.8° | 121.5° |
| C2 | N | C21 | 119.3° | 119.3° |
| C5 | C4 | N | 119.0° | 120.6° |
| C4 | C5 | C6 | 123.7° | 119.1° |
| C4 | C5 | O7 | 122.1° | 120.4° |
| C5 | C4 | H4 | 120.5° | 119.7° |
| C4 | N | C21 | 120.8° | 119.2° |
| N | C4 | H4 | 120.5° | 119.7° |
| C6 | C5 | O7 | 114.1° | 120.4° |
| C5 | C6 | O17 | 120.1° | 120.7° |
| C5 | O7 | C8 | 115.8° | 118.0° |
| C9 | C8 | C13 | 121.8° | 119.9° |
| C9 | C8 | O7 | 116.9° | 120.0° |
| C8 | C9 | C10 | 117.4° | 119.9° |
| C8 | C9 | C80 | 121.1° | 120.0° |
| C13 | C8 | O7 | 121.3° | 120.1° |
| C8 | C13 | C12 | 119.4° | 120.0° |
| C8 | C13 | H13 | 120.3° | 120.0° |
| C10 | C9 | C80 | 121.5° | 120.0° |
| C9 | C10 | C11 | 121.3° | 120.0° |
| C9 | C10 | H10 | 119.4° | 119.9° |
| C9 | C80 | H801 | 109.5° | 109.5° |
| C9 | C80 | H802 | 109.5° | 109.5° |
| C9 | C80 | H803 | 109.5° | 109.4° |
| C10 | C11 | C12 | 120.0° | 120.2° |
| C11 | C10 | H10 | 119.4° | 120.0° |
| C10 | C11 | H11 | 120.0° | 119.9° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C12 | C11 | H11 | 120.0° | 119.9° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C12 | C13 | H13 | 120.3° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C14 | C15 | C16 | 111.9° | 109.5° |
| C15 | C14 | H141 | 108.5° | 109.5° |
| C15 | C14 | H142 | 108.5° | 109.4° |
| C14 | C15 | H151 | 108.9° | 109.5° |
| C14 | C15 | H152 | 108.9° | 109.5° |
| C15 | C16 | C17 | 110.4° | 109.5° |
| C16 | C15 | H151 | 108.9° | 109.5° |
| C16 | C15 | H152 | 108.8° | 109.4° |
| C15 | C16 | H161 | 109.2° | 109.5° |
| C15 | C16 | H162 | 109.2° | 109.5° |
| C16 | C17 | C18 | 113.4° | 109.5° |
| C17 | C16 | H161 | 109.2° | 109.4° |
| C17 | C16 | H162 | 109.3° | 109.5° |
| C16 | C17 | H171 | 108.5° | 109.5° |
| C16 | C17 | H172 | 108.5° | 109.5° |
| C17 | C18 | C19 | 113.3° | 109.5° |
| C18 | C17 | H171 | 108.5° | 109.4° |
| C18 | C17 | H172 | 108.5° | 109.5° |
| C17 | C18 | H181 | 108.5° | 109.4° |
| C17 | C18 | H182 | 108.5° | 109.5° |
| C19 | C18 | H181 | 108.5° | 109.5° |
| C19 | C18 | H182 | 108.5° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| N | C21 | H211 | 109.5° | 109.5° |
| N | C21 | H212 | 109.5° | 109.5° |
| N | C21 | H213 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H801 | C80 | H802 | 109.5° | 109.5° |
| H801 | C80 | H803 | 109.4° | 109.5° |
| H802 | C80 | H803 | 109.4° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.4° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.4° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.4° |
| H212 | C21 | H213 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C14 | N | 172.3° | 179.9° |
| C1 | C2 | N | C4 | 2.7° | 0.1° |
| C2 | C1 | C6 | C5 | 1.1° | 0.0° |
| C2 | C1 | C6 | O17 | 177.7° | 180.0° |
| C1 | C2 | C14 | C15 | 125.6° | 92.2° |
| C1 | C2 | N | C21 | 178.8° | 180.0° |
| C1 | C2 | C14 | H141 | 5.0° | 27.8° |
| C1 | C2 | C14 | H142 | 113.8° | 147.8° |
| C6 | C1 | C2 | C14 | 171.3° | 180.0° |
| C6 | C1 | C2 | N | 0.5° | 0.1° |
| C1 | C6 | C5 | C4 | 0.7° | 0.1° |
| C1 | C6 | C5 | O17 | 176.8° | 180.0° |
| C1 | C6 | C5 | O7 | 175.9° | 180.0° |
| C14 | C2 | N | C4 | 169.2° | 180.0° |
| C2 | C14 | C15 | H141 | 120.6° | 120.0° |
| C2 | C14 | C15 | H142 | 120.6° | 120.1° |
| C2 | C14 | C15 | C16 | 76.7° | 180.0° |
| C14 | C2 | N | C21 | 9.3° | 0.1° |
| C14 | C2 | C1 | H1 | 8.6° | 0.3° |
| C2 | C14 | H141 | H142 | 118.2° | 120.0° |
| C2 | C14 | C15 | H151 | 163.0° | 60.0° |
| C2 | C14 | C15 | H152 | 43.7° | 60.0° |
| C2 | N | C4 | C5 | 3.0° | 0.0° |
| C2 | N | C4 | C21 | 178.5° | 179.9° |
| N | C2 | C14 | C15 | 62.1° | 87.7° |
| N | C2 | C1 | H1 | 179.5° | 179.8° |
| N | C2 | C14 | H141 | 177.3° | 152.3° |
| N | C2 | C14 | H142 | 58.5° | 32.3° |
| C2 | N | C4 | H4 | 177.0° | 179.9° |
| C2 | N | C21 | H211 | 180.0° | 85.1° |
| C2 | N | C21 | H212 | 60.0° | 154.8° |
| C2 | N | C21 | H213 | 60.0° | 34.8° |
| C5 | C4 | N | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | O7 | 176.6° | 179.9° |
| C4 | C5 | C6 | O17 | 177.5° | 180.0° |
| C4 | C5 | O7 | C8 | 92.5° | 112.2° |
| C5 | C4 | N | C21 | 178.5° | 179.9° |
| N | C4 | C5 | C6 | 1.3° | 0.1° |
| N | C4 | C5 | O7 | 177.7° | 180.0° |
| C4 | N | C21 | H211 | 1.5° | 94.8° |
| C4 | N | C21 | H212 | 121.4° | 25.3° |
| C4 | N | C21 | H213 | 118.5° | 145.2° |
| C6 | C5 | O7 | C8 | 90.8° | 67.7° |
| C5 | C6 | C1 | H1 | 178.9° | 179.7° |
| C6 | C5 | C4 | H4 | 178.7° | 180.0° |
| O7 | C5 | C6 | O17 | 0.9° | 0.0° |
| C5 | O7 | C8 | C9 | 161.8° | 174.5° |
| C5 | O7 | C8 | C13 | 17.0° | 5.2° |
| O7 | C5 | C4 | H4 | 2.4° | 0.1° |
| O17 | C6 | C1 | H1 | 2.3° | 0.3° |
| C9 | C8 | C13 | O7 | 178.7° | 179.7° |
| C8 | C9 | C10 | C80 | 178.6° | 180.0° |
| C8 | C9 | C10 | C11 | 1.8° | 0.1° |
| C9 | C8 | C13 | C12 | 2.2° | 0.1° |
| C9 | C8 | C13 | H13 | 177.8° | 180.0° |
| C8 | C9 | C10 | H10 | 178.2° | 180.0° |
| C8 | C9 | C80 | H801 | 90.7° | 89.9° |
| C8 | C9 | C80 | H802 | 149.2° | 150.0° |
| C8 | C9 | C80 | H803 | 29.3° | 30.0° |
| C13 | C8 | C9 | C10 | 3.8° | 0.0° |
| C13 | C8 | C9 | C80 | 174.8° | 180.0° |
| C8 | C13 | C12 | C11 | 1.5° | 0.1° |
| C8 | C13 | C12 | H13 | 180.0° | 179.9° |
| C8 | C13 | C12 | H12 | 178.5° | 179.9° |
| O7 | C8 | C9 | C10 | 177.4° | 179.7° |
| O7 | C8 | C9 | C80 | 4.0° | 0.3° |
| O7 | C8 | C13 | C12 | 179.1° | 179.8° |
| O7 | C8 | C13 | H13 | 0.9° | 0.3° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 1.7° | 0.0° |
| C10 | C9 | C80 | H801 | 90.8° | 90.0° |
| C10 | C9 | C80 | H802 | 29.3° | 30.0° |
| C10 | C9 | C80 | H803 | 149.2° | 150.0° |
| C9 | C10 | C11 | H11 | 178.2° | 179.9° |
| C80 | C9 | C10 | C11 | 176.7° | 180.0° |
| C80 | C9 | C10 | H10 | 3.3° | 0.1° |
| C9 | C80 | H801 | H802 | 120.0° | 120.0° |
| C9 | C80 | H801 | H803 | 120.0° | 120.0° |
| C9 | C80 | H802 | H803 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 3.4° | 0.0° |
| C10 | C11 | C12 | H12 | 176.6° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 178.5° | 180.0° |
| C12 | C11 | C10 | H10 | 178.2° | 179.9° |
| C13 | C12 | C11 | H11 | 176.5° | 180.0° |
| C14 | C15 | C16 | H151 | 120.4° | 120.0° |
| C14 | C15 | C16 | H152 | 120.4° | 120.0° |
| C14 | C15 | C16 | C17 | 143.3° | 180.0° |
| C15 | C14 | H141 | H142 | 118.3° | 119.9° |
| C14 | C15 | H151 | H152 | 118.9° | 120.0° |
| C14 | C15 | C16 | H161 | 96.6° | 60.0° |
| C14 | C15 | C16 | H162 | 23.1° | 60.0° |
| C15 | C16 | C17 | H161 | 120.1° | 120.0° |
| C15 | C16 | C17 | H162 | 120.1° | 120.0° |
| C15 | C16 | C17 | C18 | 149.9° | 180.0° |
| C16 | C15 | C14 | H141 | 43.9° | 59.9° |
| C16 | C15 | C14 | H142 | 162.7° | 60.0° |
| C16 | C15 | H151 | H152 | 118.9° | 120.0° |
| C15 | C16 | H161 | H162 | 119.5° | 120.0° |
| C15 | C16 | C17 | H171 | 89.6° | 60.0° |
| C15 | C16 | C17 | H172 | 29.3° | 60.0° |
| C16 | C17 | C18 | H171 | 120.6° | 120.0° |
| C16 | C17 | C18 | H172 | 120.6° | 120.0° |
| C16 | C17 | C18 | C19 | 175.5° | 180.0° |
| C17 | C16 | C15 | H151 | 22.9° | 60.0° |
| C17 | C16 | C15 | H152 | 96.4° | 60.0° |
| C17 | C16 | H161 | H162 | 119.6° | 120.0° |
| C16 | C17 | H171 | H172 | 118.2° | 120.0° |
| C16 | C17 | C18 | H181 | 64.0° | 60.0° |
| C16 | C17 | C18 | H182 | 54.9° | 60.0° |
| C17 | C18 | C19 | H181 | 120.5° | 120.0° |
| C17 | C18 | C19 | H182 | 120.5° | 120.0° |
| C18 | C17 | C16 | H161 | 29.7° | 60.0° |
| C18 | C17 | C16 | H162 | 90.0° | 60.0° |
| C18 | C17 | H171 | H172 | 118.2° | 120.0° |
| C17 | C18 | H181 | H182 | 118.3° | 120.0° |
| C17 | C18 | C19 | H191 | 180.0° | 60.0° |
| C17 | C18 | C19 | H192 | 60.0° | 60.0° |
| C17 | C18 | C19 | H193 | 60.0° | 180.0° |
| C19 | C18 | C17 | H171 | 54.9° | 60.0° |
| C19 | C18 | C17 | H172 | 63.9° | 60.0° |
| C19 | C18 | H181 | H182 | 118.3° | 120.1° |
| C18 | C19 | H191 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C21 | N | C4 | H4 | 1.5° | 0.0° |
| N | C21 | H211 | H212 | 120.0° | 120.1° |
| N | C21 | H211 | H213 | 120.0° | 120.0° |
| N | C21 | H212 | H213 | 120.0° | 120.0° |
| H141 | C14 | C15 | H151 | 76.5° | 180.0° |
| H141 | C14 | C15 | H152 | 164.2° | 60.1° |
| H142 | C14 | C15 | H151 | 42.4° | 60.1° |
| H142 | C14 | C15 | H152 | 76.9° | 180.0° |
| H13 | C13 | C12 | H12 | 1.5° | 0.0° |
| H10 | C10 | C11 | H11 | 1.8° | 0.0° |
| H801 | C80 | H802 | H803 | 119.9° | 120.0° |
| H11 | C11 | C12 | H12 | 3.5° | 0.0° |
| H151 | C15 | C16 | H161 | 143.0° | 179.9° |
| H151 | C15 | C16 | H162 | 97.3° | 60.0° |
| H152 | C15 | C16 | H161 | 23.8° | 60.0° |
| H152 | C15 | C16 | H162 | 143.5° | 180.0° |
| H161 | C16 | C17 | H171 | 150.3° | 180.0° |
| H161 | C16 | C17 | H172 | 90.8° | 60.0° |
| H162 | C16 | C17 | H171 | 30.6° | 60.0° |
| H162 | C16 | C17 | H172 | 149.5° | 180.0° |
| H171 | C17 | C18 | H181 | 175.4° | 180.0° |
| H171 | C17 | C18 | H182 | 65.7° | 60.0° |
| H172 | C17 | C18 | H181 | 56.6° | 60.0° |
| H172 | C17 | C18 | H182 | 175.5° | 180.0° |
| H181 | C18 | C19 | H191 | 59.5° | 180.0° |
| H181 | C18 | C19 | H192 | 179.5° | 60.0° |
| H181 | C18 | C19 | H193 | 60.5° | 60.0° |
| H182 | C18 | C19 | H191 | 59.4° | 60.0° |
| H182 | C18 | C19 | H192 | 60.6° | 180.0° |
| H182 | C18 | C19 | H193 | 179.5° | 60.0° |
| H191 | C19 | H192 | H193 | 119.9° | 120.0° |
| H211 | C21 | H212 | H213 | 120.0° | 119.9° |
