EV1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | O24 | sing | 1.43Å | 1.43Å | |
| O24 | C16 | sing | 1.36Å | 1.38Å | |
| C16 | C15 | sing | 1.39Å | 1.50Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | O22 | sing | 1.36Å | 1.38Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| O22 | C23 | sing | 1.43Å | 1.43Å | |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | N9 | sing | 1.31Å | 1.36Å | Aromatic |
| C10 | C3 | doub | 1.40Å | 1.50Å | Aromatic |
| N9 | C8 | doub | 1.33Å | 1.35Å | Aromatic |
| C8 | C7 | sing | 1.36Å | 1.40Å | Aromatic |
| C7 | C2 | doub | 1.41Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.42Å | 1.49Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C5 | O20 | sing | 1.36Å | 1.37Å | |
| C5 | C6 | sing | 1.40Å | 1.50Å | Aromatic |
| O20 | C21 | sing | 1.43Å | 1.43Å | |
| C6 | C1 | doub | 1.37Å | 1.40Å | Aromatic |
| C6 | O18 | sing | 1.36Å | 1.38Å | |
| O18 | C19 | sing | 1.43Å | 1.43Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | O24 | C16 | 125.0° | 117.0° |
| O24 | C25 | H251 | 109.5° | 109.4° |
| O24 | C25 | H252 | 109.5° | 109.4° |
| O24 | C25 | H253 | 109.5° | 109.5° |
| O24 | C16 | C15 | 122.0° | 120.1° |
| O24 | C16 | C17 | 118.8° | 120.1° |
| C15 | C16 | C17 | 119.2° | 119.8° |
| C16 | C15 | O22 | 121.2° | 120.0° |
| C16 | C15 | C14 | 118.1° | 119.9° |
| C16 | C17 | C12 | 120.3° | 120.0° |
| C16 | C17 | H17 | 119.8° | 120.0° |
| O22 | C15 | C14 | 120.8° | 120.1° |
| C15 | O22 | C23 | 122.8° | 117.0° |
| C15 | C14 | C13 | 120.4° | 120.0° |
| C15 | C14 | H14 | 119.8° | 120.0° |
| O22 | C23 | H231 | 109.5° | 109.4° |
| O22 | C23 | H232 | 109.4° | 109.5° |
| O22 | C23 | H233 | 109.5° | 109.4° |
| C14 | C13 | C12 | 121.8° | 120.2° |
| C13 | C14 | H14 | 119.8° | 120.0° |
| C14 | C13 | H13 | 119.1° | 120.0° |
| C13 | C12 | C17 | 120.2° | 120.1° |
| C13 | C12 | C11 | 118.1° | 119.9° |
| C12 | C13 | H13 | 119.1° | 119.9° |
| C17 | C12 | C11 | 121.6° | 120.0° |
| C12 | C17 | H17 | 119.8° | 120.0° |
| C12 | C11 | C10 | 116.1° | 109.4° |
| C12 | C11 | H111 | 107.3° | 109.5° |
| C12 | C11 | H112 | 105.8° | 109.5° |
| C11 | C10 | N9 | 117.5° | 120.0° |
| C11 | C10 | C3 | 124.5° | 120.0° |
| C10 | C11 | H111 | 107.3° | 109.5° |
| C10 | C11 | H112 | 105.8° | 109.5° |
| N9 | C10 | C3 | 118.0° | 119.9° |
| C10 | N9 | C8 | 123.0° | 122.8° |
| C10 | C3 | C2 | 117.4° | 118.6° |
| C10 | C3 | C4 | 123.5° | 122.0° |
| N9 | C8 | C7 | 122.9° | 121.8° |
| N9 | C8 | H8 | 118.5° | 119.1° |
| C8 | C7 | C2 | 120.2° | 118.7° |
| C7 | C8 | H8 | 118.5° | 119.1° |
| C8 | C7 | H7 | 119.9° | 120.6° |
| C7 | C2 | C3 | 118.5° | 118.2° |
| C7 | C2 | C1 | 120.8° | 122.1° |
| C2 | C7 | H7 | 119.9° | 120.6° |
| C3 | C2 | C1 | 120.8° | 119.7° |
| C2 | C3 | C4 | 119.1° | 119.4° |
| C2 | C1 | C6 | 120.1° | 119.5° |
| C2 | C1 | H1 | 120.0° | 120.2° |
| C3 | C4 | C5 | 120.7° | 119.6° |
| C3 | C4 | H4 | 119.6° | 120.2° |
| C4 | C5 | O20 | 119.3° | 119.6° |
| C4 | C5 | C6 | 120.1° | 120.9° |
| C5 | C4 | H4 | 119.7° | 120.2° |
| O20 | C5 | C6 | 120.6° | 119.5° |
| C5 | O20 | C21 | 121.7° | 117.0° |
| C5 | C6 | C1 | 119.3° | 120.9° |
| C5 | C6 | O18 | 119.8° | 119.6° |
| O20 | C21 | H211 | 109.5° | 109.4° |
| O20 | C21 | H212 | 109.5° | 109.5° |
| O20 | C21 | H213 | 109.4° | 109.5° |
| C1 | C6 | O18 | 120.9° | 119.6° |
| C6 | C1 | H1 | 120.0° | 120.3° |
| C6 | O18 | C19 | 123.0° | 117.0° |
| O18 | C19 | H191 | 109.5° | 109.5° |
| O18 | C19 | H192 | 109.5° | 109.5° |
| O18 | C19 | H193 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.4° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| H111 | C11 | H112 | 114.8° | 109.4° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.4° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H191 | C19 | H193 | 109.5° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | O24 | C16 | C15 | 38.5° | 180.0° |
| C25 | O24 | C16 | C17 | 142.8° | 0.2° |
| O24 | C25 | H251 | H252 | 120.0° | 119.9° |
| O24 | C25 | H251 | H253 | 120.0° | 120.0° |
| O24 | C25 | H252 | H253 | 120.0° | 120.0° |
| O24 | C16 | C15 | C17 | 178.7° | 179.7° |
| O24 | C16 | C15 | O22 | 1.3° | 0.0° |
| O24 | C16 | C15 | C14 | 179.4° | 180.0° |
| O24 | C16 | C17 | C12 | 179.0° | 179.7° |
| C16 | O24 | C25 | H251 | 90.0° | 60.0° |
| C16 | O24 | C25 | H252 | 150.0° | 59.9° |
| C16 | O24 | C25 | H253 | 29.9° | 180.0° |
| O24 | C16 | C17 | H17 | 1.0° | 0.1° |
| C16 | C15 | O22 | C14 | 179.3° | 180.0° |
| C16 | C15 | O22 | C23 | 151.8° | 180.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.0° |
| C15 | C16 | C17 | C12 | 0.3° | 0.5° |
| C15 | C16 | C17 | H17 | 179.7° | 179.7° |
| C16 | C15 | C14 | H14 | 179.7° | 180.0° |
| C17 | C16 | C15 | O22 | 180.0° | 179.7° |
| C17 | C16 | C15 | C14 | 0.7° | 0.3° |
| C16 | C17 | C12 | C13 | 0.5° | 0.5° |
| C16 | C17 | C12 | H17 | 180.0° | 179.8° |
| C16 | C17 | C12 | C11 | 179.3° | 179.7° |
| O22 | C15 | C14 | C13 | 179.6° | 180.0° |
| O22 | C15 | C14 | H14 | 0.4° | 0.0° |
| C15 | O22 | C23 | H231 | 78.4° | 60.0° |
| C15 | O22 | C23 | H232 | 41.6° | 60.0° |
| C15 | O22 | C23 | H233 | 161.6° | 180.0° |
| C14 | C15 | O22 | C23 | 28.8° | 0.0° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.6° | 0.0° |
| C15 | C14 | C13 | H13 | 179.5° | 180.0° |
| O22 | C23 | H231 | H232 | 120.0° | 120.0° |
| O22 | C23 | H231 | H233 | 120.0° | 120.0° |
| O22 | C23 | H232 | H233 | 120.0° | 120.0° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 1.0° | 0.3° |
| C14 | C13 | C12 | C11 | 179.8° | 179.9° |
| C13 | C12 | C17 | C11 | 178.8° | 179.8° |
| C13 | C12 | C11 | C10 | 116.1° | 90.0° |
| C13 | C12 | C17 | H17 | 179.5° | 179.7° |
| C12 | C13 | C14 | H14 | 179.4° | 180.0° |
| C13 | C12 | C11 | H111 | 3.9° | 149.9° |
| C13 | C12 | C11 | H112 | 127.0° | 30.0° |
| C17 | C12 | C11 | C10 | 65.1° | 89.7° |
| C17 | C12 | C13 | H13 | 179.0° | 179.7° |
| C17 | C12 | C11 | H111 | 174.9° | 30.3° |
| C17 | C12 | C11 | H112 | 51.9° | 150.2° |
| C12 | C11 | C10 | H111 | 120.0° | 120.0° |
| C12 | C11 | C10 | H112 | 117.0° | 120.0° |
| C12 | C11 | C10 | N9 | 137.3° | 90.0° |
| C12 | C11 | C10 | C3 | 44.0° | 90.3° |
| C11 | C12 | C17 | H17 | 0.7° | 0.1° |
| C11 | C12 | C13 | H13 | 0.2° | 0.0° |
| C12 | C11 | H111 | H112 | 117.3° | 120.0° |
| C11 | C10 | N9 | C3 | 178.8° | 179.6° |
| C11 | C10 | N9 | C8 | 179.4° | 179.9° |
| C11 | C10 | C3 | C2 | 179.5° | 179.8° |
| C11 | C10 | C3 | C4 | 1.1° | 0.1° |
| C10 | C11 | H111 | H112 | 117.2° | 120.1° |
| C10 | N9 | C8 | C7 | 0.1° | 0.0° |
| N9 | C10 | C3 | C2 | 0.8° | 0.6° |
| N9 | C10 | C3 | C4 | 179.8° | 179.7° |
| N9 | C10 | C11 | H111 | 102.7° | 29.9° |
| N9 | C10 | C11 | H112 | 20.3° | 149.9° |
| C10 | N9 | C8 | H8 | 180.0° | 179.9° |
| C3 | C10 | N9 | C8 | 0.6° | 0.3° |
| C10 | C3 | C2 | C7 | 0.5° | 0.5° |
| C10 | C3 | C2 | C4 | 179.4° | 179.8° |
| C10 | C3 | C2 | C1 | 179.3° | 179.7° |
| C10 | C3 | C4 | C5 | 179.6° | 180.0° |
| C3 | C10 | C11 | H111 | 76.0° | 149.7° |
| C3 | C10 | C11 | H112 | 161.0° | 29.7° |
| C10 | C3 | C4 | H4 | 0.4° | 0.0° |
| N9 | C8 | C7 | H8 | 180.0° | 179.9° |
| N9 | C8 | C7 | C2 | 0.3° | 0.1° |
| N9 | C8 | C7 | H7 | 179.7° | 180.0° |
| C8 | C7 | C2 | H7 | 180.0° | 180.0° |
| C8 | C7 | C2 | C3 | 0.0° | 0.2° |
| C8 | C7 | C2 | C1 | 179.8° | 180.0° |
| C7 | C2 | C3 | C1 | 179.8° | 179.8° |
| C7 | C2 | C3 | C4 | 179.9° | 179.7° |
| C7 | C2 | C1 | C6 | 179.9° | 179.2° |
| C2 | C7 | C8 | H8 | 179.7° | 180.0° |
| C7 | C2 | C1 | H1 | 0.2° | 0.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.2° |
| C3 | C2 | C1 | C6 | 0.1° | 0.6° |
| C3 | C2 | C7 | H7 | 180.0° | 179.8° |
| C3 | C2 | C1 | H1 | 179.9° | 179.7° |
| C2 | C3 | C4 | H4 | 179.8° | 179.8° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.8° |
| C2 | C1 | C6 | H1 | 180.0° | 179.2° |
| C2 | C1 | C6 | O18 | 179.3° | 179.7° |
| C1 | C2 | C7 | H7 | 0.2° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | O20 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C4 | C5 | O20 | C6 | 179.2° | 180.0° |
| C4 | C5 | O20 | C21 | 48.2° | 0.0° |
| C4 | C5 | C6 | C1 | 0.7° | 0.5° |
| C4 | C5 | C6 | O18 | 179.7° | 180.0° |
| O20 | C5 | C6 | C1 | 179.9° | 179.4° |
| O20 | C5 | C6 | O18 | 1.1° | 0.1° |
| O20 | C5 | C4 | H4 | 0.2° | 0.0° |
| C5 | O20 | C21 | H211 | 18.6° | 180.0° |
| C5 | O20 | C21 | H212 | 101.4° | 60.0° |
| C5 | O20 | C21 | H213 | 138.6° | 60.0° |
| C6 | C5 | O20 | C21 | 132.5° | 180.0° |
| C5 | C6 | C1 | O18 | 179.0° | 179.5° |
| C5 | C6 | O18 | C19 | 142.7° | 180.0° |
| C5 | C6 | C1 | H1 | 179.7° | 180.0° |
| C6 | C5 | C4 | H4 | 179.4° | 180.0° |
| O20 | C21 | H211 | H212 | 120.0° | 120.0° |
| O20 | C21 | H211 | H213 | 119.9° | 120.0° |
| O20 | C21 | H212 | H213 | 120.0° | 120.0° |
| C1 | C6 | O18 | C19 | 38.3° | 0.5° |
| O18 | C6 | C1 | H1 | 0.7° | 0.5° |
| C6 | O18 | C19 | H191 | 157.2° | 60.1° |
| C6 | O18 | C19 | H192 | 82.8° | 180.0° |
| C6 | O18 | C19 | H193 | 37.2° | 59.9° |
| O18 | C19 | H191 | H192 | 120.0° | 120.0° |
| O18 | C19 | H191 | H193 | 120.0° | 120.0° |
| O18 | C19 | H192 | H193 | 120.0° | 120.1° |
| H251 | C25 | H252 | H253 | 120.0° | 120.1° |
| H14 | C14 | C13 | H13 | 0.6° | 0.0° |
| H231 | C23 | H232 | H233 | 120.0° | 120.1° |
| H8 | C8 | C7 | H7 | 0.3° | 0.1° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 119.9° |
