E7V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C1 | sing | 1.89Å | 1.89Å | |
| O13 | C11 | doub | 1.22Å | 1.26Å | |
| C1 | C6 | doub | 1.36Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C2 | sing | 1.41Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.38Å | Aromatic |
| C11 | C8 | sing | 1.47Å | 1.50Å | |
| C11 | O12 | sing | 1.35Å | 1.25Å | |
| C8 | N9 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | S15 | sing | 1.76Å | 1.71Å | |
| C3 | N9 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| N9 | C14 | sing | 1.47Å | 1.48Å | |
| S15 | C16 | sing | 1.76Å | 1.70Å | |
| C14 | C24 | sing | 1.51Å | 1.51Å | |
| C29 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | N32 | sing | 1.47Å | 1.46Å | |
| C27 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | C30 | sing | 1.48Å | 1.51Å | |
| C20 | CL2 | sing | 1.74Å | 1.81Å | |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| N32 | C33 | sing | 1.46Å | 1.47Å | |
| N32 | C30 | sing | 1.35Å | 1.35Å | |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | O31 | doub | 1.22Å | 1.22Å | |
| C19 | CL1 | sing | 1.74Å | 1.80Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| O12 | H7 | sing | 0.97Å | 0.95Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C1 | C6 | 120.7° | 120.0° |
| BR1 | C1 | C2 | 119.0° | 120.1° |
| O13 | C11 | C8 | 119.2° | 120.0° |
| O13 | C11 | O12 | 121.6° | 120.0° |
| C6 | C1 | C2 | 120.3° | 119.9° |
| C1 | C6 | C5 | 119.8° | 120.5° |
| C1 | C6 | H3 | 120.1° | 119.7° |
| C1 | C2 | C7 | 132.9° | 133.2° |
| C1 | C2 | C3 | 120.4° | 119.8° |
| C2 | C7 | C8 | 108.1° | 107.8° |
| C7 | C2 | C3 | 106.7° | 107.0° |
| C2 | C7 | H2 | 125.9° | 126.1° |
| C7 | C8 | C11 | 121.6° | 125.5° |
| C7 | C8 | N9 | 107.1° | 109.1° |
| C8 | C7 | H2 | 126.0° | 126.1° |
| C6 | C5 | C4 | 118.5° | 120.5° |
| C6 | C5 | S15 | 120.8° | 119.8° |
| C5 | C6 | H3 | 120.1° | 119.8° |
| C2 | C3 | N9 | 108.3° | 107.4° |
| C2 | C3 | C4 | 118.8° | 119.6° |
| C8 | C11 | O12 | 119.2° | 120.0° |
| C11 | C8 | N9 | 131.2° | 125.5° |
| C11 | O12 | H7 | 109.5° | 117.0° |
| C8 | N9 | C3 | 109.8° | 108.7° |
| C8 | N9 | C14 | 129.4° | 125.7° |
| C4 | C5 | S15 | 120.8° | 119.7° |
| C5 | C4 | C3 | 122.2° | 119.8° |
| C5 | C4 | H1 | 118.9° | 120.1° |
| C5 | S15 | C16 | 113.7° | 103.0° |
| N9 | C3 | C4 | 132.9° | 133.1° |
| C3 | N9 | C14 | 120.8° | 125.6° |
| C3 | C4 | H1 | 118.9° | 120.1° |
| N9 | C14 | C24 | 117.4° | 109.5° |
| N9 | C14 | H8 | 107.5° | 109.4° |
| N9 | C14 | H9 | 107.5° | 109.4° |
| S15 | C16 | C21 | 121.7° | 120.1° |
| S15 | C16 | C17 | 119.4° | 120.1° |
| C14 | C24 | C29 | 120.1° | 119.9° |
| C14 | C24 | C25 | 120.2° | 119.9° |
| C24 | C14 | H8 | 107.4° | 109.5° |
| C24 | C14 | H9 | 107.4° | 109.5° |
| C24 | C29 | C28 | 120.0° | 120.2° |
| C29 | C24 | C25 | 119.7° | 120.2° |
| C24 | C29 | H12 | 120.0° | 119.9° |
| C29 | C28 | C27 | 120.4° | 119.9° |
| C28 | C29 | H12 | 120.0° | 119.9° |
| C29 | C28 | H13 | 119.8° | 120.1° |
| C24 | C25 | C26 | 119.8° | 120.2° |
| C24 | C25 | H10 | 120.1° | 120.0° |
| C21 | C16 | C17 | 118.9° | 119.9° |
| C16 | C21 | C20 | 121.6° | 119.9° |
| C16 | C21 | H4 | 119.2° | 120.0° |
| C16 | C17 | C18 | 119.9° | 119.9° |
| C16 | C17 | H6 | 120.1° | 120.0° |
| C21 | C20 | CL2 | 119.2° | 120.0° |
| C21 | C20 | C19 | 119.0° | 120.0° |
| C20 | C21 | H4 | 119.2° | 120.1° |
| C28 | C27 | C26 | 119.2° | 119.7° |
| C28 | C27 | C30 | 123.7° | 120.2° |
| C27 | C28 | H13 | 119.8° | 120.0° |
| C25 | C26 | C27 | 120.9° | 119.9° |
| C26 | C25 | H10 | 120.1° | 119.9° |
| C25 | C26 | H11 | 119.6° | 120.1° |
| C17 | C18 | C19 | 121.0° | 120.1° |
| C17 | C18 | H5 | 119.5° | 119.9° |
| C18 | C17 | H6 | 120.1° | 120.1° |
| C34 | N32 | C33 | 113.3° | 120.0° |
| C34 | N32 | C30 | 122.2° | 120.0° |
| N32 | C34 | H17 | 109.5° | 109.5° |
| N32 | C34 | H18 | 109.5° | 109.5° |
| N32 | C34 | H19 | 109.5° | 109.5° |
| C26 | C27 | C30 | 117.1° | 120.1° |
| C27 | C26 | H11 | 119.6° | 120.1° |
| C27 | C30 | N32 | 120.9° | 120.0° |
| C27 | C30 | O31 | 116.7° | 120.0° |
| CL2 | C20 | C19 | 121.7° | 120.0° |
| C20 | C19 | C18 | 119.6° | 120.1° |
| C20 | C19 | CL1 | 121.2° | 119.9° |
| C33 | N32 | C30 | 124.5° | 120.0° |
| N32 | C33 | H14 | 109.5° | 109.5° |
| N32 | C33 | H15 | 109.5° | 109.4° |
| N32 | C33 | H16 | 109.4° | 109.4° |
| N32 | C30 | O31 | 122.3° | 120.0° |
| C18 | C19 | CL1 | 119.3° | 119.9° |
| C19 | C18 | H5 | 119.5° | 120.0° |
| H8 | C14 | H9 | 109.5° | 109.4° |
| H14 | C33 | H15 | 109.5° | 109.5° |
| H14 | C33 | H16 | 109.4° | 109.5° |
| H15 | C33 | H16 | 109.5° | 109.5° |
| H17 | C34 | H18 | 109.5° | 109.5° |
| H17 | C34 | H19 | 109.5° | 109.4° |
| H18 | C34 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C1 | C6 | C2 | 179.8° | 180.0° |
| BR1 | C1 | C2 | C7 | 0.1° | 0.3° |
| BR1 | C1 | C6 | C5 | 180.0° | 179.5° |
| BR1 | C1 | C2 | C3 | 179.8° | 180.0° |
| BR1 | C1 | C6 | H3 | 0.1° | 0.3° |
| O13 | C11 | C8 | C7 | 90.2° | 0.1° |
| O13 | C11 | C8 | O12 | 178.2° | 180.0° |
| O13 | C11 | C8 | N9 | 90.0° | 180.0° |
| O13 | C11 | O12 | H7 | 0.0° | 0.0° |
| C6 | C1 | C2 | C7 | 179.8° | 179.7° |
| C1 | C6 | C5 | H3 | 180.0° | 179.3° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | C6 | C5 | C4 | 0.5° | 0.7° |
| C1 | C6 | C5 | S15 | 179.9° | 179.7° |
| C1 | C2 | C7 | C3 | 179.9° | 179.7° |
| C1 | C2 | C7 | C8 | 179.8° | 179.7° |
| C2 | C1 | C6 | C5 | 0.3° | 0.5° |
| C1 | C2 | C3 | N9 | 179.7° | 179.8° |
| C1 | C2 | C3 | C4 | 0.1° | 0.2° |
| C1 | C2 | C7 | H2 | 0.2° | 0.4° |
| C2 | C1 | C6 | H3 | 179.7° | 179.7° |
| C2 | C7 | C8 | H2 | 180.0° | 179.9° |
| C2 | C7 | C8 | C11 | 179.7° | 180.0° |
| C2 | C7 | C8 | N9 | 0.4° | 0.1° |
| C7 | C2 | C3 | N9 | 0.4° | 0.0° |
| C7 | C2 | C3 | C4 | 180.0° | 180.0° |
| C8 | C7 | C2 | C3 | 0.0° | 0.0° |
| C7 | C8 | C11 | N9 | 179.9° | 179.9° |
| C7 | C8 | C11 | O12 | 88.0° | 179.9° |
| C7 | C8 | N9 | C3 | 0.6° | 0.1° |
| C7 | C8 | N9 | C14 | 179.3° | 180.0° |
| C6 | C5 | C4 | S15 | 179.4° | 179.6° |
| C6 | C5 | C4 | C3 | 0.4° | 0.5° |
| C6 | C5 | S15 | C16 | 145.8° | 85.6° |
| C6 | C5 | C4 | H1 | 179.6° | 179.5° |
| C2 | C3 | N9 | C8 | 0.6° | 0.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | N9 | C4 | 179.6° | 180.0° |
| C2 | C3 | N9 | C14 | 179.4° | 180.0° |
| C2 | C3 | C4 | H1 | 179.9° | 180.0° |
| C3 | C2 | C7 | H2 | 180.0° | 179.9° |
| C11 | C8 | N9 | C3 | 179.5° | 180.0° |
| C11 | C8 | N9 | C14 | 0.8° | 0.1° |
| C11 | C8 | C7 | H2 | 0.3° | 0.1° |
| C8 | C11 | O12 | H7 | 178.1° | 180.0° |
| O12 | C11 | C8 | N9 | 91.9° | 0.0° |
| C8 | N9 | C3 | C14 | 178.8° | 179.9° |
| C8 | N9 | C3 | C4 | 179.8° | 180.0° |
| C8 | N9 | C14 | C24 | 29.6° | 90.0° |
| N9 | C8 | C7 | H2 | 179.6° | 180.0° |
| C8 | N9 | C14 | H8 | 91.5° | 149.9° |
| C8 | N9 | C14 | H9 | 150.8° | 30.0° |
| C5 | C4 | C3 | N9 | 179.4° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 180.0° |
| C4 | C5 | S15 | C16 | 34.9° | 94.8° |
| C4 | C5 | C6 | H3 | 179.5° | 180.0° |
| S15 | C5 | C4 | C3 | 179.8° | 180.0° |
| C5 | S15 | C16 | C21 | 65.2° | 5.6° |
| C5 | S15 | C16 | C17 | 115.6° | 174.1° |
| S15 | C5 | C4 | H1 | 0.2° | 0.1° |
| S15 | C5 | C6 | H3 | 0.1° | 0.5° |
| C3 | N9 | C14 | C24 | 151.8° | 90.0° |
| N9 | C3 | C4 | H1 | 0.6° | 0.0° |
| C3 | N9 | C14 | H8 | 87.1° | 30.0° |
| C3 | N9 | C14 | H9 | 30.6° | 150.0° |
| C4 | C3 | N9 | C14 | 0.9° | 0.0° |
| N9 | C14 | C24 | H8 | 121.1° | 120.0° |
| N9 | C14 | C24 | H9 | 121.2° | 120.0° |
| N9 | C14 | C24 | C29 | 120.6° | 90.3° |
| N9 | C14 | C24 | C25 | 60.7° | 90.0° |
| N9 | C14 | H8 | H9 | 116.4° | 119.9° |
| S15 | C16 | C21 | C17 | 179.2° | 179.7° |
| S15 | C16 | C21 | C20 | 179.6° | 180.0° |
| S15 | C16 | C17 | C18 | 179.4° | 180.0° |
| S15 | C16 | C21 | H4 | 0.5° | 0.0° |
| S15 | C16 | C17 | H6 | 0.7° | 0.0° |
| C14 | C24 | C29 | C25 | 178.7° | 179.7° |
| C14 | C24 | C29 | C28 | 179.5° | 180.0° |
| C14 | C24 | C25 | C26 | 179.6° | 180.0° |
| C24 | C14 | H8 | H9 | 116.4° | 120.0° |
| C14 | C24 | C25 | H10 | 0.4° | 0.1° |
| C14 | C24 | C29 | H12 | 0.5° | 0.0° |
| C24 | C29 | C28 | H12 | 180.0° | 180.0° |
| C24 | C29 | C28 | C27 | 0.1° | 0.0° |
| C29 | C24 | C25 | C26 | 0.9° | 0.3° |
| C29 | C24 | C14 | H8 | 0.6° | 149.7° |
| C29 | C24 | C14 | H9 | 118.3° | 29.7° |
| C29 | C24 | C25 | H10 | 179.1° | 179.8° |
| C24 | C29 | C28 | H13 | 179.9° | 180.0° |
| C28 | C29 | C24 | C25 | 0.8° | 0.3° |
| C29 | C28 | C27 | H13 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.4° | 0.2° |
| C29 | C28 | C27 | C30 | 179.8° | 180.0° |
| C24 | C25 | C26 | H10 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C25 | C24 | C14 | H8 | 178.2° | 30.0° |
| C25 | C24 | C14 | H9 | 60.5° | 150.0° |
| C24 | C25 | C26 | H11 | 179.7° | 180.0° |
| C25 | C24 | C29 | H12 | 179.3° | 179.7° |
| C16 | C21 | C20 | H4 | 180.0° | 180.0° |
| C21 | C16 | C17 | C18 | 0.1° | 0.3° |
| C16 | C21 | C20 | CL2 | 179.4° | 180.0° |
| C16 | C21 | C20 | C19 | 1.2° | 0.0° |
| C21 | C16 | C17 | H6 | 179.9° | 179.8° |
| C17 | C16 | C21 | C20 | 1.2° | 0.3° |
| C16 | C17 | C18 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.0° | 0.0° |
| C17 | C16 | C21 | H4 | 178.8° | 179.7° |
| C16 | C17 | C18 | H5 | 179.0° | 180.0° |
| C21 | C20 | CL2 | C19 | 179.4° | 180.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.2° |
| C21 | C20 | C19 | CL1 | 179.6° | 180.0° |
| C28 | C27 | C26 | C25 | 0.3° | 0.2° |
| C28 | C27 | C26 | C30 | 179.7° | 179.8° |
| C28 | C27 | C30 | N32 | 90.1° | 41.4° |
| C28 | C27 | C30 | O31 | 92.2° | 138.6° |
| C28 | C27 | C26 | H11 | 179.6° | 179.8° |
| C27 | C28 | C29 | H12 | 179.9° | 179.9° |
| C25 | C26 | C27 | H11 | 180.0° | 180.0° |
| C25 | C26 | C27 | C30 | 179.9° | 180.0° |
| C17 | C18 | C19 | C20 | 1.0° | 0.2° |
| C17 | C18 | C19 | H5 | 180.0° | 180.0° |
| C17 | C18 | C19 | CL1 | 179.3° | 180.0° |
| C34 | N32 | C30 | C27 | 40.8° | 4.5° |
| C34 | N32 | C33 | C30 | 179.4° | 180.0° |
| C34 | N32 | C30 | O31 | 136.8° | 175.5° |
| C34 | N32 | C33 | H14 | 180.0° | 90.0° |
| C34 | N32 | C33 | H15 | 60.0° | 30.0° |
| C34 | N32 | C33 | H16 | 60.0° | 150.0° |
| N32 | C34 | H17 | H18 | 120.0° | 120.0° |
| N32 | C34 | H17 | H19 | 120.0° | 120.0° |
| N32 | C34 | H18 | H19 | 120.0° | 120.0° |
| C26 | C27 | C30 | N32 | 90.2° | 138.8° |
| C26 | C27 | C30 | O31 | 87.5° | 41.2° |
| C27 | C26 | C25 | H10 | 179.7° | 180.0° |
| C26 | C27 | C28 | H13 | 179.6° | 179.7° |
| C27 | C30 | N32 | C33 | 139.8° | 175.5° |
| C27 | C30 | N32 | O31 | 177.6° | 180.0° |
| C30 | C27 | C26 | H11 | 0.1° | 0.0° |
| C30 | C27 | C28 | H13 | 0.2° | 0.1° |
| CL2 | C20 | C19 | C18 | 179.4° | 179.8° |
| CL2 | C20 | C19 | CL1 | 0.2° | 0.0° |
| CL2 | C20 | C21 | H4 | 0.6° | 0.0° |
| C20 | C19 | C18 | CL1 | 179.7° | 179.8° |
| C19 | C20 | C21 | H4 | 178.8° | 180.0° |
| C20 | C19 | C18 | H5 | 179.0° | 179.8° |
| C33 | N32 | C30 | O31 | 42.6° | 4.5° |
| N32 | C33 | H14 | H15 | 120.0° | 120.0° |
| N32 | C33 | H14 | H16 | 120.0° | 120.0° |
| N32 | C33 | H15 | H16 | 120.0° | 119.9° |
| C33 | N32 | C34 | H17 | 180.0° | 95.1° |
| C33 | N32 | C34 | H18 | 60.0° | 144.9° |
| C33 | N32 | C34 | H19 | 60.0° | 24.8° |
| C30 | N32 | C33 | H14 | 0.6° | 90.0° |
| C30 | N32 | C33 | H15 | 119.5° | 150.0° |
| C30 | N32 | C33 | H16 | 120.5° | 30.1° |
| C30 | N32 | C34 | H17 | 0.6° | 84.9° |
| C30 | N32 | C34 | H18 | 120.6° | 35.2° |
| C30 | N32 | C34 | H19 | 119.5° | 155.2° |
| C19 | C18 | C17 | H6 | 179.0° | 180.0° |
| CL1 | C19 | C18 | H5 | 0.7° | 0.0° |
| H5 | C18 | C17 | H6 | 1.0° | 0.0° |
| H10 | C25 | C26 | H11 | 0.3° | 0.0° |
| H12 | C29 | C28 | H13 | 0.1° | 0.0° |
| H14 | C33 | H15 | H16 | 120.0° | 120.1° |
| H17 | C34 | H18 | H19 | 120.0° | 119.9° |
