E4O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C1 | sing | 1.74Å | 1.74Å | |
| CL2 | C2 | sing | 1.74Å | 1.73Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| O25 | C22 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| N24 | C20 | sing | 1.47Å | 1.45Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.54Å | |
| O21 | C19 | doub | 1.21Å | 1.23Å | |
| C5 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C10 | sing | 1.47Å | 1.47Å | |
| C4 | N7 | sing | 1.36Å | 1.40Å | |
| C19 | N18 | sing | 1.35Å | 1.33Å | |
| O13 | C10 | doub | 1.22Å | 1.22Å | |
| C10 | N9 | sing | 1.35Å | 1.39Å | |
| N7 | C8 | doub | 1.30Å | 1.29Å | |
| N18 | C17 | sing | 1.46Å | 1.46Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | |
| N9 | C14 | sing | 1.46Å | 1.47Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | doub | 1.31Å | 1.32Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| N18 | H10 | sing | 0.97Å | 1.00Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| N24 | H16 | sing | 1.01Å | 1.00Å | |
| N24 | H17 | sing | 1.01Å | 1.00Å | |
| O25 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C1 | C2 | 120.7° | 119.7° |
| CL1 | C1 | C6 | 119.0° | 119.8° |
| CL2 | C2 | C1 | 120.5° | 119.6° |
| CL2 | C2 | C3 | 118.9° | 119.6° |
| C2 | C1 | C6 | 120.3° | 120.5° |
| C1 | C2 | C3 | 120.5° | 120.8° |
| C1 | C6 | C5 | 119.7° | 119.5° |
| C1 | C6 | H1 | 120.2° | 120.3° |
| O25 | C22 | C20 | 108.9° | 109.5° |
| O25 | C22 | C23 | 109.8° | 109.5° |
| O25 | C22 | H12 | 109.4° | 109.5° |
| C22 | O25 | H19 | 109.5° | 114.0° |
| C2 | C3 | C4 | 119.9° | 119.7° |
| C2 | C3 | H6 | 120.1° | 120.2° |
| N24 | C20 | C22 | 113.1° | 109.5° |
| N24 | C20 | C19 | 105.0° | 109.5° |
| N24 | C20 | H11 | 109.6° | 109.5° |
| C20 | N24 | H16 | 109.5° | 111.0° |
| C20 | N24 | H17 | 109.5° | 111.0° |
| C6 | C5 | C4 | 120.2° | 120.1° |
| C6 | C5 | C10 | 120.3° | 121.9° |
| C5 | C6 | H1 | 120.1° | 120.2° |
| C20 | C22 | C23 | 112.4° | 109.5° |
| C22 | C20 | C19 | 111.9° | 109.4° |
| C22 | C20 | H11 | 108.5° | 109.5° |
| C20 | C22 | H12 | 108.0° | 109.5° |
| C23 | C22 | H12 | 108.3° | 109.5° |
| C22 | C23 | H13 | 109.5° | 109.4° |
| C22 | C23 | H14 | 109.5° | 109.4° |
| C22 | C23 | H15 | 109.5° | 109.4° |
| C3 | C4 | C5 | 119.4° | 119.4° |
| C3 | C4 | N7 | 118.6° | 121.6° |
| C4 | C3 | H6 | 120.0° | 120.1° |
| C20 | C19 | O21 | 119.0° | 120.0° |
| C20 | C19 | N18 | 117.1° | 120.0° |
| C19 | C20 | H11 | 108.6° | 109.5° |
| O21 | C19 | N18 | 123.9° | 120.1° |
| C4 | C5 | C10 | 119.5° | 118.0° |
| C5 | C4 | N7 | 122.1° | 119.1° |
| C5 | C10 | O13 | 124.8° | 121.3° |
| C5 | C10 | N9 | 113.9° | 117.4° |
| C4 | N7 | C8 | 116.5° | 121.6° |
| C19 | N18 | C17 | 122.8° | 120.0° |
| C19 | N18 | H10 | 118.6° | 120.1° |
| O13 | C10 | N9 | 121.3° | 121.3° |
| C10 | N9 | C8 | 121.6° | 120.6° |
| C10 | N9 | C14 | 118.3° | 119.7° |
| N7 | C8 | N9 | 126.4° | 123.4° |
| N7 | C8 | H2 | 116.8° | 118.3° |
| N18 | C17 | C16 | 115.2° | 109.5° |
| N18 | C17 | H8 | 108.0° | 109.5° |
| N18 | C17 | H9 | 108.0° | 109.5° |
| C17 | N18 | H10 | 118.6° | 120.0° |
| C8 | N9 | C14 | 120.1° | 119.7° |
| N9 | C8 | H2 | 116.8° | 118.3° |
| N9 | C14 | C15 | 112.0° | 109.5° |
| N9 | C14 | H3 | 108.8° | 109.5° |
| N9 | C14 | H4 | 108.8° | 109.5° |
| C14 | C15 | C16 | 124.7° | 120.0° |
| C15 | C14 | H3 | 108.8° | 109.4° |
| C15 | C14 | H4 | 108.9° | 109.5° |
| C14 | C15 | H5 | 117.6° | 120.0° |
| C15 | C16 | C17 | 126.4° | 120.0° |
| C16 | C15 | H5 | 117.6° | 120.0° |
| C15 | C16 | H7 | 116.8° | 120.0° |
| C17 | C16 | H7 | 116.8° | 120.1° |
| C16 | C17 | H8 | 108.0° | 109.4° |
| C16 | C17 | H9 | 108.0° | 109.5° |
| H3 | C14 | H4 | 109.4° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.4° | 109.5° |
| H13 | C23 | H15 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H16 | N24 | H17 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C1 | C2 | CL2 | 2.1° | 0.3° |
| CL1 | C1 | C2 | C6 | 180.0° | 179.7° |
| CL1 | C1 | C2 | C3 | 179.5° | 180.0° |
| CL1 | C1 | C6 | C5 | 179.9° | 179.7° |
| CL1 | C1 | C6 | H1 | 0.1° | 0.3° |
| CL2 | C2 | C1 | C3 | 178.4° | 179.7° |
| CL2 | C2 | C1 | C6 | 177.9° | 180.0° |
| CL2 | C2 | C3 | C4 | 177.7° | 179.8° |
| CL2 | C2 | C3 | H6 | 2.3° | 0.3° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.5° |
| C2 | C1 | C6 | H1 | 179.9° | 180.0° |
| C1 | C2 | C3 | H6 | 179.3° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.3° |
| C1 | C6 | C5 | H1 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | C10 | 178.9° | 180.0° |
| O25 | C22 | C20 | N24 | 48.3° | 65.0° |
| O25 | C22 | C20 | C23 | 121.9° | 120.0° |
| O25 | C22 | C20 | H12 | 118.7° | 120.0° |
| O25 | C22 | C23 | H12 | 119.4° | 120.0° |
| O25 | C22 | C20 | C19 | 166.7° | 55.0° |
| O25 | C22 | C20 | H11 | 73.6° | 175.0° |
| O25 | C22 | C23 | H13 | 180.0° | 60.0° |
| O25 | C22 | C23 | H14 | 60.0° | 60.0° |
| O25 | C22 | C23 | H15 | 60.0° | 180.0° |
| C2 | C3 | C4 | H6 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.4° | 0.5° |
| C2 | C3 | C4 | N7 | 178.6° | 179.7° |
| N24 | C20 | C22 | C19 | 118.4° | 120.0° |
| N24 | C20 | C22 | H11 | 121.8° | 120.0° |
| N24 | C20 | C22 | C23 | 170.2° | 55.0° |
| N24 | C20 | C19 | H11 | 117.2° | 120.0° |
| N24 | C20 | C19 | O21 | 49.3° | 20.0° |
| N24 | C20 | C19 | N18 | 130.0° | 160.0° |
| N24 | C20 | C22 | H12 | 70.5° | 175.0° |
| C20 | N24 | H16 | H17 | 120.0° | 123.9° |
| C6 | C5 | C4 | C3 | 0.0° | 0.2° |
| C6 | C5 | C4 | C10 | 179.1° | 179.9° |
| C6 | C5 | C4 | N7 | 179.1° | 180.0° |
| C6 | C5 | C10 | O13 | 1.3° | 0.0° |
| C6 | C5 | C10 | N9 | 178.8° | 179.9° |
| C20 | C22 | C23 | H12 | 119.2° | 120.0° |
| C22 | C20 | C19 | H11 | 119.8° | 120.0° |
| C22 | C20 | C19 | O21 | 73.8° | 100.1° |
| C22 | C20 | C19 | N18 | 106.9° | 80.0° |
| C20 | C22 | C23 | H13 | 58.6° | 60.0° |
| C20 | C22 | C23 | H14 | 61.4° | 180.0° |
| C20 | C22 | C23 | H15 | 178.6° | 60.0° |
| C22 | C20 | N24 | H16 | 180.0° | 59.9° |
| C22 | C20 | N24 | H17 | 60.0° | 63.9° |
| C20 | C22 | O25 | H19 | 180.0° | 180.0° |
| C23 | C22 | C20 | C19 | 71.5° | 175.0° |
| C23 | C22 | C20 | H11 | 48.3° | 65.0° |
| C22 | C23 | H13 | H14 | 120.0° | 119.9° |
| C22 | C23 | H13 | H15 | 120.0° | 120.0° |
| C22 | C23 | H14 | H15 | 120.0° | 120.0° |
| C23 | C22 | O25 | H19 | 56.5° | 60.0° |
| C3 | C4 | C5 | N7 | 179.0° | 179.8° |
| C3 | C4 | C5 | C10 | 179.1° | 179.7° |
| C3 | C4 | N7 | C8 | 178.9° | 179.7° |
| C20 | C19 | O21 | N18 | 179.2° | 179.9° |
| C20 | C19 | N18 | C17 | 169.9° | 180.0° |
| C20 | C19 | N18 | H10 | 10.1° | 0.0° |
| C19 | C20 | C22 | H12 | 47.9° | 65.0° |
| C19 | C20 | N24 | H16 | 57.7° | 60.0° |
| C19 | C20 | N24 | H17 | 62.3° | 176.1° |
| O21 | C19 | N18 | C17 | 10.9° | 0.0° |
| O21 | C19 | N18 | H10 | 169.1° | 179.9° |
| O21 | C19 | C20 | H11 | 166.4° | 139.9° |
| C4 | C5 | C10 | O13 | 179.6° | 179.9° |
| C4 | C5 | C10 | N9 | 0.4° | 0.0° |
| C5 | C4 | N7 | C8 | 0.2° | 0.1° |
| C4 | C5 | C6 | H1 | 179.8° | 179.9° |
| C5 | C4 | C3 | H6 | 179.6° | 180.0° |
| C10 | C5 | C4 | N7 | 0.1° | 0.1° |
| C5 | C10 | O13 | N9 | 179.9° | 179.9° |
| C5 | C10 | N9 | C8 | 0.4° | 0.0° |
| C5 | C10 | N9 | C14 | 178.2° | 180.0° |
| C10 | C5 | C6 | H1 | 1.1° | 0.0° |
| C4 | N7 | C8 | N9 | 0.1° | 0.1° |
| C4 | N7 | C8 | H2 | 179.9° | 180.0° |
| N7 | C4 | C3 | H6 | 1.4° | 0.2° |
| C19 | N18 | C17 | H10 | 180.0° | 180.0° |
| C19 | N18 | C17 | C16 | 95.3° | 180.0° |
| C19 | N18 | C17 | H8 | 143.9° | 60.0° |
| C19 | N18 | C17 | H9 | 25.6° | 60.0° |
| N18 | C19 | C20 | H11 | 12.8° | 40.0° |
| O13 | C10 | N9 | C8 | 179.5° | 180.0° |
| O13 | C10 | N9 | C14 | 1.9° | 0.1° |
| C10 | N9 | C8 | N7 | 0.2° | 0.0° |
| C10 | N9 | C8 | C14 | 178.6° | 180.0° |
| C10 | N9 | C14 | C15 | 81.5° | 90.1° |
| C10 | N9 | C8 | H2 | 179.8° | 179.9° |
| C10 | N9 | C14 | H3 | 158.1° | 29.9° |
| C10 | N9 | C14 | H4 | 38.9° | 150.0° |
| N7 | C8 | N9 | H2 | 180.0° | 179.9° |
| N7 | C8 | N9 | C14 | 178.4° | 180.0° |
| N18 | C17 | C16 | C15 | 8.1° | 125.0° |
| N18 | C17 | C16 | H8 | 120.8° | 120.0° |
| N18 | C17 | C16 | H9 | 120.8° | 120.0° |
| N18 | C17 | C16 | H7 | 172.0° | 55.0° |
| N18 | C17 | H8 | H9 | 117.4° | 120.0° |
| C8 | N9 | C14 | C15 | 99.9° | 90.0° |
| C8 | N9 | C14 | H3 | 20.5° | 150.0° |
| C8 | N9 | C14 | H4 | 139.7° | 30.0° |
| N9 | C14 | C15 | H3 | 120.4° | 120.0° |
| N9 | C14 | C15 | H4 | 120.4° | 120.0° |
| N9 | C14 | C15 | C16 | 108.6° | 125.0° |
| C14 | N9 | C8 | H2 | 1.6° | 0.0° |
| N9 | C14 | H3 | H4 | 118.8° | 120.0° |
| N9 | C14 | C15 | H5 | 71.4° | 55.0° |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.9° | 180.0° |
| C15 | C14 | H3 | H4 | 118.8° | 120.0° |
| C14 | C15 | C16 | H7 | 0.1° | 0.0° |
| C15 | C16 | C17 | H7 | 180.0° | 180.0° |
| C16 | C15 | C14 | H3 | 11.8° | 115.0° |
| C16 | C15 | C14 | H4 | 131.0° | 5.0° |
| C15 | C16 | C17 | H8 | 128.9° | 115.0° |
| C15 | C16 | C17 | H9 | 112.8° | 5.0° |
| C17 | C16 | C15 | H5 | 0.1° | 0.0° |
| C16 | C17 | H8 | H9 | 117.4° | 120.0° |
| C16 | C17 | N18 | H10 | 84.7° | 0.0° |
| H3 | C14 | C15 | H5 | 168.2° | 65.0° |
| H4 | C14 | C15 | H5 | 49.0° | 175.0° |
| H5 | C15 | C16 | H7 | 179.9° | 180.0° |
| H7 | C16 | C17 | H8 | 51.1° | 65.0° |
| H7 | C16 | C17 | H9 | 67.2° | 175.0° |
| H8 | C17 | N18 | H10 | 36.1° | 120.0° |
| H9 | C17 | N18 | H10 | 154.5° | 120.0° |
| H11 | C20 | C22 | H12 | 167.7° | 55.0° |
| H11 | C20 | N24 | H16 | 58.8° | 180.0° |
| H11 | C20 | N24 | H17 | 178.7° | 56.1° |
| H12 | C22 | C23 | H13 | 60.6° | 180.0° |
| H12 | C22 | C23 | H14 | 179.4° | 60.1° |
| H12 | C22 | C23 | H15 | 59.4° | 60.0° |
| H12 | C22 | O25 | H19 | 62.1° | 60.0° |
| H13 | C23 | H14 | H15 | 120.0° | 120.1° |
