E8B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C34 | sing | 1.53Å | 1.54Å | |
| O30 | C29 | doub | 1.21Å | 1.22Å | |
| C34 | C31 | sing | 1.53Å | 1.56Å | |
| C34 | C36 | sing | 1.53Å | 1.54Å | |
| C31 | C29 | sing | 1.51Å | 1.53Å | |
| C13 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | N27 | sing | 1.35Å | 1.25Å | |
| C15 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C7 | C4 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| N27 | C20 | sing | 1.40Å | 1.40Å | |
| C10 | C8 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C17 | sing | 1.48Å | 1.49Å | |
| C18 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.36Å | Aromatic |
| C17 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C34 | H12 | sing | 1.09Å | 1.10Å | |
| C40 | H13 | sing | 1.09Å | 1.10Å | |
| C40 | H14 | sing | 1.09Å | 1.10Å | |
| C40 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| N27 | H19 | sing | 0.97Å | 1.00Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C34 | C31 | 113.9° | 109.5° |
| C40 | C34 | C36 | 110.1° | 109.5° |
| C40 | C34 | H12 | 105.9° | 109.5° |
| C34 | C40 | H13 | 109.5° | 109.5° |
| C34 | C40 | H14 | 109.5° | 109.5° |
| C34 | C40 | H15 | 109.4° | 109.5° |
| O30 | C29 | C31 | 122.0° | 120.0° |
| O30 | C29 | N27 | 123.4° | 120.0° |
| C31 | C34 | C36 | 114.6° | 109.4° |
| C34 | C31 | C29 | 113.6° | 109.5° |
| C34 | C31 | H10 | 108.4° | 109.5° |
| C34 | C31 | H11 | 108.4° | 109.5° |
| C31 | C34 | H12 | 105.6° | 109.5° |
| C36 | C34 | H12 | 105.9° | 109.5° |
| C34 | C36 | H16 | 109.5° | 109.5° |
| C34 | C36 | H17 | 109.5° | 109.4° |
| C34 | C36 | H18 | 109.5° | 109.5° |
| C31 | C29 | N27 | 114.6° | 120.0° |
| C29 | C31 | H10 | 108.4° | 109.5° |
| C29 | C31 | H11 | 108.4° | 109.5° |
| C15 | C13 | C11 | 122.6° | 120.1° |
| C13 | C15 | C7 | 120.4° | 120.3° |
| C15 | C13 | H7 | 118.7° | 120.0° |
| C13 | C15 | H8 | 119.8° | 119.9° |
| C13 | C11 | C10 | 116.9° | 119.8° |
| C11 | C13 | H7 | 118.7° | 119.9° |
| C13 | C11 | H23 | 121.6° | 120.1° |
| C29 | N27 | C20 | 130.0° | 120.0° |
| C29 | N27 | H19 | 115.0° | 120.0° |
| C15 | C7 | C4 | 124.2° | 120.0° |
| C15 | C7 | C8 | 118.7° | 120.1° |
| C7 | C15 | H8 | 119.8° | 119.8° |
| C11 | C10 | C8 | 120.5° | 119.8° |
| C11 | C10 | C17 | 118.6° | 120.1° |
| C10 | C11 | H23 | 121.6° | 120.1° |
| N1 | C4 | C7 | 115.5° | 109.5° |
| C4 | N1 | H1 | 109.5° | 111.0° |
| C4 | N1 | H2 | 109.5° | 111.0° |
| N1 | C4 | H4 | 108.0° | 109.5° |
| N1 | C4 | H5 | 108.0° | 109.5° |
| C4 | C7 | C8 | 117.1° | 119.9° |
| C7 | C4 | H4 | 108.0° | 109.5° |
| C7 | C4 | H5 | 107.9° | 109.4° |
| C7 | C8 | C10 | 120.8° | 119.9° |
| C7 | C8 | H6 | 119.6° | 120.0° |
| N27 | C20 | C18 | 119.6° | 120.0° |
| N27 | C20 | C21 | 120.5° | 120.0° |
| C20 | N27 | H19 | 115.0° | 120.0° |
| C8 | C10 | C17 | 120.6° | 120.1° |
| C10 | C8 | H6 | 119.6° | 120.1° |
| C10 | C17 | C18 | 120.3° | 120.1° |
| C10 | C17 | C25 | 121.5° | 120.1° |
| C20 | C18 | C17 | 122.4° | 119.8° |
| C18 | C20 | C21 | 119.3° | 120.0° |
| C20 | C18 | H20 | 118.8° | 120.1° |
| C18 | C17 | C25 | 118.0° | 119.8° |
| C17 | C18 | H20 | 118.8° | 120.1° |
| C20 | C21 | C23 | 119.8° | 120.2° |
| C20 | C21 | H9 | 120.1° | 120.0° |
| C17 | C25 | C23 | 119.4° | 120.0° |
| C17 | C25 | H22 | 120.3° | 120.0° |
| C21 | C23 | C25 | 120.9° | 120.2° |
| C23 | C21 | H9 | 120.1° | 119.9° |
| C21 | C23 | H21 | 119.5° | 119.9° |
| C25 | C23 | H21 | 119.5° | 119.9° |
| C23 | C25 | H22 | 120.3° | 120.0° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H4 | C4 | H5 | 109.4° | 109.4° |
| H10 | C31 | H11 | 109.5° | 109.4° |
| H13 | C40 | H14 | 109.5° | 109.5° |
| H13 | C40 | H15 | 109.5° | 109.4° |
| H14 | C40 | H15 | 109.5° | 109.4° |
| H16 | C36 | H17 | 109.5° | 109.4° |
| H16 | C36 | H18 | 109.5° | 109.5° |
| H17 | C36 | H18 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C34 | C31 | C36 | 128.0° | 120.0° |
| C40 | C34 | C31 | H12 | 115.8° | 120.0° |
| C40 | C34 | C36 | H12 | 114.0° | 120.0° |
| C40 | C34 | C31 | C29 | 59.9° | 65.0° |
| C40 | C34 | C31 | H10 | 179.5° | 55.0° |
| C40 | C34 | C31 | H11 | 60.7° | 175.0° |
| C34 | C40 | H13 | H14 | 120.0° | 120.1° |
| C34 | C40 | H13 | H15 | 120.0° | 120.0° |
| C34 | C40 | H14 | H15 | 120.0° | 120.0° |
| C40 | C34 | C36 | H16 | 180.0° | 179.9° |
| C40 | C34 | C36 | H17 | 60.0° | 60.0° |
| C40 | C34 | C36 | H18 | 60.0° | 60.0° |
| O30 | C29 | C31 | C34 | 84.4° | 0.0° |
| O30 | C29 | C31 | N27 | 178.2° | 180.0° |
| O30 | C29 | N27 | C20 | 7.9° | 5.3° |
| O30 | C29 | C31 | H10 | 155.0° | 120.0° |
| O30 | C29 | C31 | H11 | 36.2° | 120.0° |
| O30 | C29 | N27 | H19 | 172.1° | 174.7° |
| C31 | C34 | C36 | H12 | 116.1° | 120.0° |
| C34 | C31 | C29 | H10 | 120.6° | 120.0° |
| C34 | C31 | C29 | H11 | 120.6° | 120.0° |
| C34 | C31 | C29 | N27 | 97.5° | 180.0° |
| C34 | C31 | H10 | H11 | 118.1° | 120.0° |
| C31 | C34 | C40 | H13 | 180.0° | 60.0° |
| C31 | C34 | C40 | H14 | 60.0° | 180.0° |
| C31 | C34 | C40 | H15 | 60.0° | 60.0° |
| C31 | C34 | C36 | H16 | 50.1° | 60.1° |
| C31 | C34 | C36 | H17 | 70.0° | 180.0° |
| C31 | C34 | C36 | H18 | 170.1° | 60.0° |
| C36 | C34 | C31 | C29 | 68.1° | 175.0° |
| C36 | C34 | C31 | H10 | 52.5° | 65.0° |
| C36 | C34 | C31 | H11 | 171.3° | 55.0° |
| C36 | C34 | C40 | H13 | 49.6° | 60.0° |
| C36 | C34 | C40 | H14 | 70.4° | 60.0° |
| C36 | C34 | C40 | H15 | 169.6° | 180.0° |
| C34 | C36 | H16 | H17 | 120.0° | 119.9° |
| C34 | C36 | H16 | H18 | 120.0° | 120.1° |
| C34 | C36 | H17 | H18 | 120.0° | 120.0° |
| C31 | C29 | N27 | C20 | 174.0° | 174.7° |
| C29 | C31 | H10 | H11 | 118.1° | 120.0° |
| C29 | C31 | C34 | H12 | 175.7° | 55.0° |
| C31 | C29 | N27 | H19 | 6.0° | 5.3° |
| C15 | C13 | C11 | H7 | 180.0° | 180.0° |
| C13 | C15 | C7 | H8 | 180.0° | 179.9° |
| C15 | C13 | C11 | C10 | 2.2° | 0.3° |
| C13 | C15 | C7 | C4 | 179.4° | 180.0° |
| C13 | C15 | C7 | C8 | 1.2° | 0.3° |
| C15 | C13 | C11 | H23 | 177.8° | 180.0° |
| C11 | C13 | C15 | C7 | 3.8° | 0.0° |
| C13 | C11 | C10 | H23 | 180.0° | 179.8° |
| C13 | C11 | C10 | C8 | 1.9° | 0.3° |
| C13 | C11 | C10 | C17 | 175.2° | 179.7° |
| C11 | C13 | C15 | H8 | 176.2° | 179.9° |
| C29 | N27 | C20 | H19 | 180.0° | 179.9° |
| C29 | N27 | C20 | C18 | 36.9° | 146.3° |
| C29 | N27 | C20 | C21 | 151.8° | 33.3° |
| N27 | C29 | C31 | H10 | 23.1° | 60.0° |
| N27 | C29 | C31 | H11 | 141.9° | 60.0° |
| C15 | C7 | C4 | N1 | 10.6° | 90.3° |
| C15 | C7 | C4 | C8 | 179.3° | 179.7° |
| C15 | C7 | C8 | C10 | 2.8° | 0.3° |
| C15 | C7 | C4 | H4 | 110.3° | 149.7° |
| C15 | C7 | C4 | H5 | 131.5° | 29.7° |
| C15 | C7 | C8 | H6 | 177.2° | 179.7° |
| C7 | C15 | C13 | H7 | 176.1° | 180.0° |
| C11 | C10 | C8 | C7 | 4.4° | 0.0° |
| C11 | C10 | C8 | C17 | 173.2° | 180.0° |
| C11 | C10 | C17 | C18 | 33.0° | 0.3° |
| C11 | C10 | C17 | C25 | 142.5° | 180.0° |
| C11 | C10 | C8 | H6 | 175.6° | 180.0° |
| C10 | C11 | C13 | H7 | 177.8° | 179.7° |
| N1 | C4 | C7 | H4 | 120.9° | 120.0° |
| N1 | C4 | C7 | H5 | 120.9° | 120.0° |
| N1 | C4 | C7 | C8 | 170.0° | 90.0° |
| C4 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C4 | H4 | H5 | 117.3° | 120.0° |
| C4 | C7 | C8 | C10 | 176.6° | 180.0° |
| C7 | C4 | N1 | H1 | 180.0° | 56.1° |
| C7 | C4 | N1 | H2 | 60.0° | 180.0° |
| C7 | C4 | H4 | H5 | 117.2° | 119.9° |
| C4 | C7 | C8 | H6 | 3.4° | 0.0° |
| C4 | C7 | C15 | H8 | 0.6° | 0.1° |
| C7 | C8 | C10 | H6 | 180.0° | 180.0° |
| C7 | C8 | C10 | C17 | 177.7° | 180.0° |
| C8 | C7 | C4 | H4 | 69.1° | 30.0° |
| C8 | C7 | C4 | H5 | 49.1° | 150.0° |
| C8 | C7 | C15 | H8 | 178.8° | 179.8° |
| N27 | C20 | C18 | C21 | 171.4° | 179.6° |
| N27 | C20 | C18 | C17 | 176.0° | 179.7° |
| N27 | C20 | C21 | C23 | 175.6° | 179.9° |
| N27 | C20 | C21 | H9 | 4.4° | 0.0° |
| N27 | C20 | C18 | H20 | 4.0° | 0.4° |
| C8 | C10 | C17 | C18 | 153.6° | 179.8° |
| C8 | C10 | C17 | C25 | 30.9° | 0.0° |
| C8 | C10 | C11 | H23 | 178.1° | 180.0° |
| C10 | C17 | C18 | C20 | 178.8° | 180.0° |
| C10 | C17 | C18 | C25 | 175.7° | 179.8° |
| C10 | C17 | C25 | C23 | 177.0° | 179.9° |
| C17 | C10 | C8 | H6 | 2.4° | 0.0° |
| C10 | C17 | C18 | H20 | 1.2° | 0.0° |
| C10 | C17 | C25 | H22 | 3.0° | 0.0° |
| C17 | C10 | C11 | H23 | 4.8° | 0.1° |
| C20 | C18 | C17 | H20 | 180.0° | 180.0° |
| C20 | C18 | C17 | C25 | 3.1° | 0.2° |
| C18 | C20 | C21 | C23 | 4.3° | 0.3° |
| C18 | C20 | C21 | H9 | 175.7° | 179.6° |
| C18 | C20 | N27 | H19 | 143.1° | 33.7° |
| C17 | C18 | C20 | C21 | 4.6° | 0.0° |
| C18 | C17 | C25 | C23 | 1.4° | 0.2° |
| C18 | C17 | C25 | H22 | 178.6° | 179.8° |
| C20 | C21 | C23 | H9 | 180.0° | 179.9° |
| C20 | C21 | C23 | C25 | 2.7° | 0.3° |
| C21 | C20 | N27 | H19 | 28.2° | 146.6° |
| C21 | C20 | C18 | H20 | 175.4° | 180.0° |
| C20 | C21 | C23 | H21 | 177.3° | 179.9° |
| C17 | C25 | C23 | C21 | 1.2° | 0.1° |
| C17 | C25 | C23 | H22 | 180.0° | 179.9° |
| C25 | C17 | C18 | H20 | 176.9° | 179.8° |
| C17 | C25 | C23 | H21 | 178.7° | 179.7° |
| C21 | C23 | C25 | H21 | 180.0° | 179.6° |
| C21 | C23 | C25 | H22 | 178.8° | 180.0° |
| C25 | C23 | C21 | H9 | 177.3° | 179.6° |
| H1 | N1 | C4 | H4 | 59.1° | 176.1° |
| H1 | N1 | C4 | H5 | 59.1° | 63.9° |
| H2 | N1 | C4 | H4 | 60.9° | 60.0° |
| H2 | N1 | C4 | H5 | 179.1° | 60.0° |
| H7 | C13 | C15 | H8 | 3.8° | 0.1° |
| H7 | C13 | C11 | H23 | 2.2° | 0.1° |
| H9 | C21 | C23 | H21 | 2.7° | 0.0° |
| H10 | C31 | C34 | H12 | 63.7° | 175.0° |
| H11 | C31 | C34 | H12 | 55.1° | 65.0° |
| H12 | C34 | C40 | H13 | 64.4° | 179.9° |
| H12 | C34 | C40 | H14 | 175.6° | 60.0° |
| H12 | C34 | C40 | H15 | 55.6° | 60.0° |
| H12 | C34 | C36 | H16 | 66.0° | 59.9° |
| H12 | C34 | C36 | H17 | 174.0° | 60.0° |
| H12 | C34 | C36 | H18 | 54.0° | 180.0° |
| H13 | C40 | H14 | H15 | 120.0° | 119.9° |
| H16 | C36 | H17 | H18 | 120.0° | 120.0° |
| H21 | C23 | C25 | H22 | 1.3° | 0.4° |
