E0L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.36Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.42Å | 1.40Å | |
| C4 | C5 | doub | 1.41Å | 1.48Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | |
| O16 | C14 | doub | 1.22Å | 1.19Å | |
| O25 | C23 | doub | 1.21Å | 1.23Å | |
| C6 | C5 | sing | 1.40Å | 1.48Å | Aromatic |
| C6 | N11 | sing | 1.40Å | 1.33Å | |
| C5 | N10 | sing | 1.38Å | 1.34Å | |
| C8 | C14 | sing | 1.47Å | 1.52Å | |
| C8 | C9 | sing | 1.47Å | 1.50Å | |
| C14 | N15 | sing | 1.35Å | 1.33Å | |
| C23 | O24 | sing | 1.35Å | 1.26Å | |
| C23 | C21 | sing | 1.48Å | 1.49Å | |
| C22 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | N11 | sing | 1.46Å | 1.44Å | |
| N10 | C9 | sing | 1.35Å | 1.36Å | |
| C9 | O13 | doub | 1.22Å | 1.25Å | |
| C21 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| N15 | C17 | sing | 1.40Å | 1.34Å | |
| C17 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| O24 | H11 | sing | 0.97Å | 0.95Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| N15 | H13 | sing | 0.97Å | 1.00Å | |
| N10 | H14 | sing | 0.97Å | 1.00Å | |
| N11 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 120.8° | 120.6° |
| C2 | C3 | C4 | 121.7° | 120.0° |
| C2 | C3 | H5 | 119.2° | 120.0° |
| C3 | C2 | H7 | 119.6° | 119.7° |
| C2 | C1 | C6 | 122.8° | 120.6° |
| C2 | C1 | H6 | 118.6° | 119.7° |
| C1 | C2 | H7 | 119.6° | 119.7° |
| C3 | C4 | C7 | 118.9° | 120.2° |
| C3 | C4 | C5 | 119.1° | 119.7° |
| C4 | C3 | H5 | 119.2° | 120.0° |
| C1 | C6 | C5 | 118.0° | 119.8° |
| C1 | C6 | N11 | 121.9° | 120.1° |
| C6 | C1 | H6 | 118.6° | 119.7° |
| C7 | C4 | C5 | 122.0° | 120.0° |
| C4 | C7 | C8 | 118.8° | 119.1° |
| C4 | C7 | H1 | 120.6° | 120.5° |
| C4 | C5 | C6 | 117.5° | 119.3° |
| C4 | C5 | N10 | 119.2° | 120.6° |
| C7 | C8 | C14 | 121.3° | 120.4° |
| C7 | C8 | C9 | 116.7° | 119.2° |
| C8 | C7 | H1 | 120.6° | 120.4° |
| O16 | C14 | C8 | 120.1° | 120.0° |
| O16 | C14 | N15 | 121.4° | 120.0° |
| O25 | C23 | O24 | 123.3° | 120.1° |
| O25 | C23 | C21 | 113.5° | 120.0° |
| C5 | C6 | N11 | 120.1° | 120.1° |
| C6 | C5 | N10 | 123.2° | 120.1° |
| C6 | N11 | C12 | 124.7° | 120.0° |
| C6 | N11 | H15 | 105.5° | 120.0° |
| C5 | N10 | C9 | 120.1° | 120.9° |
| C5 | N10 | H14 | 120.0° | 119.5° |
| C14 | C8 | C9 | 122.0° | 120.4° |
| C8 | C14 | N15 | 118.3° | 120.0° |
| C8 | C9 | N10 | 123.2° | 120.1° |
| C8 | C9 | O13 | 119.0° | 119.9° |
| C14 | N15 | C17 | 125.9° | 120.0° |
| C14 | N15 | H13 | 117.0° | 119.9° |
| O24 | C23 | C21 | 123.2° | 120.0° |
| C23 | O24 | H11 | 109.5° | 117.0° |
| C23 | C21 | C22 | 120.9° | 120.1° |
| C23 | C21 | C20 | 117.9° | 120.1° |
| C21 | C22 | C17 | 118.8° | 119.8° |
| C22 | C21 | C20 | 121.2° | 119.7° |
| C21 | C22 | H10 | 120.6° | 120.1° |
| C22 | C17 | N15 | 127.8° | 120.0° |
| C22 | C17 | C18 | 119.0° | 120.0° |
| C17 | C22 | H10 | 120.6° | 120.1° |
| N11 | C12 | H2 | 109.5° | 109.5° |
| N11 | C12 | H3 | 109.5° | 109.5° |
| N11 | C12 | H4 | 109.5° | 109.5° |
| C12 | N11 | H15 | 105.6° | 120.0° |
| N10 | C9 | O13 | 117.8° | 120.0° |
| C9 | N10 | H14 | 120.0° | 119.6° |
| C21 | C20 | C19 | 118.6° | 120.0° |
| C21 | C20 | H12 | 120.7° | 120.0° |
| N15 | C17 | C18 | 112.9° | 120.0° |
| C17 | N15 | H13 | 117.1° | 120.0° |
| C17 | C18 | C19 | 121.8° | 120.2° |
| C17 | C18 | H8 | 119.1° | 119.9° |
| C20 | C19 | C18 | 120.5° | 120.3° |
| C20 | C19 | H9 | 119.8° | 119.9° |
| C19 | C20 | H12 | 120.7° | 120.0° |
| C19 | C18 | H8 | 119.1° | 119.9° |
| C18 | C19 | H9 | 119.7° | 119.8° |
| H2 | C12 | H3 | 109.5° | 109.4° |
| H2 | C12 | H4 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H7 | 180.0° | 180.0° |
| C2 | C3 | C4 | H5 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.8° | 0.2° |
| C2 | C3 | C4 | C7 | 179.2° | 179.9° |
| C2 | C3 | C4 | C5 | 0.7° | 0.2° |
| C3 | C2 | C1 | H6 | 179.2° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | C6 | H6 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.4° | 0.2° |
| C2 | C1 | C6 | N11 | 178.2° | 179.8° |
| C1 | C2 | C3 | H5 | 179.8° | 179.9° |
| C3 | C4 | C7 | C5 | 178.4° | 179.7° |
| C3 | C4 | C7 | C8 | 178.5° | 179.7° |
| C3 | C4 | C5 | C6 | 1.1° | 0.2° |
| C3 | C4 | C5 | N10 | 178.4° | 179.7° |
| C3 | C4 | C7 | H1 | 1.5° | 0.3° |
| C4 | C3 | C2 | H7 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | N11 | 178.7° | 180.0° |
| C1 | C6 | C5 | N10 | 178.9° | 180.0° |
| C1 | C6 | N11 | C12 | 2.8° | 0.0° |
| C6 | C1 | C2 | H7 | 179.2° | 179.8° |
| C1 | C6 | N11 | H15 | 119.3° | 180.0° |
| C4 | C7 | C8 | H1 | 180.0° | 180.0° |
| C7 | C4 | C5 | C6 | 179.5° | 179.9° |
| C7 | C4 | C5 | N10 | 0.1° | 0.0° |
| C4 | C7 | C8 | C14 | 178.9° | 180.0° |
| C4 | C7 | C8 | C9 | 0.6° | 0.0° |
| C7 | C4 | C3 | H5 | 0.8° | 0.0° |
| C5 | C4 | C7 | C8 | 0.0° | 0.0° |
| C4 | C5 | C6 | N10 | 179.4° | 179.9° |
| C4 | C5 | C6 | N11 | 179.2° | 180.0° |
| C4 | C5 | N10 | C9 | 0.9° | 0.0° |
| C5 | C4 | C7 | H1 | 179.9° | 180.0° |
| C5 | C4 | C3 | H5 | 179.3° | 179.7° |
| C4 | C5 | N10 | H14 | 179.1° | 180.0° |
| C7 | C8 | C14 | O16 | 4.5° | 8.7° |
| C7 | C8 | C14 | C9 | 179.5° | 180.0° |
| C7 | C8 | C14 | N15 | 171.1° | 171.3° |
| C7 | C8 | C9 | N10 | 1.5° | 0.0° |
| C7 | C8 | C9 | O13 | 179.1° | 180.0° |
| O16 | C14 | C8 | N15 | 175.6° | 180.0° |
| O16 | C14 | C8 | C9 | 176.0° | 171.4° |
| O16 | C14 | N15 | C17 | 3.1° | 8.6° |
| O16 | C14 | N15 | H13 | 176.9° | 171.4° |
| O25 | C23 | O24 | C21 | 178.6° | 179.9° |
| O25 | C23 | C21 | C22 | 16.6° | 0.1° |
| O25 | C23 | C21 | C20 | 161.6° | 180.0° |
| O25 | C23 | O24 | H11 | 0.0° | 0.0° |
| C5 | C6 | N11 | C12 | 175.9° | 180.0° |
| C6 | C5 | N10 | C9 | 179.7° | 179.9° |
| C5 | C6 | C1 | H6 | 179.6° | 180.0° |
| C6 | C5 | N10 | H14 | 0.3° | 0.1° |
| C5 | C6 | N11 | H15 | 62.0° | 0.1° |
| N11 | C6 | C5 | N10 | 0.2° | 0.1° |
| C6 | N11 | C12 | H15 | 122.1° | 179.9° |
| C6 | N11 | C12 | H2 | 180.0° | 60.0° |
| C6 | N11 | C12 | H3 | 60.0° | 179.9° |
| C6 | N11 | C12 | H4 | 60.0° | 60.0° |
| N11 | C6 | C1 | H6 | 1.8° | 0.0° |
| C5 | N10 | C9 | C8 | 1.6° | 0.1° |
| C5 | N10 | C9 | H14 | 180.0° | 179.9° |
| C5 | N10 | C9 | O13 | 179.2° | 180.0° |
| C14 | C8 | C9 | N10 | 178.0° | 180.0° |
| C14 | C8 | C9 | O13 | 0.4° | 0.0° |
| C8 | C14 | N15 | C17 | 172.5° | 171.4° |
| C14 | C8 | C7 | H1 | 1.1° | 0.0° |
| C8 | C14 | N15 | H13 | 7.5° | 8.5° |
| C9 | C8 | C14 | N15 | 8.4° | 8.6° |
| C8 | C9 | N10 | O13 | 177.6° | 179.9° |
| C9 | C8 | C7 | H1 | 179.4° | 180.0° |
| C8 | C9 | N10 | H14 | 178.4° | 180.0° |
| C14 | N15 | C17 | C22 | 24.0° | 156.3° |
| C14 | N15 | C17 | H13 | 180.0° | 180.0° |
| C14 | N15 | C17 | C18 | 149.8° | 23.9° |
| O24 | C23 | C21 | C22 | 164.6° | 179.9° |
| O24 | C23 | C21 | C20 | 17.2° | 0.1° |
| C23 | C21 | C22 | C20 | 178.1° | 179.9° |
| C23 | C21 | C22 | C17 | 179.9° | 180.0° |
| C23 | C21 | C20 | C19 | 179.7° | 179.9° |
| C23 | C21 | C22 | H10 | 0.1° | 0.1° |
| C21 | C23 | O24 | H11 | 178.6° | 179.9° |
| C23 | C21 | C20 | H12 | 0.3° | 0.1° |
| C21 | C22 | C17 | H10 | 180.0° | 179.9° |
| C21 | C22 | C17 | N15 | 174.0° | 179.7° |
| C21 | C22 | C17 | C18 | 0.6° | 0.1° |
| C22 | C21 | C20 | C19 | 2.1° | 0.0° |
| C22 | C21 | C20 | H12 | 177.8° | 179.9° |
| C17 | C22 | C21 | C20 | 1.7° | 0.1° |
| C22 | C17 | N15 | C18 | 173.7° | 179.8° |
| C22 | C17 | C18 | C19 | 2.5° | 0.0° |
| C22 | C17 | C18 | H8 | 177.5° | 180.0° |
| C22 | C17 | N15 | H13 | 156.0° | 23.6° |
| N11 | C12 | H2 | H3 | 120.0° | 120.0° |
| N11 | C12 | H2 | H4 | 120.0° | 120.0° |
| N11 | C12 | H3 | H4 | 120.0° | 120.0° |
| O13 | C9 | N10 | H14 | 0.8° | 0.1° |
| C21 | C20 | C19 | H12 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.0° |
| C21 | C20 | C19 | H9 | 179.8° | 180.0° |
| C20 | C21 | C22 | H10 | 178.2° | 180.0° |
| N15 | C17 | C18 | C19 | 176.9° | 179.8° |
| N15 | C17 | C18 | H8 | 3.2° | 0.2° |
| N15 | C17 | C22 | H10 | 6.1° | 0.2° |
| C17 | C18 | C19 | C20 | 2.2° | 0.0° |
| C17 | C18 | C19 | H8 | 180.0° | 180.0° |
| C17 | C18 | C19 | H9 | 177.9° | 180.0° |
| C18 | C17 | C22 | H10 | 179.4° | 180.0° |
| C18 | C17 | N15 | H13 | 30.2° | 156.2° |
| C20 | C19 | C18 | H9 | 180.0° | 180.0° |
| C20 | C19 | C18 | H8 | 177.9° | 180.0° |
| C18 | C19 | C20 | H12 | 179.8° | 180.0° |
| H2 | C12 | H3 | H4 | 120.0° | 120.0° |
| H2 | C12 | N11 | H15 | 58.0° | 120.0° |
| H3 | C12 | N11 | H15 | 178.0° | 0.0° |
| H4 | C12 | N11 | H15 | 62.1° | 120.1° |
| H5 | C3 | C2 | H7 | 0.2° | 0.0° |
| H6 | C1 | C2 | H7 | 0.8° | 0.0° |
| H8 | C18 | C19 | H9 | 2.1° | 0.0° |
| H9 | C19 | C20 | H12 | 0.2° | 0.0° |
