E0U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| O13 | C9 | doub | 1.22Å | 1.24Å | |
| C17 | N15 | sing | 1.40Å | 1.35Å | |
| C17 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| O26 | C24 | doub | 1.21Å | 1.26Å | |
| N15 | C14 | sing | 1.35Å | 1.34Å | |
| C9 | N10 | sing | 1.35Å | 1.33Å | |
| C9 | C8 | sing | 1.47Å | 1.49Å | |
| N10 | C5 | sing | 1.38Å | 1.34Å | |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C23 | sing | 1.51Å | 1.52Å | |
| C12 | N11 | sing | 1.46Å | 1.44Å | |
| N11 | C6 | sing | 1.40Å | 1.35Å | |
| C24 | C23 | sing | 1.51Å | 1.53Å | |
| C24 | O25 | sing | 1.34Å | 1.26Å | |
| C14 | C8 | sing | 1.47Å | 1.53Å | |
| C14 | O16 | doub | 1.22Å | 1.22Å | |
| C5 | C6 | doub | 1.40Å | 1.50Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.49Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.40Å | |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C4 | sing | 1.42Å | 1.39Å | |
| C4 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.36Å | 1.40Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| N11 | H3 | sing | 0.97Å | 1.00Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| O25 | H8 | sing | 0.97Å | 0.95Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| N15 | H11 | sing | 0.97Å | 1.00Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| N10 | H13 | sing | 0.97Å | 1.00Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C20 | 120.8° | 120.0° |
| C19 | C18 | C17 | 120.2° | 119.9° |
| C18 | C19 | H9 | 119.6° | 120.0° |
| C19 | C18 | H10 | 119.9° | 120.0° |
| C19 | C20 | C21 | 119.3° | 120.2° |
| C19 | C20 | H4 | 120.4° | 119.9° |
| C20 | C19 | H9 | 119.6° | 120.0° |
| C18 | C17 | N15 | 114.2° | 120.0° |
| C18 | C17 | C22 | 119.0° | 119.9° |
| C17 | C18 | H10 | 119.9° | 120.1° |
| C20 | C21 | C22 | 120.0° | 120.0° |
| C20 | C21 | C23 | 117.6° | 120.0° |
| C21 | C20 | H4 | 120.3° | 119.9° |
| O13 | C9 | N10 | 118.2° | 119.9° |
| O13 | C9 | C8 | 119.1° | 119.9° |
| N15 | C17 | C22 | 126.5° | 120.1° |
| C17 | N15 | C14 | 127.3° | 120.0° |
| C17 | N15 | H11 | 116.3° | 120.0° |
| C17 | C22 | C21 | 120.6° | 119.9° |
| C17 | C22 | H5 | 119.7° | 120.1° |
| O26 | C24 | C23 | 118.7° | 120.0° |
| O26 | C24 | O25 | 122.6° | 120.0° |
| N15 | C14 | C8 | 118.5° | 120.0° |
| N15 | C14 | O16 | 122.0° | 120.0° |
| C14 | N15 | H11 | 116.4° | 120.0° |
| N10 | C9 | C8 | 122.7° | 120.2° |
| C9 | N10 | C5 | 121.6° | 120.9° |
| C9 | N10 | H13 | 119.2° | 119.6° |
| C9 | C8 | C14 | 120.8° | 120.4° |
| C9 | C8 | C7 | 117.0° | 119.3° |
| N10 | C5 | C6 | 123.4° | 120.1° |
| N10 | C5 | C4 | 118.4° | 120.6° |
| C5 | N10 | H13 | 119.2° | 119.6° |
| C22 | C21 | C23 | 122.3° | 120.0° |
| C21 | C22 | H5 | 119.7° | 120.0° |
| C21 | C23 | C24 | 103.0° | 109.5° |
| C21 | C23 | H6 | 111.1° | 109.4° |
| C21 | C23 | H7 | 111.0° | 109.5° |
| C12 | N11 | C6 | 125.5° | 120.0° |
| C12 | N11 | H3 | 105.3° | 120.0° |
| N11 | C12 | H15 | 109.5° | 109.5° |
| N11 | C12 | H16 | 109.4° | 109.4° |
| N11 | C12 | H17 | 109.4° | 109.5° |
| N11 | C6 | C5 | 120.8° | 120.2° |
| N11 | C6 | C1 | 121.2° | 120.1° |
| C6 | N11 | H3 | 105.3° | 120.0° |
| C23 | C24 | O25 | 118.7° | 120.0° |
| C24 | C23 | H6 | 111.1° | 109.5° |
| C24 | C23 | H7 | 111.1° | 109.5° |
| C24 | O25 | H8 | 109.5° | 117.0° |
| C8 | C14 | O16 | 119.5° | 120.0° |
| C14 | C8 | C7 | 122.2° | 120.3° |
| C6 | C5 | C4 | 118.2° | 119.3° |
| C5 | C6 | C1 | 118.0° | 119.8° |
| C5 | C4 | C7 | 120.8° | 120.0° |
| C5 | C4 | C3 | 118.9° | 119.7° |
| C8 | C7 | C4 | 119.6° | 119.1° |
| C8 | C7 | H2 | 120.2° | 120.5° |
| C6 | C1 | C2 | 120.9° | 120.6° |
| C6 | C1 | H14 | 119.5° | 119.7° |
| C7 | C4 | C3 | 120.3° | 120.3° |
| C4 | C7 | H2 | 120.2° | 120.5° |
| C4 | C3 | C2 | 120.4° | 120.0° |
| C4 | C3 | H12 | 119.8° | 120.0° |
| C1 | C2 | C3 | 123.6° | 120.6° |
| C1 | C2 | H1 | 118.2° | 119.7° |
| C2 | C1 | H14 | 119.6° | 119.7° |
| C3 | C2 | H1 | 118.2° | 119.7° |
| C2 | C3 | H12 | 119.8° | 120.0° |
| H6 | C23 | H7 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H17 | 109.4° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C20 | H9 | 180.0° | 180.0° |
| C19 | C18 | C17 | H10 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 1.6° | 0.3° |
| C19 | C18 | C17 | N15 | 175.7° | 180.0° |
| C19 | C18 | C17 | C22 | 0.7° | 0.2° |
| C18 | C19 | C20 | H4 | 178.4° | 179.9° |
| C20 | C19 | C18 | C17 | 0.4° | 0.1° |
| C19 | C20 | C21 | H4 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 1.8° | 0.3° |
| C19 | C20 | C21 | C23 | 178.8° | 180.0° |
| C20 | C19 | C18 | H10 | 179.6° | 180.0° |
| C18 | C17 | N15 | C22 | 174.5° | 179.8° |
| C18 | C17 | N15 | C14 | 160.6° | 33.1° |
| C18 | C17 | C22 | C21 | 0.5° | 0.2° |
| C18 | C17 | C22 | H5 | 179.4° | 179.8° |
| C17 | C18 | C19 | H9 | 179.6° | 180.0° |
| C18 | C17 | N15 | H11 | 19.3° | 147.0° |
| C20 | C21 | C22 | C17 | 0.7° | 0.0° |
| C20 | C21 | C22 | C23 | 176.9° | 179.7° |
| C20 | C21 | C23 | C24 | 81.0° | 90.0° |
| C20 | C21 | C22 | H5 | 179.3° | 180.0° |
| C20 | C21 | C23 | H6 | 160.1° | 150.0° |
| C20 | C21 | C23 | H7 | 38.0° | 30.1° |
| C21 | C20 | C19 | H9 | 178.4° | 179.7° |
| O13 | C9 | N10 | C8 | 178.7° | 180.0° |
| O13 | C9 | N10 | C5 | 179.3° | 180.0° |
| O13 | C9 | C8 | C14 | 0.3° | 0.1° |
| O13 | C9 | C8 | C7 | 179.5° | 180.0° |
| O13 | C9 | N10 | H13 | 0.6° | 0.0° |
| C17 | N15 | C14 | H11 | 180.0° | 180.0° |
| N15 | C17 | C22 | C21 | 174.8° | 180.0° |
| C17 | N15 | C14 | C8 | 175.3° | 174.7° |
| C17 | N15 | C14 | O16 | 3.8° | 5.3° |
| N15 | C17 | C22 | H5 | 5.1° | 0.0° |
| N15 | C17 | C18 | H10 | 4.3° | 0.1° |
| C22 | C17 | N15 | C14 | 13.9° | 146.7° |
| C17 | C22 | C21 | H5 | 180.0° | 180.0° |
| C17 | C22 | C21 | C23 | 177.6° | 179.7° |
| C22 | C17 | C18 | H10 | 179.3° | 179.7° |
| C22 | C17 | N15 | H11 | 166.1° | 33.3° |
| O26 | C24 | C23 | C21 | 85.8° | 0.1° |
| O26 | C24 | C23 | O25 | 177.1° | 180.0° |
| O26 | C24 | C23 | H6 | 155.3° | 120.0° |
| O26 | C24 | C23 | H7 | 33.2° | 120.0° |
| O26 | C24 | O25 | H8 | 0.0° | 0.0° |
| N15 | C14 | C8 | C9 | 7.3° | 5.9° |
| N15 | C14 | C8 | O16 | 179.1° | 180.0° |
| N15 | C14 | C8 | C7 | 172.4° | 174.2° |
| C9 | N10 | C5 | H13 | 180.0° | 179.9° |
| N10 | C9 | C8 | C14 | 179.0° | 179.9° |
| C9 | N10 | C5 | C6 | 179.1° | 179.7° |
| C9 | N10 | C5 | C4 | 0.2° | 0.1° |
| N10 | C9 | C8 | C7 | 0.8° | 0.0° |
| C8 | C9 | N10 | C5 | 0.6° | 0.0° |
| C9 | C8 | C14 | C7 | 179.8° | 179.9° |
| C9 | C8 | C14 | O16 | 173.6° | 174.2° |
| C9 | C8 | C7 | C4 | 0.5° | 0.0° |
| C9 | C8 | C7 | H2 | 179.5° | 180.0° |
| C8 | C9 | N10 | H13 | 179.3° | 180.0° |
| N10 | C5 | C6 | N11 | 0.7° | 0.1° |
| N10 | C5 | C6 | C4 | 179.4° | 179.7° |
| N10 | C5 | C6 | C1 | 179.9° | 180.0° |
| N10 | C5 | C4 | C7 | 0.0° | 0.0° |
| N10 | C5 | C4 | C3 | 180.0° | 180.0° |
| C22 | C21 | C23 | C24 | 96.0° | 89.7° |
| C22 | C21 | C20 | H4 | 178.3° | 180.0° |
| C22 | C21 | C23 | H6 | 22.9° | 30.3° |
| C22 | C21 | C23 | H7 | 145.0° | 150.2° |
| C21 | C23 | C24 | H6 | 119.0° | 120.0° |
| C21 | C23 | C24 | H7 | 118.9° | 120.0° |
| C21 | C23 | C24 | O25 | 91.3° | 180.0° |
| C23 | C21 | C20 | H4 | 1.2° | 0.2° |
| C23 | C21 | C22 | H5 | 2.4° | 0.3° |
| C21 | C23 | H6 | H7 | 123.0° | 120.0° |
| C12 | N11 | C6 | H3 | 122.2° | 179.9° |
| C12 | N11 | C6 | C5 | 175.7° | 180.0° |
| C12 | N11 | C6 | C1 | 3.4° | 0.1° |
| N11 | C12 | H15 | H16 | 120.0° | 119.9° |
| N11 | C12 | H15 | H17 | 120.0° | 120.0° |
| N11 | C12 | H16 | H17 | 120.0° | 119.9° |
| N11 | C6 | C5 | C1 | 179.2° | 179.9° |
| N11 | C6 | C5 | C4 | 180.0° | 179.8° |
| N11 | C6 | C1 | C2 | 179.8° | 179.9° |
| N11 | C6 | C1 | H14 | 0.2° | 0.1° |
| C6 | N11 | C12 | H15 | 180.0° | 60.0° |
| C6 | N11 | C12 | H16 | 60.0° | 60.1° |
| C6 | N11 | C12 | H17 | 60.0° | 180.0° |
| C24 | C23 | H6 | H7 | 123.0° | 120.0° |
| C23 | C24 | O25 | H8 | 176.9° | 180.0° |
| O25 | C24 | C23 | H6 | 27.7° | 60.0° |
| O25 | C24 | C23 | H7 | 149.8° | 60.0° |
| C14 | C8 | C7 | C4 | 179.3° | 180.0° |
| C14 | C8 | C7 | H2 | 0.7° | 0.0° |
| C8 | C14 | N15 | H11 | 4.7° | 5.4° |
| O16 | C14 | C8 | C7 | 6.7° | 5.8° |
| O16 | C14 | N15 | H11 | 176.3° | 174.6° |
| C6 | C5 | C4 | C7 | 179.4° | 179.7° |
| C6 | C5 | C4 | C3 | 0.6° | 0.2° |
| C5 | C6 | C1 | C2 | 0.6° | 0.0° |
| C5 | C6 | N11 | H3 | 53.5° | 0.1° |
| C6 | C5 | N10 | H13 | 0.9° | 0.3° |
| C5 | C6 | C1 | H14 | 179.4° | 180.0° |
| C5 | C4 | C7 | C8 | 0.1° | 0.0° |
| C4 | C5 | C6 | C1 | 0.8° | 0.3° |
| C5 | C4 | C7 | C3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C5 | C4 | C7 | H2 | 179.9° | 180.0° |
| C5 | C4 | C3 | H12 | 179.8° | 180.0° |
| C4 | C5 | N10 | H13 | 179.7° | 180.0° |
| C8 | C7 | C4 | H2 | 180.0° | 180.0° |
| C8 | C7 | C4 | C3 | 179.9° | 180.0° |
| C6 | C1 | C2 | H14 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.3° |
| C6 | C1 | C2 | H1 | 179.7° | 180.0° |
| C1 | C6 | N11 | H3 | 125.6° | 180.0° |
| C7 | C4 | C3 | C2 | 179.8° | 180.0° |
| C7 | C4 | C3 | H12 | 0.2° | 0.1° |
| C4 | C3 | C2 | C1 | 0.0° | 0.3° |
| C4 | C3 | C2 | H12 | 180.0° | 179.9° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C3 | C4 | C7 | H2 | 0.1° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.6° |
| C1 | C2 | C3 | H12 | 179.9° | 179.7° |
| C3 | C2 | C1 | H14 | 179.7° | 179.7° |
| H1 | C2 | C3 | H12 | 0.1° | 0.1° |
| H1 | C2 | C1 | H14 | 0.3° | 0.1° |
| H3 | N11 | C12 | H15 | 57.8° | 119.9° |
| H3 | N11 | C12 | H16 | 62.2° | 120.0° |
| H3 | N11 | C12 | H17 | 177.8° | 0.1° |
| H4 | C20 | C19 | H9 | 1.6° | 0.0° |
| H9 | C19 | C18 | H10 | 0.3° | 0.1° |
| H15 | C12 | H16 | H17 | 120.0° | 120.1° |
