1E0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.42Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.36Å | Aromatic |
| C6 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.44Å | |
| C10 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
| N1 | N2 | sing | 1.28Å | 1.35Å | Aromatic |
| N1 | C3 | sing | 1.36Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.43Å | Aromatic |
| N2 | C1 | doub | 1.32Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.36Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | O3 | sing | 1.36Å | 1.36Å | |
| C1 | C2 | sing | 1.42Å | 1.44Å | Aromatic |
| C1 | C5 | sing | 1.47Å | 1.46Å | |
| C2 | N3 | sing | 1.40Å | 1.39Å | |
| O1 | C4 | doub | 1.21Å | 1.24Å | |
| N5 | C5 | sing | 1.35Å | 1.37Å | |
| C5 | O2 | doub | 1.22Å | 1.24Å | |
| O3 | C16 | sing | 1.43Å | 1.42Å | |
| N3 | C4 | sing | 1.35Å | 1.40Å | |
| C4 | N4 | sing | 1.35Å | 1.39Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| N4 | H3 | sing | 0.97Å | 1.00Å | |
| N5 | H5 | sing | 0.97Å | 1.00Å | |
| N5 | H6 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 120.3° | 121.0° |
| C8 | C9 | C11 | 120.8° | 120.0° |
| C9 | C8 | H8 | 119.8° | 119.5° |
| C8 | C9 | H9 | 119.6° | 120.0° |
| C8 | C7 | C6 | 119.2° | 120.8° |
| C8 | C7 | H7 | 120.4° | 119.6° |
| C7 | C8 | H8 | 119.9° | 119.5° |
| C9 | C11 | C12 | 120.7° | 121.1° |
| C9 | C11 | C10 | 120.2° | 119.5° |
| C11 | C9 | H9 | 119.6° | 120.1° |
| C7 | C6 | C10 | 122.3° | 119.4° |
| C7 | C6 | N1 | 118.1° | 120.3° |
| C6 | C7 | H7 | 120.4° | 119.6° |
| C12 | C11 | C10 | 119.2° | 119.4° |
| C11 | C12 | C13 | 120.9° | 119.7° |
| C11 | C12 | H10 | 119.6° | 120.1° |
| C11 | C10 | C6 | 117.3° | 119.3° |
| C11 | C10 | C15 | 120.1° | 119.5° |
| C12 | C13 | C14 | 119.3° | 121.0° |
| C13 | C12 | H10 | 119.5° | 120.1° |
| C12 | C13 | H11 | 120.4° | 119.5° |
| C10 | C6 | N1 | 119.7° | 120.3° |
| C6 | C10 | C15 | 122.6° | 121.2° |
| C6 | N1 | N2 | 121.7° | 124.9° |
| C6 | N1 | C3 | 124.6° | 124.9° |
| C10 | C15 | C14 | 119.2° | 119.6° |
| C10 | C15 | H12 | 120.4° | 120.2° |
| N2 | N1 | C3 | 113.6° | 110.2° |
| N1 | N2 | C1 | 105.2° | 110.2° |
| N1 | C3 | C2 | 104.8° | 107.0° |
| N1 | C3 | H1 | 127.6° | 126.4° |
| C13 | C14 | C15 | 121.5° | 120.8° |
| C13 | C14 | O3 | 113.1° | 119.6° |
| C14 | C13 | H11 | 120.4° | 119.6° |
| N2 | C1 | C2 | 110.2° | 107.1° |
| N2 | C1 | C5 | 123.6° | 126.4° |
| C3 | C2 | C1 | 106.2° | 105.4° |
| C3 | C2 | N3 | 130.3° | 127.3° |
| C2 | C3 | H1 | 127.6° | 126.5° |
| C15 | C14 | O3 | 125.5° | 119.6° |
| C14 | C15 | H12 | 120.4° | 120.2° |
| C14 | O3 | C16 | 117.1° | 117.0° |
| C2 | C1 | C5 | 126.2° | 126.5° |
| C1 | C2 | N3 | 123.5° | 127.3° |
| C1 | C5 | N5 | 118.0° | 120.0° |
| C1 | C5 | O2 | 121.3° | 120.0° |
| C2 | N3 | C4 | 122.2° | 119.9° |
| C2 | N3 | H2 | 118.9° | 120.0° |
| O1 | C4 | N3 | 123.5° | 120.0° |
| O1 | C4 | N4 | 121.1° | 120.0° |
| N5 | C5 | O2 | 120.7° | 120.0° |
| C5 | N5 | H5 | 120.0° | 120.0° |
| C5 | N5 | H6 | 120.0° | 120.0° |
| O3 | C16 | C17 | 105.4° | 109.5° |
| O3 | C16 | H14 | 110.5° | 109.4° |
| O3 | C16 | H13 | 110.5° | 109.5° |
| N3 | C4 | N4 | 115.5° | 120.0° |
| C4 | N3 | H2 | 118.9° | 120.0° |
| C4 | N4 | H4 | 120.0° | 120.0° |
| C4 | N4 | H3 | 120.0° | 120.0° |
| C16 | C17 | C18 | 110.8° | 109.5° |
| C17 | C16 | H14 | 110.5° | 109.5° |
| C17 | C16 | H13 | 110.5° | 109.5° |
| C16 | C17 | H15 | 109.1° | 109.5° |
| C16 | C17 | H16 | 109.1° | 109.5° |
| C18 | C17 | H15 | 109.1° | 109.5° |
| C18 | C17 | H16 | 109.1° | 109.5° |
| C17 | C18 | H18 | 109.5° | 109.4° |
| C17 | C18 | H17 | 109.5° | 109.5° |
| C17 | C18 | H19 | 109.5° | 109.5° |
| H4 | N4 | H3 | 120.0° | 120.0° |
| H5 | N5 | H6 | 120.0° | 120.0° |
| H14 | C16 | H13 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.5° | 109.4° |
| H18 | C18 | H17 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H17 | C18 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C8 | C9 | C11 | H9 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.3° | 0.0° |
| C8 | C9 | C11 | C12 | 178.7° | 180.0° |
| C8 | C9 | C11 | C10 | 0.9° | 0.0° |
| C9 | C8 | C7 | H7 | 179.6° | 179.9° |
| C7 | C8 | C9 | C11 | 0.8° | 0.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C10 | 0.1° | 0.0° |
| C8 | C7 | C6 | N1 | 179.9° | 179.7° |
| C7 | C8 | C9 | H9 | 179.2° | 179.9° |
| C9 | C11 | C12 | C10 | 179.6° | 180.0° |
| C9 | C11 | C12 | C13 | 179.8° | 180.0° |
| C9 | C11 | C10 | C6 | 0.4° | 0.0° |
| C9 | C11 | C10 | C15 | 179.8° | 179.7° |
| C11 | C9 | C8 | H8 | 179.2° | 180.0° |
| C9 | C11 | C12 | H10 | 0.2° | 0.0° |
| C7 | C6 | C10 | C11 | 0.0° | 0.0° |
| C7 | C6 | C10 | N1 | 180.0° | 179.7° |
| C7 | C6 | C10 | C15 | 179.8° | 179.7° |
| C7 | C6 | N1 | N2 | 119.9° | 131.7° |
| C7 | C6 | N1 | C3 | 63.5° | 48.0° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| C11 | C12 | C13 | H10 | 180.0° | 179.9° |
| C12 | C11 | C10 | C6 | 179.2° | 180.0° |
| C12 | C11 | C10 | C15 | 0.6° | 0.3° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C11 | C9 | H9 | 1.3° | 0.1° |
| C11 | C12 | C13 | H11 | 179.8° | 180.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.0° |
| C11 | C10 | C6 | C15 | 179.8° | 179.7° |
| C11 | C10 | C6 | N1 | 180.0° | 179.7° |
| C11 | C10 | C15 | C14 | 0.3° | 0.4° |
| C10 | C11 | C9 | H9 | 179.1° | 179.9° |
| C10 | C11 | C12 | H10 | 179.4° | 180.0° |
| C11 | C10 | C15 | H12 | 179.8° | 179.7° |
| C12 | C13 | C14 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.2° | 0.2° |
| C12 | C13 | C14 | O3 | 179.3° | 180.0° |
| C10 | C6 | N1 | N2 | 60.1° | 48.0° |
| C10 | C6 | N1 | C3 | 116.5° | 132.3° |
| C6 | C10 | C15 | C14 | 179.9° | 179.8° |
| C10 | C6 | C7 | H7 | 179.9° | 179.9° |
| C6 | C10 | C15 | H12 | 0.0° | 0.0° |
| N1 | C6 | C10 | C15 | 0.2° | 0.0° |
| C6 | N1 | N2 | C3 | 176.9° | 179.8° |
| C6 | N1 | N2 | C1 | 176.4° | 179.8° |
| C6 | N1 | C3 | C2 | 176.4° | 179.8° |
| C6 | N1 | C3 | H1 | 3.6° | 0.2° |
| N1 | C6 | C7 | H7 | 0.0° | 0.3° |
| C10 | C15 | C14 | C13 | 1.2° | 0.4° |
| C10 | C15 | C14 | H12 | 180.0° | 179.8° |
| C10 | C15 | C14 | O3 | 179.4° | 179.8° |
| N2 | N1 | C3 | C2 | 0.4° | 0.0° |
| N1 | N2 | C1 | C2 | 0.4° | 0.0° |
| N1 | N2 | C1 | C5 | 179.5° | 180.0° |
| N2 | N1 | C3 | H1 | 179.6° | 180.0° |
| C3 | N1 | N2 | C1 | 0.5° | 0.0° |
| N1 | C3 | C2 | H1 | 180.0° | 180.0° |
| N1 | C3 | C2 | C1 | 0.1° | 0.0° |
| N1 | C3 | C2 | N3 | 179.1° | 180.0° |
| C13 | C14 | C15 | O3 | 179.4° | 179.8° |
| C13 | C14 | O3 | C16 | 178.4° | 0.0° |
| C14 | C13 | C12 | H10 | 179.8° | 179.9° |
| C13 | C14 | C15 | H12 | 178.9° | 179.7° |
| N2 | C1 | C2 | C3 | 0.2° | 0.0° |
| N2 | C1 | C2 | C5 | 179.9° | 180.0° |
| N2 | C1 | C2 | N3 | 178.9° | 180.0° |
| N2 | C1 | C5 | N5 | 5.1° | 0.0° |
| N2 | C1 | C5 | O2 | 174.4° | 180.0° |
| C3 | C2 | C1 | N3 | 179.1° | 180.0° |
| C3 | C2 | C1 | C5 | 179.8° | 180.0° |
| C3 | C2 | N3 | C4 | 1.4° | 0.0° |
| C3 | C2 | N3 | H2 | 178.6° | 180.0° |
| C15 | C14 | O3 | C16 | 2.2° | 179.8° |
| C15 | C14 | C13 | H11 | 178.8° | 179.8° |
| C14 | O3 | C16 | C17 | 174.6° | 180.0° |
| O3 | C14 | C13 | H11 | 0.7° | 0.0° |
| O3 | C14 | C15 | H12 | 0.6° | 0.1° |
| C14 | O3 | C16 | H14 | 66.1° | 60.0° |
| C14 | O3 | C16 | H13 | 55.2° | 60.0° |
| C2 | C1 | C5 | N5 | 175.0° | 180.0° |
| C2 | C1 | C5 | O2 | 5.5° | 0.0° |
| C1 | C2 | N3 | C4 | 179.8° | 180.0° |
| C1 | C2 | C3 | H1 | 179.9° | 180.0° |
| C1 | C2 | N3 | H2 | 0.3° | 0.1° |
| C5 | C1 | C2 | N3 | 1.2° | 0.0° |
| C1 | C5 | N5 | O2 | 179.5° | 180.0° |
| C1 | C5 | N5 | H5 | 179.5° | 0.0° |
| C1 | C5 | N5 | H6 | 0.5° | 180.0° |
| C2 | N3 | C4 | O1 | 0.3° | 0.0° |
| C2 | N3 | C4 | H2 | 180.0° | 180.0° |
| C2 | N3 | C4 | N4 | 179.9° | 179.9° |
| N3 | C2 | C3 | H1 | 0.9° | 0.0° |
| O1 | C4 | N3 | N4 | 179.5° | 179.9° |
| O1 | C4 | N3 | H2 | 179.7° | 180.0° |
| O1 | C4 | N4 | H4 | 0.0° | 180.0° |
| O1 | C4 | N4 | H3 | 180.0° | 0.1° |
| C5 | N5 | H5 | H6 | 180.0° | 179.9° |
| O2 | C5 | N5 | H5 | 0.0° | 180.0° |
| O2 | C5 | N5 | H6 | 180.0° | 0.0° |
| O3 | C16 | C17 | H14 | 119.4° | 119.9° |
| O3 | C16 | C17 | H13 | 119.4° | 120.0° |
| O3 | C16 | C17 | C18 | 66.0° | 180.0° |
| O3 | C16 | H14 | H13 | 121.9° | 120.0° |
| O3 | C16 | C17 | H15 | 54.3° | 60.0° |
| O3 | C16 | C17 | H16 | 173.8° | 60.0° |
| N3 | C4 | N4 | H4 | 179.6° | 0.0° |
| N3 | C4 | N4 | H3 | 0.4° | 179.9° |
| N4 | C4 | N3 | H2 | 0.2° | 0.0° |
| C4 | N4 | H4 | H3 | 180.0° | 179.9° |
| C16 | C17 | C18 | H15 | 120.2° | 120.0° |
| C16 | C17 | C18 | H16 | 120.2° | 120.0° |
| C17 | C16 | H14 | H13 | 121.8° | 120.0° |
| C16 | C17 | H15 | H16 | 119.4° | 120.0° |
| C16 | C17 | C18 | H18 | 180.0° | 60.0° |
| C16 | C17 | C18 | H17 | 60.0° | 60.0° |
| C16 | C17 | C18 | H19 | 60.0° | 180.0° |
| C18 | C17 | C16 | H14 | 174.7° | 60.1° |
| C18 | C17 | C16 | H13 | 53.4° | 60.0° |
| C18 | C17 | H15 | H16 | 119.4° | 120.0° |
| C17 | C18 | H18 | H17 | 120.0° | 120.0° |
| C17 | C18 | H18 | H19 | 120.0° | 120.0° |
| C17 | C18 | H17 | H19 | 120.0° | 120.0° |
| H7 | C7 | C8 | H8 | 0.3° | 0.1° |
| H8 | C8 | C9 | H9 | 0.8° | 0.1° |
| H10 | C12 | C13 | H11 | 0.3° | 0.0° |
| H14 | C16 | C17 | H15 | 65.1° | 179.9° |
| H14 | C16 | C17 | H16 | 54.5° | 60.0° |
| H13 | C16 | C17 | H15 | 173.6° | 60.0° |
| H13 | C16 | C17 | H16 | 66.8° | 180.0° |
| H15 | C17 | C18 | H18 | 59.7° | 179.9° |
| H15 | C17 | C18 | H17 | 179.8° | 60.0° |
| H15 | C17 | C18 | H19 | 60.3° | 60.0° |
| H16 | C17 | C18 | H18 | 59.8° | 60.0° |
| H16 | C17 | C18 | H17 | 60.2° | 179.9° |
| H16 | C17 | C18 | H19 | 179.8° | 60.0° |
| H18 | C18 | H17 | H19 | 120.0° | 120.0° |
