0E0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | doub | 1.37Å | 1.42Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C17 | doub | 1.37Å | 1.42Å | Aromatic |
| O4 | C3 | doub | 1.22Å | 1.23Å | |
| C5 | C3 | sing | 1.47Å | 1.50Å | |
| C5 | C6 | doub | 1.41Å | 1.45Å | Aromatic |
| C3 | N2 | sing | 1.34Å | 1.39Å | |
| C17 | C6 | sing | 1.40Å | 1.44Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.50Å | |
| N2 | C1 | sing | 1.37Å | 1.38Å | |
| C7 | C1 | doub | 1.34Å | 1.38Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C1 | C16 | sing | 1.51Å | 1.53Å | |
| C8 | O9 | sing | 1.43Å | 1.44Å | |
| C16 | C10 | sing | 1.52Å | 1.57Å | |
| O9 | C10 | sing | 1.43Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.57Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | C15 | sing | 1.53Å | 1.55Å | |
| C11 | C13 | sing | 1.53Å | 1.57Å | |
| C13 | O14 | sing | 1.43Å | 1.42Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| O14 | H10 | sing | 0.97Å | 0.95Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C18 | 120.2° | 120.9° |
| C19 | C20 | C5 | 119.8° | 119.4° |
| C20 | C19 | H18 | 119.9° | 119.5° |
| C19 | C20 | H19 | 120.1° | 120.3° |
| C19 | C18 | C17 | 120.3° | 120.9° |
| C19 | C18 | H17 | 119.9° | 119.5° |
| C18 | C19 | H18 | 119.9° | 119.6° |
| C20 | C5 | C3 | 119.8° | 122.2° |
| C20 | C5 | C6 | 121.1° | 119.7° |
| C5 | C20 | H19 | 120.1° | 120.3° |
| C18 | C17 | C6 | 120.8° | 119.5° |
| C18 | C17 | H16 | 119.6° | 120.3° |
| C17 | C18 | H17 | 119.8° | 119.5° |
| O4 | C3 | C5 | 122.4° | 120.5° |
| O4 | C3 | N2 | 121.4° | 120.5° |
| C3 | C5 | C6 | 119.1° | 118.0° |
| C5 | C3 | N2 | 116.2° | 119.1° |
| C5 | C6 | C17 | 117.7° | 119.6° |
| C5 | C6 | C7 | 119.1° | 118.8° |
| C3 | N2 | C1 | 125.6° | 123.1° |
| C3 | N2 | H20 | 117.2° | 118.4° |
| C17 | C6 | C7 | 123.2° | 121.6° |
| C6 | C17 | H16 | 119.6° | 120.2° |
| C6 | C7 | C1 | 118.8° | 119.5° |
| C6 | C7 | C8 | 121.3° | 118.3° |
| N2 | C1 | C7 | 121.2° | 121.5° |
| N2 | C1 | C16 | 116.7° | 117.3° |
| C1 | N2 | H20 | 117.2° | 118.5° |
| C1 | C7 | C8 | 119.8° | 122.2° |
| C7 | C1 | C16 | 122.2° | 121.2° |
| C7 | C8 | O9 | 111.8° | 110.7° |
| C7 | C8 | H2 | 108.9° | 109.3° |
| C7 | C8 | H3 | 108.9° | 109.2° |
| C1 | C16 | C10 | 110.5° | 110.2° |
| C1 | C16 | H14 | 109.2° | 109.4° |
| C1 | C16 | H15 | 109.2° | 109.3° |
| C8 | O9 | C10 | 112.6° | 112.7° |
| O9 | C8 | H2 | 108.9° | 109.3° |
| O9 | C8 | H3 | 108.9° | 109.2° |
| C16 | C10 | O9 | 106.5° | 108.6° |
| C16 | C10 | C11 | 116.2° | 109.9° |
| C16 | C10 | H4 | 107.7° | 109.3° |
| C10 | C16 | H14 | 109.2° | 108.9° |
| C10 | C16 | H15 | 109.2° | 109.7° |
| O9 | C10 | C11 | 109.4° | 109.7° |
| O9 | C10 | H4 | 109.2° | 109.7° |
| C10 | C11 | C12 | 112.7° | 109.5° |
| C10 | C11 | C15 | 110.1° | 109.5° |
| C10 | C11 | C13 | 107.1° | 109.5° |
| C11 | C10 | H4 | 107.7° | 109.7° |
| C12 | C11 | C15 | 107.8° | 109.5° |
| C12 | C11 | C13 | 109.9° | 109.5° |
| C11 | C12 | H5 | 109.5° | 109.5° |
| C11 | C12 | H6 | 109.4° | 109.5° |
| C11 | C12 | H7 | 109.4° | 109.5° |
| C15 | C11 | C13 | 109.2° | 109.4° |
| C11 | C15 | H11 | 109.5° | 109.4° |
| C11 | C15 | H12 | 109.5° | 109.5° |
| C11 | C15 | H13 | 109.5° | 109.4° |
| C11 | C13 | O14 | 112.8° | 109.5° |
| C11 | C13 | H8 | 108.7° | 109.4° |
| C11 | C13 | H9 | 108.7° | 109.5° |
| O14 | C13 | H8 | 108.6° | 109.4° |
| O14 | C13 | H9 | 108.6° | 109.6° |
| C13 | O14 | H10 | 109.5° | 113.9° |
| H2 | C8 | H3 | 109.5° | 109.2° |
| H5 | C12 | H6 | 109.5° | 109.4° |
| H5 | C12 | H7 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| C19 | C20 | C5 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C20 | C5 | C3 | 179.7° | 180.0° |
| C19 | C20 | C5 | C6 | 0.1° | 0.0° |
| C20 | C19 | C18 | H17 | 179.8° | 179.9° |
| C18 | C19 | C20 | C5 | 0.1° | 0.0° |
| C19 | C18 | C17 | H17 | 180.0° | 179.9° |
| C19 | C18 | C17 | C6 | 0.2° | 0.1° |
| C19 | C18 | C17 | H16 | 179.8° | 180.0° |
| C18 | C19 | C20 | H19 | 179.8° | 180.0° |
| C20 | C5 | C3 | O4 | 0.2° | 0.1° |
| C20 | C5 | C3 | C6 | 179.7° | 179.9° |
| C20 | C5 | C3 | N2 | 180.0° | 179.9° |
| C20 | C5 | C6 | C17 | 0.1° | 0.1° |
| C20 | C5 | C6 | C7 | 179.9° | 179.7° |
| C5 | C20 | C19 | H18 | 179.8° | 180.0° |
| C18 | C17 | C6 | C5 | 0.1° | 0.1° |
| C18 | C17 | C6 | H16 | 180.0° | 179.9° |
| C18 | C17 | C6 | C7 | 179.9° | 179.7° |
| C17 | C18 | C19 | H18 | 179.8° | 180.0° |
| O4 | C3 | C5 | N2 | 179.9° | 180.0° |
| O4 | C3 | C5 | C6 | 179.8° | 179.9° |
| O4 | C3 | N2 | C1 | 180.0° | 179.9° |
| O4 | C3 | N2 | H20 | 0.0° | 0.1° |
| C3 | C5 | C6 | C17 | 179.7° | 180.0° |
| C3 | C5 | C6 | C7 | 0.5° | 0.2° |
| C5 | C3 | N2 | C1 | 0.1° | 0.1° |
| C3 | C5 | C20 | H19 | 0.2° | 0.0° |
| C5 | C3 | N2 | H20 | 179.9° | 179.9° |
| C6 | C5 | C3 | N2 | 0.3° | 0.0° |
| C5 | C6 | C17 | C7 | 179.8° | 179.8° |
| C5 | C6 | C7 | C1 | 0.5° | 0.2° |
| C5 | C6 | C7 | C8 | 179.8° | 179.4° |
| C5 | C6 | C17 | H16 | 179.9° | 180.0° |
| C6 | C5 | C20 | H19 | 179.9° | 179.9° |
| C3 | N2 | C1 | H20 | 180.0° | 180.0° |
| C3 | N2 | C1 | C7 | 0.2° | 0.1° |
| C3 | N2 | C1 | C16 | 180.0° | 179.7° |
| C17 | C6 | C7 | C1 | 179.8° | 180.0° |
| C17 | C6 | C7 | C8 | 0.0° | 0.7° |
| C6 | C17 | C18 | H17 | 179.8° | 180.0° |
| C6 | C7 | C1 | N2 | 0.3° | 0.0° |
| C6 | C7 | C1 | C8 | 179.8° | 179.2° |
| C6 | C7 | C1 | C16 | 179.8° | 179.8° |
| C6 | C7 | C8 | O9 | 163.2° | 164.4° |
| C6 | C7 | C8 | H2 | 76.5° | 75.2° |
| C6 | C7 | C8 | H3 | 42.8° | 44.2° |
| C7 | C6 | C17 | H16 | 0.1° | 0.2° |
| N2 | C1 | C7 | C16 | 179.9° | 179.8° |
| N2 | C1 | C7 | C8 | 179.9° | 179.2° |
| N2 | C1 | C16 | C10 | 163.8° | 163.0° |
| N2 | C1 | C16 | H14 | 76.0° | 77.3° |
| N2 | C1 | C16 | H15 | 43.6° | 42.4° |
| C1 | C7 | C8 | O9 | 17.1° | 16.4° |
| C7 | C1 | C16 | C10 | 16.3° | 17.2° |
| C1 | C7 | C8 | H2 | 103.3° | 104.0° |
| C1 | C7 | C8 | H3 | 137.4° | 136.6° |
| C7 | C1 | C16 | H14 | 103.9° | 102.5° |
| C7 | C1 | C16 | H15 | 136.5° | 137.8° |
| C7 | C1 | N2 | H20 | 179.9° | 179.9° |
| C8 | C7 | C1 | C16 | 0.1° | 1.0° |
| C7 | C8 | O9 | H2 | 120.3° | 120.4° |
| C7 | C8 | O9 | H3 | 120.4° | 120.3° |
| C7 | C8 | O9 | C10 | 54.2° | 51.0° |
| C7 | C8 | H2 | H3 | 119.0° | 119.4° |
| C1 | C16 | C10 | H14 | 120.1° | 120.0° |
| C1 | C16 | C10 | H15 | 120.2° | 120.4° |
| C1 | C16 | C10 | O9 | 48.5° | 48.8° |
| C1 | C16 | C10 | C11 | 170.7° | 168.8° |
| C1 | C16 | C10 | H4 | 68.5° | 70.8° |
| C1 | C16 | H14 | H15 | 119.5° | 119.7° |
| C16 | C1 | N2 | H20 | 0.0° | 0.3° |
| C8 | O9 | C10 | C16 | 70.7° | 69.2° |
| C8 | O9 | C10 | C11 | 163.0° | 170.7° |
| O9 | C8 | H2 | H3 | 118.9° | 119.4° |
| C8 | O9 | C10 | H4 | 45.4° | 50.1° |
| C16 | C10 | O9 | C11 | 126.3° | 120.1° |
| C16 | C10 | O9 | H4 | 116.1° | 119.3° |
| C16 | C10 | C11 | H4 | 120.9° | 120.2° |
| C16 | C10 | C11 | C12 | 58.3° | 60.7° |
| C16 | C10 | C11 | C15 | 62.0° | 59.3° |
| C16 | C10 | C11 | C13 | 179.3° | 179.3° |
| C10 | C16 | H14 | H15 | 119.5° | 119.8° |
| O9 | C10 | C11 | H4 | 118.6° | 120.6° |
| O9 | C10 | C11 | C12 | 62.2° | 180.0° |
| O9 | C10 | C11 | C15 | 177.4° | 60.0° |
| O9 | C10 | C11 | C13 | 58.8° | 60.0° |
| C10 | O9 | C8 | H2 | 66.1° | 69.4° |
| C10 | O9 | C8 | H3 | 174.6° | 171.3° |
| O9 | C10 | C16 | H14 | 71.6° | 71.1° |
| O9 | C10 | C16 | H15 | 168.7° | 169.2° |
| C10 | C11 | C12 | C15 | 121.7° | 120.0° |
| C10 | C11 | C12 | C13 | 119.4° | 120.0° |
| C10 | C11 | C15 | C13 | 117.4° | 120.0° |
| C10 | C11 | C13 | O14 | 174.8° | 179.9° |
| C10 | C11 | C12 | H5 | 180.0° | 60.1° |
| C10 | C11 | C12 | H6 | 60.0° | 180.0° |
| C10 | C11 | C12 | H7 | 60.0° | 60.0° |
| C10 | C11 | C13 | H8 | 54.3° | 60.0° |
| C10 | C11 | C13 | H9 | 64.7° | 59.9° |
| C10 | C11 | C15 | H11 | 180.0° | 60.0° |
| C10 | C11 | C15 | H12 | 60.0° | 180.0° |
| C10 | C11 | C15 | H13 | 60.0° | 60.0° |
| C11 | C10 | C16 | H14 | 50.5° | 48.8° |
| C11 | C10 | C16 | H15 | 69.2° | 70.8° |
| C12 | C11 | C15 | C13 | 119.4° | 120.0° |
| C12 | C11 | C13 | O14 | 62.5° | 59.9° |
| C12 | C11 | C10 | H4 | 179.2° | 59.4° |
| C11 | C12 | H5 | H6 | 120.0° | 120.0° |
| C11 | C12 | H5 | H7 | 120.0° | 120.0° |
| C11 | C12 | H6 | H7 | 120.0° | 120.0° |
| C12 | C11 | C13 | H8 | 177.0° | 60.0° |
| C12 | C11 | C13 | H9 | 58.0° | 179.9° |
| C12 | C11 | C15 | H11 | 56.7° | 60.0° |
| C12 | C11 | C15 | H12 | 63.3° | 60.0° |
| C12 | C11 | C15 | H13 | 176.7° | 180.0° |
| C15 | C11 | C13 | O14 | 55.5° | 60.0° |
| C15 | C11 | C10 | H4 | 58.9° | 179.4° |
| C15 | C11 | C12 | H5 | 58.3° | 179.9° |
| C15 | C11 | C12 | H6 | 178.3° | 60.0° |
| C15 | C11 | C12 | H7 | 61.7° | 60.0° |
| C15 | C11 | C13 | H8 | 65.0° | 180.0° |
| C15 | C11 | C13 | H9 | 176.0° | 60.1° |
| C11 | C15 | H11 | H12 | 120.0° | 120.0° |
| C11 | C15 | H11 | H13 | 120.0° | 120.0° |
| C11 | C15 | H12 | H13 | 120.0° | 120.0° |
| C11 | C13 | O14 | H8 | 120.5° | 119.9° |
| C11 | C13 | O14 | H9 | 120.5° | 120.1° |
| C13 | C11 | C10 | H4 | 59.8° | 60.6° |
| C13 | C11 | C12 | H5 | 60.6° | 60.0° |
| C13 | C11 | C12 | H6 | 59.4° | 59.9° |
| C13 | C11 | C12 | H7 | 179.4° | 180.0° |
| C11 | C13 | H8 | H9 | 118.5° | 120.0° |
| C11 | C13 | O14 | H10 | 180.0° | 180.0° |
| C13 | C11 | C15 | H11 | 62.6° | 180.0° |
| C13 | C11 | C15 | H12 | 177.4° | 60.0° |
| C13 | C11 | C15 | H13 | 57.4° | 60.0° |
| O14 | C13 | H8 | H9 | 118.5° | 120.1° |
| H4 | C10 | C16 | H14 | 171.4° | 169.3° |
| H4 | C10 | C16 | H15 | 51.7° | 49.6° |
| H5 | C12 | H6 | H7 | 120.0° | 120.0° |
| H8 | C13 | O14 | H10 | 59.5° | 60.1° |
| H9 | C13 | O14 | H10 | 59.5° | 59.9° |
| H11 | C15 | H12 | H13 | 120.0° | 120.1° |
| H16 | C17 | C18 | H17 | 0.2° | 0.1° |
| H17 | C18 | C19 | H18 | 0.2° | 0.1° |
| H18 | C19 | C20 | H19 | 0.2° | 0.0° |
