8HZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.39Å | Aromatic |
| C4 | N | sing | 1.37Å | 1.34Å | Aromatic |
| N2 | C14 | sing | 1.40Å | 1.36Å | |
| N2 | C | sing | 1.40Å | 1.36Å | |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| N | C | sing | 1.37Å | 1.34Å | Aromatic |
| N | C1 | sing | 1.38Å | 1.35Å | Aromatic |
| C | C7 | doub | 1.38Å | 1.47Å | Aromatic |
| C6 | C2 | doub | 1.36Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.49Å | Aromatic |
| C1 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C7 | N1 | sing | 1.34Å | 1.35Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.49Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | O | sing | 1.36Å | 1.36Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| O | H13 | sing | 0.97Å | 0.95Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C4 | H17 | sing | 1.08Å | 1.08Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 120.4° | 119.9° |
| C15 | C16 | C19 | 119.9° | 120.0° |
| C16 | C15 | H7 | 119.8° | 120.0° |
| C15 | C16 | H15 | 120.0° | 120.0° |
| C15 | C14 | N2 | 119.2° | 120.1° |
| C15 | C14 | C17 | 119.4° | 119.8° |
| C14 | C15 | H7 | 119.8° | 120.1° |
| C16 | C19 | C20 | 119.6° | 119.9° |
| C16 | C19 | C18 | 120.0° | 120.2° |
| C19 | C16 | H15 | 120.0° | 120.0° |
| C5 | C4 | N | 121.7° | 120.6° |
| C4 | C5 | C6 | 120.8° | 120.3° |
| C4 | C5 | H1 | 119.6° | 119.9° |
| C5 | C4 | H17 | 119.2° | 119.7° |
| C4 | N | C | 133.7° | 132.4° |
| C4 | N | C1 | 121.0° | 120.4° |
| N | C4 | H17 | 119.2° | 119.7° |
| C14 | N2 | C | 123.6° | 120.0° |
| N2 | C14 | C17 | 121.4° | 120.1° |
| C14 | N2 | H14 | 118.2° | 120.0° |
| N2 | C | N | 125.9° | 126.6° |
| N2 | C | C7 | 123.7° | 126.6° |
| C | N2 | H14 | 118.2° | 120.0° |
| C5 | C6 | C2 | 118.9° | 119.8° |
| C6 | C5 | H1 | 119.6° | 119.8° |
| C5 | C6 | H2 | 120.5° | 120.1° |
| C14 | C17 | C18 | 120.4° | 119.9° |
| C14 | C17 | H8 | 119.8° | 120.1° |
| C20 | C19 | C18 | 120.4° | 119.9° |
| C19 | C20 | H10 | 109.5° | 109.5° |
| C19 | C20 | H11 | 109.5° | 109.5° |
| C19 | C20 | H12 | 109.5° | 109.5° |
| C19 | C18 | C17 | 119.9° | 120.1° |
| C19 | C18 | H9 | 120.1° | 119.9° |
| C | N | C1 | 105.3° | 107.3° |
| N | C | C7 | 110.5° | 106.8° |
| N | C1 | C2 | 119.1° | 119.5° |
| N | C1 | N1 | 111.7° | 108.6° |
| C | C7 | N1 | 103.1° | 108.0° |
| C | C7 | C8 | 131.0° | 126.0° |
| C6 | C2 | C1 | 118.6° | 119.4° |
| C6 | C2 | C3 | 120.9° | 120.3° |
| C2 | C6 | H2 | 120.6° | 120.1° |
| C18 | C17 | H8 | 119.8° | 120.0° |
| C17 | C18 | H9 | 120.0° | 120.0° |
| C2 | C1 | N1 | 129.2° | 131.9° |
| C1 | C2 | C3 | 120.5° | 120.3° |
| C1 | N1 | C7 | 109.4° | 109.3° |
| C2 | C3 | H18 | 109.5° | 109.4° |
| C2 | C3 | H19 | 109.5° | 109.5° |
| C2 | C3 | H20 | 109.5° | 109.5° |
| N1 | C7 | C8 | 125.9° | 126.0° |
| C7 | C8 | C9 | 117.5° | 120.1° |
| C7 | C8 | C11 | 121.9° | 120.1° |
| C9 | C8 | C11 | 120.6° | 119.9° |
| C8 | C9 | C10 | 120.4° | 119.9° |
| C8 | C9 | H3 | 119.8° | 120.0° |
| C8 | C11 | C12 | 119.0° | 119.9° |
| C8 | C11 | H5 | 120.5° | 120.1° |
| C9 | C10 | C13 | 119.5° | 120.0° |
| C10 | C9 | H3 | 119.8° | 120.0° |
| C9 | C10 | H4 | 120.3° | 120.0° |
| C11 | C12 | C13 | 120.5° | 120.1° |
| C12 | C11 | H5 | 120.5° | 120.0° |
| C11 | C12 | H6 | 119.8° | 120.0° |
| C10 | C13 | C12 | 120.1° | 120.1° |
| C10 | C13 | O | 118.9° | 119.9° |
| C13 | C10 | H4 | 120.3° | 120.0° |
| C12 | C13 | O | 121.0° | 120.0° |
| C13 | C12 | H6 | 119.8° | 119.9° |
| C13 | O | H13 | 109.5° | 114.0° |
| H10 | C20 | H11 | 109.4° | 109.4° |
| H10 | C20 | H12 | 109.4° | 109.5° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H18 | C3 | H20 | 109.5° | 109.4° |
| H19 | C3 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H7 | 180.0° | 179.9° |
| C15 | C16 | C19 | H15 | 180.0° | 179.9° |
| C16 | C15 | C14 | N2 | 179.7° | 179.8° |
| C16 | C15 | C14 | C17 | 0.3° | 0.0° |
| C15 | C16 | C19 | C20 | 179.9° | 180.0° |
| C15 | C16 | C19 | C18 | 0.1° | 0.1° |
| C14 | C15 | C16 | C19 | 0.0° | 0.1° |
| C15 | C14 | N2 | C17 | 179.9° | 179.8° |
| C15 | C14 | N2 | C | 167.1° | 6.3° |
| C15 | C14 | C17 | C18 | 0.7° | 0.0° |
| C15 | C14 | C17 | H8 | 179.3° | 180.0° |
| C15 | C14 | N2 | H14 | 12.9° | 173.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C16 | C19 | C20 | C18 | 179.8° | 179.9° |
| C16 | C19 | C18 | C17 | 0.5° | 0.2° |
| C19 | C16 | C15 | H7 | 180.0° | 180.0° |
| C16 | C19 | C18 | H9 | 179.5° | 180.0° |
| C16 | C19 | C20 | H10 | 90.1° | 89.9° |
| C16 | C19 | C20 | H11 | 149.9° | 30.0° |
| C16 | C19 | C20 | H12 | 29.9° | 150.1° |
| C5 | C4 | N | H17 | 180.0° | 179.3° |
| C4 | C5 | C6 | H1 | 180.0° | 179.5° |
| C5 | C4 | N | C | 179.3° | 179.5° |
| C5 | C4 | N | C1 | 0.2° | 0.4° |
| C4 | C5 | C6 | C2 | 0.2° | 0.5° |
| C4 | C5 | C6 | H2 | 179.8° | 179.5° |
| C4 | N | C | N2 | 1.0° | 0.1° |
| N | C4 | C5 | C6 | 0.2° | 0.7° |
| C4 | N | C | C1 | 179.5° | 179.9° |
| C4 | N | C | C7 | 179.7° | 180.0° |
| C4 | N | C1 | C2 | 0.1° | 0.1° |
| C4 | N | C1 | N1 | 179.9° | 179.9° |
| N | C4 | C5 | H1 | 179.8° | 179.8° |
| C14 | N2 | C | H14 | 180.0° | 179.9° |
| C14 | N2 | C | N | 55.2° | 69.5° |
| C14 | N2 | C | C7 | 125.6° | 110.4° |
| N2 | C14 | C17 | C18 | 179.4° | 179.8° |
| N2 | C14 | C15 | H7 | 0.2° | 0.3° |
| N2 | C14 | C17 | H8 | 0.6° | 0.2° |
| C | N2 | C14 | C17 | 12.9° | 174.0° |
| N2 | C | N | C7 | 179.3° | 179.9° |
| N2 | C | N | C1 | 179.5° | 179.9° |
| N2 | C | C7 | N1 | 179.2° | 180.0° |
| N2 | C | C7 | C8 | 0.8° | 0.2° |
| C5 | C6 | C2 | H2 | 180.0° | 179.9° |
| C5 | C6 | C2 | C1 | 0.1° | 0.0° |
| C5 | C6 | C2 | C3 | 180.0° | 179.9° |
| C6 | C5 | C4 | H17 | 179.8° | 180.0° |
| C14 | C17 | C18 | C19 | 0.8° | 0.1° |
| C14 | C17 | C18 | H8 | 180.0° | 180.0° |
| C17 | C14 | C15 | H7 | 179.7° | 179.9° |
| C14 | C17 | C18 | H9 | 179.2° | 180.0° |
| C17 | C14 | N2 | H14 | 167.1° | 6.1° |
| C20 | C19 | C18 | C17 | 179.8° | 179.9° |
| C20 | C19 | C18 | H9 | 0.3° | 0.1° |
| C19 | C20 | H10 | H11 | 120.0° | 120.0° |
| C19 | C20 | H10 | H12 | 120.0° | 120.0° |
| C19 | C20 | H11 | H12 | 120.0° | 120.0° |
| C20 | C19 | C16 | H15 | 0.2° | 0.0° |
| C19 | C18 | C17 | H9 | 180.0° | 179.8° |
| C19 | C18 | C17 | H8 | 179.3° | 179.9° |
| C18 | C19 | C20 | H10 | 90.1° | 90.0° |
| C18 | C19 | C20 | H11 | 29.9° | 150.1° |
| C18 | C19 | C20 | H12 | 149.9° | 30.0° |
| C18 | C19 | C16 | H15 | 179.9° | 179.9° |
| C | N | C1 | C2 | 179.5° | 180.0° |
| C | N | C1 | N1 | 0.5° | 0.2° |
| N | C | C7 | N1 | 0.2° | 0.1° |
| N | C | C7 | C8 | 178.6° | 179.9° |
| N | C | N2 | H14 | 124.8° | 110.5° |
| C | N | C4 | H17 | 0.7° | 0.2° |
| C1 | N | C | C7 | 0.2° | 0.1° |
| N | C1 | C2 | C6 | 0.0° | 0.3° |
| N | C1 | C2 | N1 | 180.0° | 179.7° |
| N | C1 | C2 | C3 | 179.9° | 179.7° |
| N | C1 | N1 | C7 | 0.6° | 0.3° |
| C1 | N | C4 | H17 | 179.8° | 179.7° |
| C | C7 | N1 | C1 | 0.4° | 0.2° |
| C | C7 | N1 | C8 | 178.5° | 179.8° |
| C | C7 | C8 | C9 | 143.2° | 145.2° |
| C | C7 | C8 | C11 | 36.5° | 35.0° |
| C7 | C | N2 | H14 | 54.4° | 69.5° |
| C6 | C2 | C1 | C3 | 179.9° | 179.9° |
| C6 | C2 | C1 | N1 | 180.0° | 180.0° |
| C2 | C6 | C5 | H1 | 179.9° | 180.0° |
| C6 | C2 | C3 | H18 | 90.0° | 90.1° |
| C6 | C2 | C3 | H19 | 150.0° | 29.9° |
| C6 | C2 | C3 | H20 | 30.0° | 150.0° |
| C2 | C1 | N1 | C7 | 179.4° | 180.0° |
| C1 | C2 | C6 | H2 | 179.9° | 179.9° |
| C1 | C2 | C3 | H18 | 90.1° | 90.0° |
| C1 | C2 | C3 | H19 | 29.9° | 150.0° |
| C1 | C2 | C3 | H20 | 149.9° | 29.9° |
| N1 | C1 | C2 | C3 | 0.1° | 0.0° |
| C1 | N1 | C7 | C8 | 179.0° | 180.0° |
| C3 | C2 | C6 | H2 | 0.0° | 0.0° |
| C2 | C3 | H18 | H19 | 120.0° | 120.0° |
| C2 | C3 | H18 | H20 | 120.0° | 119.9° |
| C2 | C3 | H19 | H20 | 120.0° | 120.1° |
| N1 | C7 | C8 | C9 | 34.9° | 35.0° |
| N1 | C7 | C8 | C11 | 145.4° | 144.7° |
| C7 | C8 | C9 | C11 | 179.6° | 179.7° |
| C7 | C8 | C9 | C10 | 179.8° | 180.0° |
| C7 | C8 | C11 | C12 | 179.8° | 180.0° |
| C7 | C8 | C9 | H3 | 0.2° | 0.0° |
| C7 | C8 | C11 | H5 | 0.2° | 0.0° |
| C8 | C9 | C10 | H3 | 180.0° | 180.0° |
| C9 | C8 | C11 | C12 | 0.2° | 0.2° |
| C8 | C9 | C10 | C13 | 0.0° | 0.0° |
| C8 | C9 | C10 | H4 | 180.0° | 179.9° |
| C9 | C8 | C11 | H5 | 179.8° | 179.7° |
| C11 | C8 | C9 | C10 | 0.1° | 0.2° |
| C8 | C11 | C12 | H5 | 180.0° | 180.0° |
| C8 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C8 | C9 | H3 | 179.9° | 179.8° |
| C8 | C11 | C12 | H6 | 179.9° | 180.0° |
| C9 | C10 | C13 | H4 | 180.0° | 179.9° |
| C9 | C10 | C13 | C12 | 0.0° | 0.3° |
| C9 | C10 | C13 | O | 179.9° | 180.0° |
| C11 | C12 | C13 | C10 | 0.0° | 0.3° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | O | 179.9° | 180.0° |
| C10 | C13 | C12 | O | 179.9° | 179.7° |
| C13 | C10 | C9 | H3 | 180.0° | 180.0° |
| C10 | C13 | C12 | H6 | 180.0° | 179.7° |
| C10 | C13 | O | H13 | 180.0° | 90.0° |
| C12 | C13 | C10 | H4 | 180.0° | 179.8° |
| C13 | C12 | C11 | H5 | 179.9° | 180.0° |
| C12 | C13 | O | H13 | 0.1° | 89.8° |
| O | C13 | C10 | H4 | 0.1° | 0.1° |
| O | C13 | C12 | H6 | 0.1° | 0.0° |
| H1 | C5 | C6 | H2 | 0.1° | 0.1° |
| H1 | C5 | C4 | H17 | 0.2° | 0.5° |
| H3 | C9 | C10 | H4 | 0.0° | 0.0° |
| H5 | C11 | C12 | H6 | 0.1° | 0.0° |
| H7 | C15 | C16 | H15 | 0.0° | 0.1° |
| H8 | C17 | C18 | H9 | 0.8° | 0.1° |
| H10 | C20 | H11 | H12 | 120.0° | 120.0° |
| H18 | C3 | H19 | H20 | 120.0° | 120.0° |
