879
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C14 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C16 | sing | 1.32Å | 1.35Å | Aromatic |
| O1 | C19 | sing | 1.36Å | 1.38Å | |
| O1 | C20 | sing | 1.36Å | 1.37Å | |
| CL1 | C21 | sing | 1.74Å | 1.73Å | |
| C2 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C15 | sing | 1.32Å | 1.35Å | Aromatic |
| N2 | C16 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | C24 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C25 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| N4 | C22 | sing | 1.37Å | 1.39Å | Aromatic |
| N4 | C23 | sing | 1.37Å | 1.38Å | Aromatic |
| N4 | C26 | sing | 1.47Å | 1.46Å | |
| C5 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| N5 | C25 | sing | 1.39Å | 1.39Å | |
| C6 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C22 | doub | 1.36Å | 1.39Å | Aromatic |
| C11 | C23 | doub | 1.36Å | 1.38Å | Aromatic |
| C12 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C22 | sing | 1.48Å | 1.47Å | Aromatic |
| C18 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C23 | sing | 1.48Å | 1.46Å | Aromatic |
| C24 | C26 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| N5 | HN5A | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 120.4° | 120.2° |
| C1 | C2 | C9 | 120.1° | 120.3° |
| C2 | C1 | H1 | 119.8° | 119.9° |
| C1 | C2 | H2 | 119.9° | 119.9° |
| C1 | C4 | C18 | 120.1° | 119.9° |
| C4 | C1 | H1 | 119.8° | 119.9° |
| C1 | C4 | H4 | 120.0° | 120.0° |
| C14 | N1 | C16 | 115.0° | 120.9° |
| N1 | C14 | C20 | 123.5° | 119.0° |
| N1 | C14 | H14 | 118.3° | 120.5° |
| N1 | C16 | N2 | 127.0° | 121.9° |
| N1 | C16 | H16 | 116.5° | 119.1° |
| C19 | O1 | C20 | 122.1° | 118.0° |
| O1 | C19 | C7 | 124.3° | 119.9° |
| O1 | C19 | C8 | 115.5° | 119.9° |
| O1 | C20 | C14 | 125.0° | 120.9° |
| O1 | C20 | C15 | 119.1° | 120.8° |
| CL1 | C21 | C9 | 117.8° | 120.1° |
| CL1 | C21 | C18 | 121.4° | 120.1° |
| C2 | C9 | C21 | 119.6° | 120.2° |
| C9 | C2 | H2 | 120.0° | 119.9° |
| C2 | C9 | H9 | 120.2° | 119.9° |
| C15 | N2 | C16 | 115.1° | 120.9° |
| N2 | C15 | C20 | 123.5° | 119.0° |
| N2 | C15 | H15 | 118.3° | 120.5° |
| N2 | C16 | H16 | 116.5° | 119.0° |
| C12 | C3 | C13 | 120.0° | 118.5° |
| C3 | C12 | C24 | 118.2° | 119.3° |
| C12 | C3 | H3 | 120.0° | 120.8° |
| C3 | C12 | H12 | 120.9° | 120.3° |
| C3 | C13 | C25 | 118.7° | 119.1° |
| C13 | C3 | H3 | 120.0° | 120.7° |
| C3 | C13 | H13 | 120.6° | 120.5° |
| C24 | N3 | C25 | 118.9° | 121.7° |
| N3 | C24 | C12 | 122.5° | 120.8° |
| N3 | C24 | C26 | 117.7° | 119.6° |
| N3 | C25 | N5 | 118.6° | 119.7° |
| N3 | C25 | C13 | 121.6° | 120.6° |
| C4 | C18 | C21 | 119.0° | 119.7° |
| C4 | C18 | C23 | 120.1° | 120.1° |
| C18 | C4 | H4 | 120.0° | 120.1° |
| C22 | N4 | C23 | 110.0° | 108.5° |
| C22 | N4 | C26 | 125.9° | 125.8° |
| N4 | C22 | C10 | 106.5° | 108.1° |
| N4 | C22 | C17 | 126.0° | 125.9° |
| C23 | N4 | C26 | 124.0° | 125.7° |
| N4 | C23 | C11 | 107.2° | 108.1° |
| N4 | C23 | C18 | 123.8° | 126.0° |
| N4 | C26 | C24 | 108.6° | 109.5° |
| N4 | C26 | H26 | 109.8° | 109.5° |
| N4 | C26 | H26A | 109.8° | 109.4° |
| C7 | C5 | C17 | 120.9° | 119.9° |
| C5 | C7 | C19 | 119.3° | 120.1° |
| C7 | C5 | H5 | 119.6° | 120.0° |
| C5 | C7 | H7 | 120.3° | 120.0° |
| C5 | C17 | C6 | 118.6° | 119.9° |
| C5 | C17 | C22 | 122.8° | 120.1° |
| C17 | C5 | H5 | 119.5° | 120.1° |
| N5 | C25 | C13 | 119.7° | 119.7° |
| C25 | N5 | HN5 | 109.5° | 120.0° |
| C25 | N5 | HN5A | 109.5° | 120.0° |
| C8 | C6 | C17 | 120.8° | 119.9° |
| C6 | C8 | C19 | 120.2° | 120.1° |
| C8 | C6 | H6 | 119.6° | 120.0° |
| C6 | C8 | H8 | 119.9° | 119.9° |
| C6 | C17 | C22 | 118.6° | 120.0° |
| C17 | C6 | H6 | 119.6° | 120.1° |
| C7 | C19 | C8 | 120.2° | 120.2° |
| C19 | C7 | H7 | 120.4° | 119.9° |
| C19 | C8 | H8 | 119.9° | 119.9° |
| C9 | C21 | C18 | 120.8° | 119.8° |
| C21 | C9 | H9 | 120.2° | 119.9° |
| C11 | C10 | C22 | 108.4° | 107.6° |
| C10 | C11 | C23 | 107.8° | 107.6° |
| C11 | C10 | H10 | 125.8° | 126.2° |
| C10 | C11 | H11 | 126.1° | 126.2° |
| C10 | C22 | C17 | 127.4° | 125.9° |
| C22 | C10 | H10 | 125.8° | 126.2° |
| C11 | C23 | C18 | 129.0° | 125.9° |
| C23 | C11 | H11 | 126.1° | 126.2° |
| C12 | C24 | C26 | 119.8° | 119.6° |
| C24 | C12 | H12 | 120.9° | 120.3° |
| C25 | C13 | H13 | 120.6° | 120.5° |
| C14 | C20 | C15 | 115.9° | 118.3° |
| C20 | C14 | H14 | 118.2° | 120.4° |
| C20 | C15 | H15 | 118.2° | 120.5° |
| C21 | C18 | C23 | 120.9° | 120.2° |
| C24 | C26 | H26 | 109.7° | 109.5° |
| C24 | C26 | H26A | 109.7° | 109.4° |
| HN5 | N5 | HN5A | 109.5° | 120.0° |
| H26 | C26 | H26A | 109.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | H1 | 180.0° | 179.8° |
| C1 | C2 | C9 | H2 | 180.0° | 180.0° |
| C2 | C1 | C4 | C18 | 0.1° | 0.1° |
| C1 | C2 | C9 | C21 | 0.1° | 0.1° |
| C2 | C1 | C4 | H4 | 179.9° | 180.0° |
| C1 | C2 | C9 | H9 | 179.9° | 180.0° |
| C4 | C1 | C2 | C9 | 0.1° | 0.1° |
| C1 | C4 | C18 | H4 | 180.0° | 179.9° |
| C1 | C4 | C18 | C21 | 0.1° | 0.1° |
| C1 | C4 | C18 | C23 | 180.0° | 180.0° |
| C4 | C1 | C2 | H2 | 179.9° | 180.0° |
| N1 | C14 | C20 | O1 | 179.2° | 180.0° |
| C14 | N1 | C16 | N2 | 0.3° | 0.0° |
| N1 | C14 | C20 | H14 | 180.0° | 179.9° |
| N1 | C14 | C20 | C15 | 0.2° | 0.0° |
| C14 | N1 | C16 | H16 | 179.7° | 180.0° |
| N1 | C16 | N2 | C15 | 0.3° | 0.0° |
| N1 | C16 | N2 | H16 | 180.0° | 180.0° |
| C16 | N1 | C14 | C20 | 0.2° | 0.0° |
| C16 | N1 | C14 | H14 | 179.8° | 180.0° |
| O1 | C19 | C7 | C5 | 179.9° | 180.0° |
| O1 | C19 | C8 | C6 | 179.9° | 180.0° |
| O1 | C19 | C7 | C8 | 180.0° | 179.9° |
| C19 | O1 | C20 | C14 | 104.1° | 5.4° |
| C19 | O1 | C20 | C15 | 76.6° | 174.6° |
| O1 | C19 | C7 | H7 | 0.1° | 0.0° |
| O1 | C19 | C8 | H8 | 0.1° | 0.1° |
| O1 | C20 | C15 | N2 | 179.2° | 180.0° |
| C20 | O1 | C19 | C7 | 15.1° | 108.1° |
| C20 | O1 | C19 | C8 | 165.0° | 71.9° |
| O1 | C20 | C14 | C15 | 179.4° | 179.9° |
| O1 | C20 | C14 | H14 | 0.8° | 0.1° |
| O1 | C20 | C15 | H15 | 0.8° | 0.0° |
| CL1 | C21 | C9 | C2 | 180.0° | 179.9° |
| CL1 | C21 | C18 | C4 | 180.0° | 179.9° |
| CL1 | C21 | C9 | C18 | 179.9° | 179.9° |
| CL1 | C21 | C18 | C23 | 0.2° | 0.0° |
| CL1 | C21 | C9 | H9 | 0.0° | 0.1° |
| C2 | C9 | C21 | H9 | 180.0° | 179.9° |
| C2 | C9 | C21 | C18 | 0.1° | 0.1° |
| C9 | C2 | C1 | H1 | 179.9° | 179.7° |
| N2 | C15 | C20 | C14 | 0.2° | 0.0° |
| N2 | C15 | C20 | H15 | 180.0° | 180.0° |
| C15 | N2 | C16 | H16 | 179.7° | 180.0° |
| C16 | N2 | C15 | C20 | 0.3° | 0.0° |
| C16 | N2 | C15 | H15 | 179.7° | 180.0° |
| C12 | C3 | C13 | H3 | 180.0° | 179.8° |
| C3 | C12 | C24 | N3 | 0.2° | 0.0° |
| C3 | C12 | C24 | H12 | 180.0° | 179.9° |
| C12 | C3 | C13 | C25 | 0.2° | 0.0° |
| C3 | C12 | C24 | C26 | 180.0° | 180.0° |
| C12 | C3 | C13 | H13 | 179.7° | 180.0° |
| C3 | C13 | C25 | N3 | 0.2° | 0.0° |
| C3 | C13 | C25 | N5 | 180.0° | 179.9° |
| C13 | C3 | C12 | C24 | 0.2° | 0.0° |
| C3 | C13 | C25 | H13 | 180.0° | 180.0° |
| C13 | C3 | C12 | H12 | 179.8° | 179.9° |
| N3 | C24 | C26 | N4 | 161.8° | 55.0° |
| C24 | N3 | C25 | N5 | 180.0° | 180.0° |
| N3 | C24 | C12 | C26 | 179.8° | 179.9° |
| C24 | N3 | C25 | C13 | 0.3° | 0.0° |
| N3 | C24 | C12 | H12 | 179.8° | 180.0° |
| N3 | C24 | C26 | H26 | 78.2° | 175.0° |
| N3 | C24 | C26 | H26A | 41.8° | 65.0° |
| N3 | C25 | N5 | C13 | 179.8° | 180.0° |
| C25 | N3 | C24 | C12 | 0.3° | 0.1° |
| C25 | N3 | C24 | C26 | 179.9° | 180.0° |
| N3 | C25 | N5 | HN5 | 0.0° | 0.0° |
| N3 | C25 | N5 | HN5A | 120.0° | 179.9° |
| N3 | C25 | C13 | H13 | 179.7° | 180.0° |
| C4 | C18 | C23 | N4 | 118.8° | 58.2° |
| C4 | C18 | C21 | C9 | 0.2° | 0.1° |
| C4 | C18 | C23 | C11 | 61.4° | 121.9° |
| C4 | C18 | C21 | C23 | 179.8° | 179.9° |
| C18 | C4 | C1 | H1 | 179.9° | 179.7° |
| C22 | N4 | C23 | C26 | 179.4° | 179.7° |
| N4 | C22 | C17 | C5 | 43.4° | 144.2° |
| N4 | C22 | C17 | C6 | 136.0° | 35.8° |
| N4 | C22 | C10 | C11 | 0.0° | 0.1° |
| N4 | C22 | C10 | C17 | 179.8° | 179.9° |
| C22 | N4 | C23 | C11 | 0.1° | 0.0° |
| C22 | N4 | C23 | C18 | 179.9° | 179.9° |
| C22 | N4 | C26 | C24 | 80.1° | 83.9° |
| N4 | C22 | C10 | H10 | 179.9° | 180.0° |
| C22 | N4 | C26 | H26 | 159.9° | 156.0° |
| C22 | N4 | C26 | H26A | 39.9° | 36.0° |
| N4 | C23 | C11 | C10 | 0.1° | 0.0° |
| C23 | N4 | C22 | C10 | 0.1° | 0.0° |
| N4 | C23 | C11 | C18 | 179.8° | 179.9° |
| C23 | N4 | C22 | C17 | 179.9° | 179.9° |
| N4 | C23 | C18 | C21 | 61.0° | 121.7° |
| C23 | N4 | C26 | C24 | 99.2° | 96.4° |
| N4 | C23 | C11 | H11 | 179.9° | 180.0° |
| C23 | N4 | C26 | H26 | 20.8° | 23.7° |
| C23 | N4 | C26 | H26A | 140.8° | 143.7° |
| C26 | N4 | C22 | C10 | 179.5° | 179.8° |
| C26 | N4 | C23 | C11 | 179.5° | 179.7° |
| N4 | C26 | C24 | C12 | 18.4° | 125.0° |
| C26 | N4 | C22 | C17 | 0.7° | 0.3° |
| C26 | N4 | C23 | C18 | 0.7° | 0.2° |
| N4 | C26 | C24 | H26 | 120.0° | 120.1° |
| N4 | C26 | C24 | H26A | 120.0° | 119.9° |
| N4 | C26 | H26 | H26A | 120.4° | 120.0° |
| C7 | C5 | C17 | H5 | 180.0° | 179.8° |
| C7 | C5 | C17 | C6 | 0.2° | 0.0° |
| C5 | C7 | C19 | H7 | 180.0° | 180.0° |
| C5 | C7 | C19 | C8 | 0.1° | 0.0° |
| C7 | C5 | C17 | C22 | 179.6° | 180.0° |
| C5 | C17 | C6 | C8 | 0.2° | 0.0° |
| C5 | C17 | C6 | C22 | 179.4° | 180.0° |
| C17 | C5 | C7 | C19 | 0.1° | 0.0° |
| C5 | C17 | C22 | C10 | 136.8° | 35.7° |
| C5 | C17 | C6 | H6 | 179.8° | 180.0° |
| C17 | C5 | C7 | H7 | 179.8° | 180.0° |
| C25 | N5 | HN5 | HN5A | 120.0° | 179.9° |
| N5 | C25 | C13 | H13 | 0.0° | 0.0° |
| C8 | C6 | C17 | H6 | 180.0° | 180.0° |
| C6 | C8 | C19 | C7 | 0.1° | 0.0° |
| C6 | C8 | C19 | H8 | 180.0° | 179.9° |
| C8 | C6 | C17 | C22 | 179.6° | 180.0° |
| C17 | C6 | C8 | C19 | 0.1° | 0.0° |
| C6 | C17 | C22 | C10 | 43.8° | 144.3° |
| C6 | C17 | C5 | H5 | 179.8° | 179.8° |
| C17 | C6 | C8 | H8 | 179.9° | 179.9° |
| C19 | C7 | C5 | H5 | 179.9° | 179.8° |
| C7 | C19 | C8 | H8 | 179.9° | 180.0° |
| C19 | C8 | C6 | H6 | 179.8° | 180.0° |
| C8 | C19 | C7 | H7 | 179.9° | 180.0° |
| C9 | C21 | C18 | C23 | 180.0° | 179.9° |
| C21 | C9 | C2 | H2 | 179.9° | 180.0° |
| C11 | C10 | C22 | H10 | 180.0° | 180.0° |
| C10 | C11 | C23 | H11 | 180.0° | 179.9° |
| C11 | C10 | C22 | C17 | 179.8° | 180.0° |
| C10 | C11 | C23 | C18 | 179.9° | 180.0° |
| C22 | C10 | C11 | C23 | 0.0° | 0.1° |
| C22 | C10 | C11 | H11 | 180.0° | 180.0° |
| C11 | C23 | C18 | C21 | 118.8° | 58.2° |
| C23 | C11 | C10 | H10 | 180.0° | 180.0° |
| C24 | C12 | C3 | H3 | 179.8° | 179.8° |
| C12 | C24 | C26 | H26 | 101.6° | 4.9° |
| C12 | C24 | C26 | H26A | 138.4° | 115.1° |
| C25 | C13 | C3 | H3 | 179.8° | 179.7° |
| C13 | C25 | N5 | HN5 | 179.8° | 179.9° |
| C13 | C25 | N5 | HN5A | 60.2° | 0.0° |
| C14 | C20 | C15 | H15 | 179.8° | 180.0° |
| C15 | C20 | C14 | H14 | 179.8° | 180.0° |
| C22 | C17 | C5 | H5 | 0.4° | 0.2° |
| C22 | C17 | C6 | H6 | 0.4° | 0.0° |
| C17 | C22 | C10 | H10 | 0.1° | 0.1° |
| C21 | C18 | C4 | H4 | 179.9° | 180.0° |
| C18 | C21 | C9 | H9 | 179.9° | 180.0° |
| C23 | C18 | C4 | H4 | 0.1° | 0.1° |
| C18 | C23 | C11 | H11 | 0.1° | 0.1° |
| C26 | C24 | C12 | H12 | 0.0° | 0.1° |
| C24 | C26 | H26 | H26A | 120.3° | 120.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.2° |
| H1 | C1 | C4 | H4 | 0.1° | 0.2° |
| H2 | C2 | C9 | H9 | 0.1° | 0.1° |
| H3 | C3 | C12 | H12 | 0.2° | 0.3° |
| H3 | C3 | C13 | H13 | 0.3° | 0.2° |
| H5 | C5 | C7 | H7 | 0.1° | 0.2° |
| H6 | C6 | C8 | H8 | 0.1° | 0.1° |
| H10 | C10 | C11 | H11 | 0.0° | 0.0° |
