338
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.44Å | Aromatic |
| C1 | O30 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | O10 | sing | 1.35Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.43Å | Aromatic |
| C4 | N12 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.37Å | 1.44Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O10 | C11 | sing | 1.35Å | 1.37Å | Aromatic |
| C11 | N12 | doub | 1.31Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.47Å | 1.42Å | Aromatic |
| C13 | C15 | doub | 1.42Å | 1.50Å | Aromatic |
| C13 | C19 | sing | 1.39Å | 1.45Å | Aromatic |
| C15 | C16 | sing | 1.42Å | 1.50Å | Aromatic |
| C15 | C23 | sing | 1.40Å | 1.45Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.43Å | Aromatic |
| C16 | C26 | sing | 1.41Å | 1.44Å | Aromatic |
| C17 | C18 | sing | 1.36Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.36Å | 1.43Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.39Å | 1.43Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.43Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | O31 | sing | 1.36Å | 1.38Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.2° | 120.4° |
| C2 | C1 | O30 | 119.9° | 119.8° |
| C1 | C2 | C3 | 117.8° | 119.7° |
| C1 | C2 | H2 | 121.6° | 120.2° |
| C6 | C1 | O30 | 119.0° | 119.8° |
| C1 | C6 | C5 | 120.1° | 120.5° |
| C1 | C6 | H6 | 120.0° | 119.8° |
| C1 | O30 | H30 | 119.9° | 106.8° |
| C3 | C2 | H2 | 120.7° | 120.1° |
| C2 | C3 | C4 | 121.4° | 119.8° |
| C2 | C3 | O10 | 128.2° | 133.8° |
| C4 | C3 | O10 | 110.4° | 106.4° |
| C3 | C4 | C5 | 121.9° | 119.7° |
| C3 | C4 | N12 | 107.9° | 106.7° |
| C3 | O10 | C11 | 105.3° | 108.1° |
| C5 | C4 | N12 | 130.2° | 133.6° |
| C4 | C5 | C6 | 117.7° | 119.9° |
| C4 | C5 | H5 | 121.0° | 120.0° |
| C4 | N12 | C11 | 104.2° | 108.8° |
| C6 | C5 | H5 | 121.4° | 120.0° |
| C5 | C6 | H6 | 119.9° | 119.7° |
| O10 | C11 | N12 | 112.2° | 110.0° |
| O10 | C11 | C13 | 123.8° | 125.0° |
| N12 | C11 | C13 | 124.0° | 125.0° |
| C11 | C13 | C15 | 126.9° | 120.4° |
| C11 | C13 | C19 | 115.8° | 120.4° |
| C15 | C13 | C19 | 117.4° | 119.2° |
| C13 | C15 | C16 | 118.6° | 119.2° |
| C13 | C15 | C23 | 125.0° | 121.2° |
| C13 | C19 | C18 | 123.0° | 120.6° |
| C13 | C19 | H19 | 119.4° | 119.6° |
| C16 | C15 | C23 | 116.4° | 119.6° |
| C15 | C16 | C17 | 119.8° | 119.6° |
| C15 | C16 | C26 | 120.7° | 119.3° |
| C15 | C23 | C24 | 122.2° | 120.0° |
| C15 | C23 | H23 | 119.5° | 120.0° |
| C17 | C16 | C26 | 119.4° | 121.2° |
| C16 | C17 | C18 | 121.1° | 120.2° |
| C16 | C17 | H17 | 119.9° | 119.9° |
| C16 | C26 | C25 | 119.9° | 119.5° |
| C16 | C26 | O31 | 121.5° | 120.3° |
| C18 | C17 | H17 | 119.0° | 120.0° |
| C17 | C18 | C19 | 120.1° | 121.2° |
| C17 | C18 | H18 | 120.0° | 119.4° |
| C19 | C18 | H18 | 119.9° | 119.4° |
| C18 | C19 | H19 | 117.6° | 119.7° |
| C24 | C23 | H23 | 118.3° | 120.0° |
| C23 | C24 | C25 | 120.1° | 121.0° |
| C23 | C24 | H24 | 119.9° | 119.5° |
| C25 | C24 | H24 | 120.0° | 119.5° |
| C24 | C25 | C26 | 120.7° | 120.7° |
| C24 | C25 | H25 | 119.7° | 119.6° |
| C26 | C25 | H25 | 119.6° | 119.7° |
| C25 | C26 | O31 | 118.6° | 120.3° |
| C26 | O31 | H31 | 121.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O30 | 179.7° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.5° | 0.5° |
| C1 | C2 | C3 | O10 | 179.9° | 179.8° |
| C2 | C1 | C6 | C5 | 0.2° | 0.2° |
| C2 | C1 | C6 | H6 | 179.8° | 179.8° |
| C2 | C1 | O30 | H30 | 180.0° | 90.2° |
| C6 | C1 | C2 | C3 | 0.3° | 0.5° |
| C6 | C1 | C2 | H2 | 179.7° | 179.6° |
| C1 | C6 | C5 | C4 | 0.3° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.6° | 180.0° |
| C6 | C1 | O30 | H30 | 0.3° | 89.9° |
| O30 | C1 | C2 | C3 | 180.0° | 179.7° |
| O30 | C1 | C2 | H2 | 0.0° | 0.2° |
| O30 | C1 | C6 | C5 | 179.9° | 179.9° |
| O30 | C1 | C6 | H6 | 0.1° | 0.1° |
| C2 | C3 | C4 | O10 | 179.5° | 179.8° |
| C2 | C3 | C4 | C5 | 0.6° | 0.3° |
| C2 | C3 | C4 | N12 | 179.7° | 179.8° |
| C2 | C3 | O10 | C11 | 179.5° | 179.8° |
| H2 | C2 | C3 | C4 | 179.5° | 179.6° |
| H2 | C2 | C3 | O10 | 0.2° | 0.1° |
| C3 | C4 | C5 | N12 | 179.6° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | H5 | 179.4° | 180.0° |
| C4 | C3 | O10 | C11 | 0.1° | 0.0° |
| C3 | C4 | N12 | C11 | 0.2° | 0.0° |
| O10 | C3 | C4 | C5 | 179.9° | 180.0° |
| O10 | C3 | C4 | N12 | 0.2° | 0.0° |
| C3 | O10 | C11 | N12 | 0.1° | 0.1° |
| C3 | O10 | C11 | C13 | 179.7° | 180.0° |
| C4 | C5 | C6 | H5 | 179.9° | 179.9° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C4 | N12 | C11 | 179.9° | 179.9° |
| N12 | C4 | C5 | C6 | 179.9° | 180.0° |
| N12 | C4 | C5 | H5 | 0.2° | 0.1° |
| C4 | N12 | C11 | O10 | 0.2° | 0.1° |
| C4 | N12 | C11 | C13 | 179.6° | 180.0° |
| H5 | C5 | C6 | H6 | 0.3° | 0.0° |
| O10 | C11 | N12 | C13 | 179.8° | 180.0° |
| O10 | C11 | C13 | C15 | 167.3° | 132.9° |
| O10 | C11 | C13 | C19 | 13.1° | 47.3° |
| N12 | C11 | C13 | C15 | 13.0° | 47.0° |
| N12 | C11 | C13 | C19 | 166.7° | 132.7° |
| C11 | C13 | C15 | C19 | 179.6° | 179.8° |
| C11 | C13 | C15 | C16 | 179.8° | 179.8° |
| C11 | C13 | C15 | C23 | 0.2° | 0.6° |
| C11 | C13 | C19 | C18 | 179.8° | 180.0° |
| C11 | C13 | C19 | H19 | 0.2° | 0.0° |
| C13 | C15 | C16 | C23 | 180.0° | 179.1° |
| C13 | C15 | C16 | C17 | 0.2° | 0.5° |
| C13 | C15 | C16 | C26 | 179.8° | 179.7° |
| C15 | C13 | C19 | C18 | 0.1° | 0.2° |
| C15 | C13 | C19 | H19 | 179.9° | 179.8° |
| C13 | C15 | C23 | C24 | 179.9° | 179.8° |
| C13 | C15 | C23 | H23 | 0.1° | 0.6° |
| C19 | C13 | C15 | C16 | 0.1° | 0.5° |
| C19 | C13 | C15 | C23 | 179.9° | 179.6° |
| C13 | C19 | C18 | C17 | 0.1° | 0.0° |
| C13 | C19 | C18 | H19 | 180.0° | 180.0° |
| C13 | C19 | C18 | H18 | 179.8° | 180.0° |
| C15 | C16 | C17 | C26 | 179.7° | 179.8° |
| C15 | C16 | C17 | C18 | 0.2° | 0.3° |
| C15 | C16 | C17 | H17 | 179.9° | 179.7° |
| C16 | C15 | C23 | C24 | 0.1° | 0.6° |
| C16 | C15 | C23 | H23 | 179.8° | 179.7° |
| C15 | C16 | C26 | C25 | 0.2° | 0.3° |
| C15 | C16 | C26 | O31 | 179.9° | 179.7° |
| C23 | C15 | C16 | C17 | 179.8° | 179.6° |
| C23 | C15 | C16 | C26 | 0.2° | 0.6° |
| C15 | C23 | C24 | H23 | 180.0° | 179.6° |
| C15 | C23 | C24 | C25 | 0.1° | 0.4° |
| C15 | C23 | C24 | H24 | 180.0° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C17 | C16 | C26 | C25 | 179.8° | 180.0° |
| C17 | C16 | C26 | O31 | 0.3° | 0.1° |
| C26 | C16 | C17 | C18 | 179.8° | 180.0° |
| C26 | C16 | C17 | H17 | 0.2° | 0.1° |
| C16 | C26 | C25 | C24 | 0.1° | 0.0° |
| C16 | C26 | C25 | O31 | 179.9° | 180.0° |
| C16 | C26 | C25 | H25 | 179.8° | 180.0° |
| C16 | C26 | O31 | H31 | 180.0° | 90.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| H17 | C17 | C18 | C19 | 179.9° | 180.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.1° |
| H18 | C18 | C19 | H19 | 0.2° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.1° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| H23 | C23 | C24 | C25 | 179.9° | 180.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | O31 | 180.0° | 180.0° |
| H24 | C24 | C25 | C26 | 180.0° | 180.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.1° |
| C25 | C26 | O31 | H31 | 0.1° | 90.0° |
| H25 | C25 | C26 | O31 | 0.0° | 0.0° |
