697
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C1 | O11 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.40Å | 1.44Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.39Å | 1.44Å | Aromatic |
| C4 | C12 | sing | 1.48Å | 1.50Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C12 | C13 | doub | 1.35Å | 1.41Å | Aromatic |
| C12 | O16 | sing | 1.35Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.40Å | 1.45Å | Aromatic |
| C14 | C17 | sing | 1.40Å | 1.43Å | Aromatic |
| C15 | O16 | sing | 1.35Å | 1.35Å | Aromatic |
| C15 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.44Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| C18 | O23 | sing | 1.36Å | 1.37Å | |
| C19 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C7 | sing | 1.43Å | 1.43Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| C7 | N27 | trip | 1.14Å | 1.16Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.4° | 120.2° |
| C2 | C1 | O11 | 119.7° | 119.9° |
| C1 | C2 | C3 | 119.4° | 120.1° |
| C1 | C2 | H2 | 120.5° | 120.0° |
| C6 | C1 | O11 | 118.8° | 119.9° |
| C1 | C6 | C5 | 119.2° | 120.1° |
| C1 | C6 | H6 | 120.5° | 119.9° |
| C1 | O11 | H11 | 119.8° | 106.8° |
| C3 | C2 | H2 | 120.1° | 120.0° |
| C2 | C3 | C4 | 119.3° | 119.9° |
| C2 | C3 | H3 | 120.0° | 120.0° |
| C4 | C3 | H3 | 120.7° | 120.0° |
| C3 | C4 | C5 | 120.5° | 119.8° |
| C3 | C4 | C12 | 121.9° | 120.1° |
| C5 | C4 | C12 | 117.6° | 120.1° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C4 | C5 | H5 | 120.4° | 120.0° |
| C4 | C12 | C13 | 126.5° | 125.1° |
| C4 | C12 | O16 | 119.0° | 125.1° |
| C6 | C5 | H5 | 119.5° | 120.0° |
| C5 | C6 | H6 | 120.3° | 120.0° |
| C13 | C12 | O16 | 114.5° | 109.8° |
| C12 | C13 | C14 | 102.1° | 106.1° |
| C12 | C13 | H13 | 128.8° | 127.1° |
| C12 | O16 | C15 | 106.8° | 110.9° |
| C14 | C13 | H13 | 129.1° | 126.9° |
| C13 | C14 | C15 | 107.9° | 105.6° |
| C13 | C14 | C17 | 134.1° | 134.1° |
| C15 | C14 | C17 | 118.0° | 120.3° |
| C14 | C15 | O16 | 108.6° | 107.6° |
| C14 | C15 | C20 | 121.5° | 119.3° |
| C14 | C17 | C18 | 119.8° | 119.9° |
| C14 | C17 | H17 | 119.9° | 120.1° |
| O16 | C15 | C20 | 129.8° | 133.2° |
| C15 | C20 | C19 | 120.8° | 119.7° |
| C15 | C20 | C7 | 119.1° | 120.2° |
| C18 | C17 | H17 | 120.2° | 120.1° |
| C17 | C18 | C19 | 120.9° | 120.4° |
| C17 | C18 | O23 | 119.9° | 119.8° |
| C19 | C18 | O23 | 119.3° | 119.8° |
| C18 | C19 | C20 | 119.0° | 120.4° |
| C18 | C19 | H19 | 120.8° | 119.8° |
| C18 | O23 | H23 | 119.9° | 106.8° |
| C20 | C19 | H19 | 120.2° | 119.8° |
| C19 | C20 | C7 | 120.1° | 120.1° |
| C20 | C7 | N27 | 177.9° | 179.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O11 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.5° |
| C1 | C2 | C3 | C4 | 0.1° | 0.5° |
| C1 | C2 | C3 | H3 | 179.9° | 179.7° |
| C2 | C1 | C6 | C5 | 0.1° | 0.3° |
| C2 | C1 | C6 | H6 | 179.9° | 179.7° |
| C2 | C1 | O11 | H11 | 180.0° | 90.3° |
| C6 | C1 | C2 | C3 | 0.1° | 0.6° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C1 | O11 | H11 | 0.0° | 90.0° |
| O11 | C1 | C2 | C3 | 179.9° | 179.8° |
| O11 | C1 | C2 | H2 | 0.1° | 0.3° |
| O11 | C1 | C6 | C5 | 179.9° | 180.0° |
| O11 | C1 | C6 | H6 | 0.1° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.1° | 0.2° |
| C2 | C3 | C4 | C12 | 179.1° | 179.8° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.2° |
| C3 | C4 | C5 | C12 | 179.1° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C3 | C4 | C12 | C13 | 31.3° | 0.2° |
| C3 | C4 | C12 | O16 | 148.3° | 180.0° |
| H3 | C3 | C4 | C5 | 180.0° | 180.0° |
| H3 | C3 | C4 | C12 | 0.9° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | C12 | C13 | 149.6° | 179.8° |
| C5 | C4 | C12 | O16 | 30.8° | 0.0° |
| C12 | C4 | C5 | C6 | 179.1° | 180.0° |
| C12 | C4 | C5 | H5 | 0.8° | 0.0° |
| C4 | C12 | C13 | O16 | 179.6° | 179.8° |
| C4 | C12 | C13 | C14 | 179.5° | 179.9° |
| C4 | C12 | C13 | H13 | 0.5° | 0.2° |
| C4 | C12 | O16 | C15 | 179.4° | 180.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.1° | 0.3° |
| C12 | C13 | C14 | C17 | 179.8° | 179.9° |
| C13 | C12 | O16 | C15 | 0.2° | 0.2° |
| O16 | C12 | C13 | C14 | 0.2° | 0.3° |
| O16 | C12 | C13 | H13 | 179.8° | 180.0° |
| C12 | O16 | C15 | C14 | 0.2° | 0.0° |
| C12 | O16 | C15 | C20 | 179.7° | 180.0° |
| C13 | C14 | C15 | C17 | 179.9° | 179.8° |
| C13 | C14 | C15 | O16 | 0.1° | 0.2° |
| C13 | C14 | C15 | C20 | 179.8° | 179.8° |
| C13 | C14 | C17 | C18 | 179.8° | 179.7° |
| C13 | C14 | C17 | H17 | 0.1° | 0.3° |
| H13 | C13 | C14 | C15 | 179.9° | 180.0° |
| H13 | C13 | C14 | C17 | 0.2° | 0.3° |
| C14 | C15 | O16 | C20 | 179.9° | 179.9° |
| C15 | C14 | C17 | C18 | 0.1° | 0.0° |
| C15 | C14 | C17 | H17 | 180.0° | 180.0° |
| C14 | C15 | C20 | C19 | 0.0° | 0.1° |
| C14 | C15 | C20 | C7 | 179.8° | 179.9° |
| C17 | C14 | C15 | O16 | 180.0° | 180.0° |
| C17 | C14 | C15 | C20 | 0.1° | 0.0° |
| C14 | C17 | C18 | H17 | 180.0° | 180.0° |
| C14 | C17 | C18 | C19 | 0.0° | 0.0° |
| C14 | C17 | C18 | O23 | 179.9° | 180.0° |
| O16 | C15 | C20 | C19 | 179.9° | 180.0° |
| O16 | C15 | C20 | C7 | 0.1° | 0.2° |
| C15 | C20 | C19 | C18 | 0.0° | 0.1° |
| C15 | C20 | C19 | C7 | 179.8° | 179.8° |
| C15 | C20 | C19 | H19 | 180.0° | 180.0° |
| C15 | C20 | C7 | N27 | 18.1° | 93.7° |
| C17 | C18 | C19 | O23 | 179.9° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C17 | C18 | O23 | H23 | 180.0° | 90.0° |
| H17 | C17 | C18 | C19 | 180.0° | 180.0° |
| H17 | C17 | C18 | O23 | 0.1° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C7 | 179.8° | 179.9° |
| C19 | C18 | O23 | H23 | 0.1° | 90.0° |
| O23 | C18 | C19 | C20 | 179.9° | 179.9° |
| O23 | C18 | C19 | H19 | 0.1° | 0.0° |
| C19 | C20 | C7 | N27 | 161.7° | 86.5° |
| H19 | C19 | C20 | C7 | 0.2° | 0.2° |
