DLM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C18 | sing | 1.36Å | 1.36Å | |
| O24 | C17 | sing | 1.36Å | 1.36Å | |
| C18 | C17 | doub | 1.39Å | 1.48Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.48Å | Aromatic |
| C19 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | O21 | sing | 1.36Å | 1.36Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C11 | sing | 1.48Å | 1.49Å | |
| O12 | C11 | doub | 1.21Å | 1.37Å | Aromatic |
| O12 | C4 | sing | 1.22Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.50Å | Aromatic |
| O29 | C6 | sing | 1.36Å | 1.36Å | |
| C4 | C3 | sing | 1.42Å | 1.48Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | O27 | sing | 1.36Å | 1.36Å | |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.41Å | 1.49Å | Aromatic |
| C1 | C2 | sing | 1.37Å | 1.39Å | Aromatic |
| C2 | O30 | sing | 1.36Å | 1.36Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| O21 | H3 | sing | 0.97Å | 0.95Å | |
| O22 | H4 | sing | 0.97Å | 0.95Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| O24 | H6 | sing | 0.97Å | 0.95Å | |
| O27 | H7 | sing | 0.97Å | 0.95Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| O29 | H10 | sing | 0.97Å | 0.95Å | |
| O30 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C18 | C17 | 120.5° | 119.9° |
| O22 | C18 | C19 | 120.5° | 120.0° |
| C18 | O22 | H4 | 109.5° | 114.0° |
| O24 | C17 | C18 | 120.9° | 120.0° |
| O24 | C17 | C16 | 121.6° | 120.0° |
| C17 | O24 | H6 | 109.5° | 114.0° |
| C17 | C18 | C19 | 119.0° | 120.0° |
| C18 | C17 | C16 | 117.5° | 120.1° |
| C18 | C19 | C14 | 122.1° | 120.0° |
| C18 | C19 | H5 | 119.0° | 120.0° |
| C17 | C16 | O21 | 120.3° | 119.9° |
| C17 | C16 | C15 | 119.0° | 120.1° |
| C19 | C14 | C15 | 120.7° | 119.9° |
| C19 | C14 | C11 | 116.6° | 120.1° |
| C14 | C19 | H5 | 118.9° | 120.0° |
| O21 | C16 | C15 | 120.7° | 120.0° |
| C16 | O21 | H3 | 109.5° | 114.0° |
| C16 | C15 | C14 | 121.7° | 119.9° |
| C16 | C15 | H1 | 119.1° | 120.0° |
| C15 | C14 | C11 | 122.7° | 120.0° |
| C14 | C15 | H1 | 119.1° | 120.0° |
| C14 | C11 | O12 | 116.3° | 118.7° |
| C14 | C11 | C10 | 124.1° | 118.6° |
| C11 | O12 | C4 | 120.8° | 125.0° |
| O12 | C11 | C10 | 119.6° | 122.7° |
| O12 | C4 | C5 | 121.0° | 120.6° |
| O12 | C4 | C3 | 120.3° | 120.6° |
| C4 | C5 | C6 | 121.3° | 119.9° |
| C5 | C4 | C3 | 118.7° | 118.8° |
| C4 | C5 | H9 | 119.3° | 120.0° |
| C5 | C6 | O29 | 119.0° | 119.5° |
| C5 | C6 | C1 | 121.9° | 121.0° |
| C6 | C5 | H9 | 119.4° | 120.1° |
| C11 | C10 | O27 | 122.3° | 121.1° |
| C11 | C10 | C9 | 119.7° | 117.9° |
| O29 | C6 | C1 | 119.1° | 119.5° |
| C6 | O29 | H10 | 109.5° | 114.0° |
| C4 | C3 | C9 | 119.9° | 118.2° |
| C4 | C3 | C2 | 118.2° | 120.2° |
| C6 | C1 | C2 | 121.2° | 120.6° |
| C6 | C1 | H2 | 119.4° | 119.7° |
| O27 | C10 | C9 | 118.1° | 121.1° |
| C10 | O27 | H7 | 109.5° | 114.0° |
| C10 | C9 | C3 | 119.7° | 115.5° |
| C10 | C9 | H8 | 120.2° | 122.2° |
| C9 | C3 | C2 | 121.9° | 121.5° |
| C3 | C9 | H8 | 120.2° | 122.2° |
| C3 | C2 | C1 | 118.7° | 119.6° |
| C3 | C2 | O30 | 120.8° | 120.2° |
| C1 | C2 | O30 | 120.5° | 120.1° |
| C2 | C1 | H2 | 119.4° | 119.7° |
| C2 | O30 | H11 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C18 | C17 | O24 | 0.2° | 0.0° |
| O22 | C18 | C17 | C19 | 179.7° | 179.3° |
| O22 | C18 | C17 | C16 | 180.0° | 180.0° |
| O22 | C18 | C19 | C14 | 180.0° | 179.7° |
| O22 | C18 | C19 | H5 | 0.0° | 0.2° |
| O24 | C17 | C18 | C16 | 179.8° | 180.0° |
| O24 | C17 | C18 | C19 | 180.0° | 179.3° |
| O24 | C17 | C16 | O21 | 0.1° | 0.0° |
| O24 | C17 | C16 | C15 | 179.9° | 179.5° |
| C17 | C18 | C19 | C14 | 0.2° | 0.4° |
| C18 | C17 | C16 | O21 | 179.9° | 180.0° |
| C18 | C17 | C16 | C15 | 0.3° | 0.5° |
| C17 | C18 | O22 | H4 | 180.0° | 90.0° |
| C17 | C18 | C19 | H5 | 179.8° | 179.5° |
| C18 | C17 | O24 | H6 | 180.0° | 90.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.7° |
| C18 | C19 | C14 | H5 | 180.0° | 180.0° |
| C18 | C19 | C14 | C15 | 0.3° | 0.1° |
| C18 | C19 | C14 | C11 | 180.0° | 179.7° |
| C19 | C18 | O22 | H4 | 0.3° | 90.7° |
| C17 | C16 | O21 | C15 | 179.9° | 179.4° |
| C17 | C16 | C15 | C14 | 0.3° | 0.0° |
| C17 | C16 | C15 | H1 | 179.7° | 180.0° |
| C17 | C16 | O21 | H3 | 180.0° | 90.0° |
| C16 | C17 | O24 | H6 | 0.2° | 90.0° |
| C19 | C14 | C15 | C16 | 0.3° | 0.3° |
| C19 | C14 | C15 | C11 | 179.7° | 179.7° |
| C19 | C14 | C11 | O12 | 9.2° | 89.4° |
| C19 | C14 | C11 | C10 | 170.9° | 90.5° |
| C19 | C14 | C15 | H1 | 179.7° | 179.7° |
| O21 | C16 | C15 | C14 | 179.8° | 179.5° |
| O21 | C16 | C15 | H1 | 0.2° | 0.5° |
| C16 | C15 | C14 | H1 | 180.0° | 180.0° |
| C16 | C15 | C14 | C11 | 180.0° | 179.9° |
| C15 | C16 | O21 | H3 | 0.1° | 89.4° |
| C15 | C14 | C11 | O12 | 170.5° | 90.3° |
| C15 | C14 | C11 | C10 | 9.5° | 89.8° |
| C15 | C14 | C19 | H5 | 179.8° | 180.0° |
| C14 | C11 | O12 | C10 | 179.9° | 179.9° |
| C14 | C11 | O12 | C4 | 179.8° | 180.0° |
| C14 | C11 | C10 | O27 | 0.3° | 0.1° |
| C14 | C11 | C10 | C9 | 179.9° | 180.0° |
| C11 | C14 | C15 | H1 | 0.0° | 0.0° |
| C11 | C14 | C19 | H5 | 0.1° | 0.3° |
| C11 | O12 | C4 | C5 | 179.8° | 180.0° |
| C11 | O12 | C4 | C3 | 0.2° | 0.1° |
| O12 | C11 | C10 | O27 | 179.8° | 180.0° |
| O12 | C11 | C10 | C9 | 0.0° | 0.1° |
| O12 | C4 | C5 | C3 | 180.0° | 179.9° |
| O12 | C4 | C5 | C6 | 179.8° | 180.0° |
| C4 | O12 | C11 | C10 | 0.1° | 0.1° |
| O12 | C4 | C3 | C9 | 0.1° | 0.0° |
| O12 | C4 | C3 | C2 | 179.9° | 180.0° |
| O12 | C4 | C5 | H9 | 0.2° | 0.1° |
| C4 | C5 | C6 | H9 | 180.0° | 180.0° |
| C4 | C5 | C6 | O29 | 179.9° | 180.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.1° |
| C5 | C4 | C3 | C9 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C5 | C6 | O29 | C1 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.1° |
| C5 | C6 | C1 | C2 | 0.0° | 0.0° |
| C5 | C6 | C1 | H2 | 180.0° | 180.0° |
| C5 | C6 | O29 | H10 | 180.0° | 90.1° |
| C11 | C10 | O27 | C9 | 179.8° | 180.0° |
| C11 | C10 | C9 | C3 | 0.1° | 0.0° |
| C11 | C10 | O27 | H7 | 180.0° | 90.0° |
| C11 | C10 | C9 | H8 | 179.9° | 180.0° |
| O29 | C6 | C1 | C2 | 179.9° | 180.0° |
| O29 | C6 | C1 | H2 | 0.1° | 0.0° |
| O29 | C6 | C5 | H9 | 0.1° | 0.0° |
| C4 | C3 | C9 | C10 | 0.0° | 0.0° |
| C4 | C3 | C9 | C2 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C4 | C3 | C2 | O30 | 180.0° | 179.9° |
| C4 | C3 | C9 | H8 | 180.0° | 180.0° |
| C3 | C4 | C5 | H9 | 179.7° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C6 | C1 | C2 | O30 | 179.9° | 180.0° |
| C1 | C6 | C5 | H9 | 179.8° | 180.0° |
| C1 | C6 | O29 | H10 | 0.1° | 89.9° |
| O27 | C10 | C9 | C3 | 179.9° | 180.0° |
| O27 | C10 | C9 | H8 | 0.2° | 0.0° |
| C10 | C9 | C3 | H8 | 180.0° | 180.0° |
| C10 | C9 | C3 | C2 | 180.0° | 180.0° |
| C9 | C10 | O27 | H7 | 0.2° | 90.0° |
| C9 | C3 | C2 | C1 | 180.0° | 180.0° |
| C9 | C3 | C2 | O30 | 0.0° | 0.0° |
| C3 | C2 | C1 | O30 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 179.9° | 180.0° |
| C2 | C3 | C9 | H8 | 0.0° | 0.0° |
| C3 | C2 | O30 | H11 | 180.0° | 89.9° |
| C1 | C2 | O30 | H11 | 0.0° | 90.0° |
| O30 | C2 | C1 | H2 | 0.1° | 0.0° |
