RWF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C14 | sing | 1.47Å | 1.49Å | Aromatic |
| C1 | C15 | doub | 1.40Å | 1.43Å | Aromatic |
| C1 | C19 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C6 | sing | 1.51Å | 1.55Å | |
| C2 | C13 | sing | 1.51Å | 1.55Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | O3 | doub | 1.21Å | 1.40Å | |
| C5 | H5C1 | sing | 1.09Å | 1.10Å | |
| C5 | H5C2 | sing | 1.09Å | 1.10Å | |
| C5 | H5C3 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.06Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.06Å | |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.06Å | |
| C10 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.06Å | |
| C11 | C13 | sing | 1.40Å | 1.46Å | Aromatic |
| C11 | O1 | sing | 1.34Å | 1.40Å | Aromatic |
| C11 | O2 | doub | 1.22Å | 1.22Å | |
| C12 | H12 | sing | 1.08Å | 1.06Å | |
| C13 | C14 | doub | 1.37Å | 1.40Å | Aromatic |
| C14 | O4 | sing | 1.35Å | 1.36Å | |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.06Å | |
| C16 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.06Å | |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.06Å | |
| C18 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.06Å | |
| C19 | O1 | sing | 1.35Å | 1.39Å | Aromatic |
| O4 | H4 | sing | 0.97Å | 0.96Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C1 | C15 | 125.3° | 121.1° |
| C14 | C1 | C19 | 116.9° | 118.9° |
| C1 | C14 | C13 | 121.9° | 118.1° |
| C1 | C14 | O4 | 113.0° | 121.0° |
| C15 | C1 | C19 | 117.8° | 120.0° |
| C1 | C15 | C16 | 120.3° | 119.6° |
| C1 | C15 | H15 | 119.8° | 120.2° |
| C1 | C19 | C18 | 122.0° | 119.4° |
| C1 | C19 | O1 | 120.7° | 119.8° |
| C3 | C2 | C6 | 112.5° | 109.5° |
| C3 | C2 | C13 | 110.4° | 109.5° |
| C3 | C2 | H2 | 107.6° | 109.5° |
| C2 | C3 | C4 | 113.6° | 109.5° |
| C2 | C3 | H3C1 | 108.4° | 109.4° |
| C2 | C3 | H3C2 | 107.0° | 109.4° |
| C6 | C2 | C13 | 112.1° | 109.5° |
| C6 | C2 | H2 | 105.7° | 109.5° |
| C2 | C6 | C7 | 120.7° | 120.0° |
| C2 | C6 | C12 | 122.6° | 120.1° |
| C13 | C2 | H2 | 108.1° | 109.4° |
| C2 | C13 | C11 | 116.2° | 120.1° |
| C2 | C13 | C14 | 125.5° | 120.1° |
| C4 | C3 | H3C1 | 108.4° | 109.5° |
| C4 | C3 | H3C2 | 107.1° | 109.5° |
| C3 | C4 | C5 | 120.7° | 120.0° |
| C3 | C4 | O3 | 117.6° | 120.0° |
| H3C1 | C3 | H3C2 | 112.4° | 109.5° |
| C5 | C4 | O3 | 121.7° | 120.0° |
| C4 | C5 | H5C1 | 109.5° | 109.5° |
| C4 | C5 | H5C2 | 109.5° | 109.5° |
| C4 | C5 | H5C3 | 109.5° | 109.4° |
| H5C1 | C5 | H5C2 | 109.5° | 109.5° |
| H5C1 | C5 | H5C3 | 109.4° | 109.4° |
| H5C2 | C5 | H5C3 | 109.5° | 109.4° |
| C7 | C6 | C12 | 116.7° | 119.9° |
| C6 | C7 | C8 | 121.2° | 120.0° |
| C6 | C7 | H7 | 119.4° | 120.0° |
| C6 | C12 | C10 | 121.2° | 120.0° |
| C6 | C12 | H12 | 119.4° | 119.9° |
| C8 | C7 | H7 | 119.4° | 120.0° |
| C7 | C8 | C9 | 120.5° | 120.0° |
| C7 | C8 | H8 | 119.7° | 120.0° |
| C9 | C8 | H8 | 119.8° | 120.0° |
| C8 | C9 | C10 | 119.3° | 120.0° |
| C8 | C9 | H9 | 120.4° | 120.0° |
| C10 | C9 | H9 | 120.3° | 120.1° |
| C9 | C10 | C12 | 121.1° | 120.0° |
| C9 | C10 | H10 | 119.4° | 120.0° |
| C12 | C10 | H10 | 119.4° | 120.0° |
| C10 | C12 | H12 | 119.4° | 120.0° |
| C13 | C11 | O1 | 119.4° | 121.8° |
| C13 | C11 | O2 | 125.1° | 119.1° |
| C11 | C13 | C14 | 118.3° | 119.7° |
| O1 | C11 | O2 | 115.5° | 119.1° |
| C11 | O1 | C19 | 122.7° | 121.7° |
| C13 | C14 | O4 | 125.2° | 121.0° |
| C14 | O4 | H4 | 120.0° | 106.8° |
| C16 | C15 | H15 | 119.9° | 120.2° |
| C15 | C16 | C17 | 120.4° | 120.3° |
| C15 | C16 | H16 | 119.8° | 119.9° |
| C17 | C16 | H16 | 119.8° | 119.8° |
| C16 | C17 | C18 | 120.5° | 120.6° |
| C16 | C17 | H17 | 119.7° | 119.7° |
| C18 | C17 | H17 | 119.7° | 119.7° |
| C17 | C18 | C19 | 119.0° | 120.0° |
| C17 | C18 | H18 | 120.5° | 120.0° |
| C19 | C18 | H18 | 120.5° | 120.0° |
| C18 | C19 | O1 | 117.2° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C1 | C15 | C19 | 179.4° | 179.9° |
| C1 | C14 | C13 | C2 | 179.1° | 180.0° |
| C1 | C14 | C13 | C11 | 0.8° | 0.2° |
| C1 | C14 | C13 | O4 | 179.4° | 180.0° |
| C14 | C1 | C15 | C16 | 179.3° | 180.0° |
| C14 | C1 | C15 | H15 | 0.7° | 0.2° |
| C14 | C1 | C19 | C18 | 179.5° | 180.0° |
| C14 | C1 | C19 | O1 | 0.6° | 0.0° |
| C1 | C14 | O4 | H4 | 0.0° | 0.1° |
| C15 | C1 | C14 | C13 | 179.3° | 179.9° |
| C15 | C1 | C14 | O4 | 0.2° | 0.1° |
| C1 | C15 | C16 | H15 | 180.0° | 179.9° |
| C1 | C15 | C16 | C17 | 0.1° | 0.0° |
| C1 | C15 | C16 | H16 | 179.9° | 179.9° |
| C15 | C1 | C19 | C18 | 0.0° | 0.0° |
| C15 | C1 | C19 | O1 | 180.0° | 179.9° |
| C1 | C19 | O1 | C11 | 0.4° | 0.2° |
| C19 | C1 | C14 | C13 | 0.1° | 0.0° |
| C19 | C1 | C14 | O4 | 179.6° | 180.0° |
| C19 | C1 | C15 | C16 | 0.1° | 0.1° |
| C19 | C1 | C15 | H15 | 180.0° | 179.9° |
| C1 | C19 | C18 | C17 | 0.3° | 0.0° |
| C1 | C19 | C18 | O1 | 180.0° | 179.9° |
| C1 | C19 | C18 | H18 | 179.8° | 179.9° |
| C3 | C2 | C6 | C13 | 125.2° | 120.0° |
| C3 | C2 | C6 | H2 | 117.2° | 120.0° |
| C3 | C2 | C13 | H2 | 117.5° | 120.0° |
| C2 | C3 | C4 | H3C1 | 120.6° | 120.0° |
| C2 | C3 | C4 | H3C2 | 117.9° | 120.0° |
| C2 | C3 | H3C1 | H3C2 | 118.1° | 120.0° |
| C2 | C3 | C4 | C5 | 149.0° | 180.0° |
| C2 | C3 | C4 | O3 | 30.1° | 0.0° |
| C3 | C2 | C6 | C7 | 144.3° | 157.2° |
| C3 | C2 | C6 | C12 | 35.8° | 23.1° |
| C3 | C2 | C13 | C11 | 127.0° | 127.2° |
| C3 | C2 | C13 | C14 | 53.1° | 53.0° |
| C6 | C2 | C13 | H2 | 116.1° | 120.0° |
| C6 | C2 | C3 | C4 | 74.1° | 174.2° |
| C6 | C2 | C3 | H3C1 | 46.5° | 65.7° |
| C6 | C2 | C3 | H3C2 | 167.9° | 54.2° |
| C2 | C6 | C7 | C12 | 179.9° | 179.7° |
| C2 | C6 | C7 | C8 | 179.8° | 180.0° |
| C2 | C6 | C7 | H7 | 0.2° | 0.0° |
| C2 | C6 | C12 | C10 | 179.8° | 179.8° |
| C6 | C2 | C13 | C11 | 106.6° | 112.8° |
| C2 | C6 | C12 | H12 | 0.2° | 0.3° |
| C6 | C2 | C13 | C14 | 73.3° | 67.0° |
| C13 | C2 | C3 | C4 | 159.7° | 65.7° |
| C13 | C2 | C3 | H3C1 | 79.7° | 54.3° |
| C13 | C2 | C3 | H3C2 | 41.7° | 174.3° |
| C13 | C2 | C6 | C7 | 90.4° | 82.8° |
| C13 | C2 | C6 | C12 | 89.5° | 96.9° |
| C2 | C13 | C11 | C14 | 180.0° | 179.8° |
| C2 | C13 | C11 | O1 | 179.0° | 179.7° |
| C2 | C13 | C11 | O2 | 0.6° | 0.3° |
| C2 | C13 | C14 | O4 | 0.3° | 0.0° |
| H2 | C2 | C3 | C4 | 42.0° | 54.2° |
| H2 | C2 | C3 | H3C1 | 162.6° | 174.2° |
| H2 | C2 | C3 | H3C2 | 76.0° | 65.8° |
| H2 | C2 | C6 | C7 | 27.1° | 37.2° |
| H2 | C2 | C6 | C12 | 153.0° | 143.1° |
| H2 | C2 | C13 | C11 | 9.5° | 7.3° |
| H2 | C2 | C13 | C14 | 170.5° | 173.0° |
| C4 | C3 | H3C1 | H3C2 | 118.1° | 120.0° |
| C3 | C4 | C5 | O3 | 179.0° | 180.0° |
| C3 | C4 | C5 | H5C1 | 171.4° | 180.0° |
| C3 | C4 | C5 | H5C2 | 51.4° | 59.9° |
| C3 | C4 | C5 | H5C3 | 68.6° | 60.0° |
| H3C1 | C3 | C4 | C5 | 28.3° | 60.1° |
| H3C1 | C3 | C4 | O3 | 150.7° | 120.0° |
| H3C2 | C3 | C4 | C5 | 93.1° | 60.0° |
| H3C2 | C3 | C4 | O3 | 87.8° | 120.0° |
| C4 | C5 | H5C1 | H5C2 | 120.0° | 120.1° |
| C4 | C5 | H5C1 | H5C3 | 120.0° | 120.0° |
| C4 | C5 | H5C2 | H5C3 | 120.0° | 120.0° |
| O3 | C4 | C5 | H5C1 | 7.6° | 0.1° |
| O3 | C4 | C5 | H5C2 | 127.6° | 120.0° |
| O3 | C4 | C5 | H5C3 | 112.4° | 120.0° |
| H5C1 | C5 | H5C2 | H5C3 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| C7 | C6 | C12 | C10 | 0.1° | 0.5° |
| C7 | C6 | C12 | H12 | 179.9° | 180.0° |
| C12 | C6 | C7 | C8 | 0.1° | 0.3° |
| C12 | C6 | C7 | H7 | 179.9° | 179.7° |
| C6 | C12 | C10 | C9 | 0.0° | 0.5° |
| C6 | C12 | C10 | H12 | 180.0° | 179.5° |
| C6 | C12 | C10 | H10 | 180.0° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C7 | C8 | C9 | H9 | 180.0° | 179.9° |
| H7 | C7 | C8 | C9 | 179.9° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C12 | 0.0° | 0.2° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| H8 | C8 | C9 | C10 | 180.0° | 180.0° |
| H8 | C8 | C9 | H9 | 0.0° | 0.1° |
| C9 | C10 | C12 | H10 | 180.0° | 179.8° |
| C9 | C10 | C12 | H12 | 180.0° | 180.0° |
| H9 | C9 | C10 | C12 | 180.0° | 179.8° |
| H9 | C9 | C10 | H10 | 0.0° | 0.1° |
| H10 | C10 | C12 | H12 | 0.0° | 0.3° |
| C13 | C11 | O1 | O2 | 179.6° | 179.5° |
| C11 | C13 | C14 | O4 | 179.7° | 179.8° |
| C13 | C11 | O1 | C19 | 0.4° | 0.5° |
| O1 | C11 | C13 | C14 | 1.0° | 0.5° |
| C11 | O1 | C19 | C18 | 179.6° | 179.7° |
| O2 | C11 | C13 | C14 | 179.4° | 179.9° |
| O2 | C11 | O1 | C19 | 180.0° | 179.9° |
| C13 | C14 | O4 | H4 | 179.5° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C15 | C16 | C17 | H17 | 179.7° | 180.0° |
| H15 | C15 | C16 | C17 | 179.9° | 179.9° |
| H15 | C15 | C16 | H16 | 0.1° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C16 | C17 | C18 | H18 | 179.6° | 179.9° |
| H16 | C16 | C17 | C18 | 179.7° | 179.9° |
| H16 | C16 | C17 | H17 | 0.3° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | O1 | 179.8° | 179.9° |
| H17 | C17 | C18 | C19 | 179.6° | 180.0° |
| H17 | C17 | C18 | H18 | 0.4° | 0.1° |
| H18 | C18 | C19 | O1 | 0.2° | 0.1° |
