FPW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O17 | sing | 1.36Å | 1.36Å | |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | N22 | sing | 1.39Å | 1.41Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.42Å | 1.42Å | Aromatic |
| C7 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C7 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | N9 | sing | 1.34Å | 1.35Å | Aromatic |
| C8 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| N9 | C10 | doub | 1.31Å | 1.32Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | O17 | sing | 1.36Å | 1.37Å | |
| C13 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C16 | doub | 1.36Å | 1.37Å | Aromatic |
| C13 | O18 | sing | 1.36Å | 1.38Å | |
| C14 | C15 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | O19 | sing | 1.36Å | 1.37Å | |
| O18 | C20 | sing | 1.43Å | 1.45Å | |
| O19 | C21 | sing | 1.43Å | 1.42Å | |
| N22 | C32 | sing | 1.35Å | 1.36Å | |
| N23 | C24 | sing | 1.35Å | 1.36Å | |
| N23 | C25 | sing | 1.46Å | 1.47Å | |
| N23 | C26 | sing | 1.35Å | 1.38Å | |
| C24 | C27 | sing | 1.42Å | 1.45Å | |
| C24 | O28 | doub | 1.22Å | 1.24Å | |
| C25 | C29 | sing | 1.51Å | 1.53Å | |
| C26 | C30 | doub | 1.36Å | 1.37Å | |
| C27 | C31 | doub | 1.39Å | 1.41Å | |
| C27 | C32 | sing | 1.47Å | 1.47Å | |
| C29 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.41Å | |
| C32 | O35 | doub | 1.22Å | 1.24Å | |
| C33 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.8° | 119.2° |
| C2 | C1 | O17 | 119.8° | 120.4° |
| C1 | C2 | N3 | 120.6° | 120.8° |
| C1 | C2 | H2 | 119.7° | 119.6° |
| C6 | C1 | O17 | 120.4° | 120.4° |
| C1 | C6 | C5 | 118.0° | 118.5° |
| C1 | C6 | H6 | 121.0° | 120.8° |
| C1 | O17 | C12 | 121.2° | 118.0° |
| C2 | N3 | C4 | 122.1° | 121.7° |
| N3 | C2 | H2 | 119.7° | 119.6° |
| N3 | C4 | C5 | 119.8° | 120.7° |
| N3 | C4 | N22 | 117.8° | 119.6° |
| C5 | C4 | N22 | 122.3° | 119.7° |
| C4 | C5 | C6 | 119.6° | 119.2° |
| C4 | C5 | H5 | 120.2° | 120.4° |
| C4 | N22 | C32 | 124.8° | 120.0° |
| C4 | N22 | HN22 | 117.6° | 120.0° |
| C6 | C5 | H5 | 120.2° | 120.4° |
| C5 | C6 | H6 | 121.0° | 120.8° |
| C8 | C7 | C12 | 119.1° | 118.9° |
| C8 | C7 | C16 | 120.3° | 119.8° |
| C7 | C8 | N9 | 119.8° | 119.9° |
| C7 | C8 | C15 | 118.4° | 119.2° |
| C12 | C7 | C16 | 120.6° | 121.2° |
| C7 | C12 | C11 | 117.7° | 118.0° |
| C7 | C12 | O17 | 118.2° | 121.0° |
| C7 | C16 | C13 | 120.5° | 119.7° |
| C7 | C16 | H16 | 119.7° | 120.2° |
| N9 | C8 | C15 | 121.8° | 120.9° |
| C8 | N9 | C10 | 121.8° | 121.6° |
| C8 | C15 | C14 | 120.3° | 119.8° |
| C8 | C15 | H15 | 119.9° | 120.1° |
| N9 | C10 | C11 | 121.7° | 121.8° |
| N9 | C10 | H10 | 119.2° | 119.1° |
| C10 | C11 | C12 | 119.8° | 119.7° |
| C11 | C10 | H10 | 119.1° | 119.1° |
| C10 | C11 | H11 | 120.1° | 120.1° |
| C11 | C12 | O17 | 124.1° | 121.0° |
| C12 | C11 | H11 | 120.1° | 120.1° |
| C14 | C13 | C16 | 119.2° | 120.7° |
| C14 | C13 | O18 | 119.6° | 119.7° |
| C13 | C14 | C15 | 121.2° | 120.9° |
| C13 | C14 | O19 | 117.8° | 119.6° |
| C16 | C13 | O18 | 121.1° | 119.7° |
| C13 | C16 | H16 | 119.8° | 120.2° |
| C13 | O18 | C20 | 123.5° | 117.0° |
| C15 | C14 | O19 | 121.0° | 119.6° |
| C14 | C15 | H15 | 119.8° | 120.1° |
| C14 | O19 | C21 | 120.4° | 117.0° |
| O18 | C20 | H20 | 109.5° | 109.5° |
| O18 | C20 | H20A | 109.4° | 109.5° |
| O18 | C20 | H20B | 109.5° | 109.5° |
| O19 | C21 | H21 | 109.5° | 109.5° |
| O19 | C21 | H21A | 109.5° | 109.4° |
| O19 | C21 | H21B | 109.4° | 109.5° |
| N22 | C32 | C27 | 117.5° | 120.0° |
| N22 | C32 | O35 | 123.0° | 120.0° |
| C32 | N22 | HN22 | 117.6° | 120.0° |
| C24 | N23 | C25 | 121.2° | 119.4° |
| C24 | N23 | C26 | 121.0° | 121.1° |
| N23 | C24 | C27 | 118.3° | 119.8° |
| N23 | C24 | O28 | 121.0° | 120.2° |
| C25 | N23 | C26 | 117.8° | 119.5° |
| N23 | C25 | C29 | 111.9° | 109.5° |
| N23 | C25 | H25 | 108.7° | 109.5° |
| N23 | C25 | H25A | 108.7° | 109.5° |
| N23 | C26 | C30 | 122.8° | 121.2° |
| N23 | C26 | H26 | 118.6° | 119.4° |
| C27 | C24 | O28 | 120.7° | 120.0° |
| C24 | C27 | C31 | 120.0° | 118.8° |
| C24 | C27 | C32 | 120.1° | 120.6° |
| C25 | C29 | C33 | 122.6° | 120.0° |
| C25 | C29 | C34 | 118.6° | 120.0° |
| C29 | C25 | H25 | 108.7° | 109.4° |
| C29 | C25 | H25A | 108.7° | 109.4° |
| C26 | C30 | C31 | 118.7° | 120.1° |
| C30 | C26 | H26 | 118.6° | 119.3° |
| C26 | C30 | H30 | 120.6° | 119.9° |
| C31 | C27 | C32 | 119.9° | 120.6° |
| C27 | C31 | C30 | 119.2° | 119.0° |
| C27 | C31 | H31 | 120.4° | 120.5° |
| C27 | C32 | O35 | 119.4° | 120.0° |
| C33 | C29 | C34 | 118.6° | 120.0° |
| C29 | C33 | C36 | 121.0° | 120.0° |
| C29 | C33 | H33 | 119.5° | 120.0° |
| C29 | C34 | C37 | 120.8° | 120.0° |
| C29 | C34 | H34 | 119.6° | 120.0° |
| C31 | C30 | H30 | 120.6° | 119.9° |
| C30 | C31 | H31 | 120.4° | 120.6° |
| C33 | C36 | C38 | 119.8° | 120.0° |
| C36 | C33 | H33 | 119.5° | 119.9° |
| C33 | C36 | H36 | 120.1° | 120.0° |
| C34 | C37 | C38 | 119.9° | 120.0° |
| C37 | C34 | H34 | 119.6° | 120.0° |
| C34 | C37 | H37 | 120.1° | 120.0° |
| C36 | C38 | C37 | 119.9° | 120.0° |
| C38 | C36 | H36 | 120.1° | 120.0° |
| C36 | C38 | H38 | 120.0° | 120.1° |
| C38 | C37 | H37 | 120.1° | 120.0° |
| C37 | C38 | H38 | 120.1° | 119.9° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.5° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.5° | 109.4° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H25 | C25 | H25A | 110.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O17 | 179.0° | 179.7° |
| C1 | C2 | N3 | H2 | 180.0° | 179.9° |
| C1 | C2 | N3 | C4 | 2.1° | 0.1° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C2 | C1 | O17 | C12 | 103.3° | 72.8° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| C6 | C1 | C2 | N3 | 0.4° | 0.1° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C1 | O17 | C12 | 77.7° | 107.5° |
| C6 | C1 | C2 | H2 | 179.6° | 180.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| O17 | C1 | C2 | N3 | 178.6° | 179.8° |
| O17 | C1 | C6 | C5 | 179.6° | 179.7° |
| C1 | O17 | C12 | C7 | 163.2° | 173.6° |
| C1 | O17 | C12 | C11 | 15.1° | 6.4° |
| O17 | C1 | C2 | H2 | 1.4° | 0.3° |
| O17 | C1 | C6 | H6 | 0.4° | 0.3° |
| C2 | N3 | C4 | C5 | 2.6° | 0.0° |
| C2 | N3 | C4 | N22 | 178.9° | 179.9° |
| N3 | C4 | C5 | N22 | 178.4° | 180.0° |
| N3 | C4 | C5 | C6 | 1.5° | 0.0° |
| N3 | C4 | N22 | C32 | 153.6° | 157.3° |
| C4 | N3 | C2 | H2 | 177.9° | 180.0° |
| N3 | C4 | C5 | H5 | 178.5° | 179.9° |
| N3 | C4 | N22 | HN22 | 26.5° | 22.6° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | N22 | C32 | 28.0° | 22.7° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | N22 | HN22 | 152.0° | 157.4° |
| N22 | C4 | C5 | C6 | 179.9° | 180.0° |
| C4 | N22 | C32 | HN22 | 180.0° | 179.9° |
| C4 | N22 | C32 | C27 | 179.0° | 174.9° |
| C4 | N22 | C32 | O35 | 1.4° | 5.2° |
| N22 | C4 | C5 | H5 | 0.1° | 0.1° |
| C8 | C7 | C12 | C16 | 177.3° | 179.7° |
| C7 | C8 | N9 | C15 | 177.9° | 179.9° |
| C7 | C8 | N9 | C10 | 2.8° | 0.1° |
| C8 | C7 | C12 | C11 | 3.9° | 0.1° |
| C8 | C7 | C12 | O17 | 177.7° | 180.0° |
| C8 | C7 | C16 | C13 | 4.6° | 0.0° |
| C7 | C8 | C15 | C14 | 0.5° | 0.1° |
| C7 | C8 | C15 | H15 | 179.5° | 179.9° |
| C8 | C7 | C16 | H16 | 175.4° | 179.9° |
| C12 | C7 | C8 | N9 | 1.5° | 0.0° |
| C12 | C7 | C8 | C15 | 179.5° | 180.0° |
| C7 | C12 | C11 | C10 | 2.1° | 0.1° |
| C7 | C12 | C11 | O17 | 178.3° | 179.9° |
| C12 | C7 | C16 | C13 | 178.1° | 179.7° |
| C7 | C12 | C11 | H11 | 177.9° | 179.9° |
| C12 | C7 | C16 | H16 | 1.9° | 0.2° |
| C16 | C7 | C8 | N9 | 178.9° | 179.8° |
| C16 | C7 | C8 | C15 | 3.2° | 0.3° |
| C16 | C7 | C12 | C11 | 178.8° | 179.7° |
| C16 | C7 | C12 | O17 | 0.4° | 0.2° |
| C7 | C16 | C13 | C14 | 3.2° | 0.6° |
| C7 | C16 | C13 | H16 | 180.0° | 179.9° |
| C7 | C16 | C13 | O18 | 179.7° | 179.8° |
| C8 | N9 | C10 | C11 | 4.8° | 0.1° |
| N9 | C8 | C15 | C14 | 178.4° | 180.0° |
| C8 | N9 | C10 | H10 | 175.2° | 180.0° |
| N9 | C8 | C15 | H15 | 1.6° | 0.0° |
| C15 | C8 | N9 | C10 | 175.0° | 180.0° |
| C8 | C15 | C14 | C13 | 0.8° | 0.5° |
| C8 | C15 | C14 | H15 | 180.0° | 180.0° |
| C8 | C15 | C14 | O19 | 179.2° | 179.7° |
| N9 | C10 | C11 | H10 | 180.0° | 180.0° |
| N9 | C10 | C11 | C12 | 2.2° | 0.0° |
| N9 | C10 | C11 | H11 | 177.8° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | O17 | 179.6° | 180.0° |
| C12 | C11 | C10 | H10 | 177.8° | 179.9° |
| O17 | C12 | C11 | H11 | 0.4° | 0.0° |
| C14 | C13 | C16 | O18 | 176.4° | 179.2° |
| C13 | C14 | C15 | O19 | 178.4° | 179.2° |
| C14 | C13 | O18 | C20 | 171.7° | 180.0° |
| C13 | C14 | O19 | C21 | 175.7° | 180.0° |
| C13 | C14 | C15 | H15 | 179.2° | 179.5° |
| C14 | C13 | C16 | H16 | 176.7° | 179.5° |
| C16 | C13 | C14 | C15 | 0.5° | 0.8° |
| C16 | C13 | C14 | O19 | 177.9° | 180.0° |
| C16 | C13 | O18 | C20 | 11.9° | 0.8° |
| O18 | C13 | C14 | C15 | 177.0° | 180.0° |
| O18 | C13 | C14 | O19 | 1.4° | 0.8° |
| O18 | C13 | C16 | H16 | 0.3° | 0.4° |
| C13 | O18 | C20 | H20 | 180.0° | 60.0° |
| C13 | O18 | C20 | H20A | 60.0° | 60.0° |
| C13 | O18 | C20 | H20B | 60.0° | 180.0° |
| C15 | C14 | O19 | C21 | 2.8° | 0.8° |
| O19 | C14 | C15 | H15 | 0.7° | 0.3° |
| C14 | O19 | C21 | H21 | 180.0° | 60.0° |
| C14 | O19 | C21 | H21A | 60.0° | 180.0° |
| C14 | O19 | C21 | H21B | 60.0° | 60.1° |
| O18 | C20 | H20 | H20A | 120.0° | 120.0° |
| O18 | C20 | H20 | H20B | 120.0° | 120.0° |
| O18 | C20 | H20A | H20B | 120.0° | 120.0° |
| O19 | C21 | H21 | H21A | 120.0° | 119.9° |
| O19 | C21 | H21 | H21B | 120.0° | 120.1° |
| O19 | C21 | H21A | H21B | 120.0° | 120.0° |
| N22 | C32 | C27 | C24 | 1.0° | 7.4° |
| N22 | C32 | C27 | C31 | 177.7° | 172.7° |
| N22 | C32 | C27 | O35 | 177.7° | 180.0° |
| C24 | N23 | C25 | C26 | 179.8° | 179.7° |
| N23 | C24 | C27 | O28 | 179.3° | 180.0° |
| C24 | N23 | C25 | C29 | 89.1° | 90.0° |
| C24 | N23 | C26 | C30 | 1.5° | 0.0° |
| N23 | C24 | C27 | C31 | 0.4° | 0.0° |
| N23 | C24 | C27 | C32 | 178.3° | 180.0° |
| C24 | N23 | C25 | H25 | 31.0° | 150.0° |
| C24 | N23 | C25 | H25A | 151.0° | 30.0° |
| C24 | N23 | C26 | H26 | 178.5° | 180.0° |
| C25 | N23 | C24 | C27 | 178.2° | 180.0° |
| C25 | N23 | C24 | O28 | 2.5° | 0.0° |
| N23 | C25 | C29 | H25 | 120.0° | 120.0° |
| N23 | C25 | C29 | H25A | 120.0° | 120.1° |
| C25 | N23 | C26 | C30 | 178.3° | 179.7° |
| N23 | C25 | C29 | C33 | 32.8° | 90.0° |
| N23 | C25 | C29 | C34 | 151.2° | 90.3° |
| N23 | C25 | H25 | H25A | 119.0° | 120.1° |
| C25 | N23 | C26 | H26 | 1.7° | 0.3° |
| C26 | N23 | C24 | C27 | 1.7° | 0.3° |
| C26 | N23 | C24 | O28 | 177.6° | 179.7° |
| C26 | N23 | C25 | C29 | 90.8° | 89.7° |
| N23 | C26 | C30 | H26 | 180.0° | 180.0° |
| N23 | C26 | C30 | C31 | 0.0° | 0.6° |
| C26 | N23 | C25 | H25 | 149.2° | 30.2° |
| C26 | N23 | C25 | H25A | 29.2° | 150.3° |
| N23 | C26 | C30 | H30 | 180.0° | 180.0° |
| C24 | C27 | C31 | C32 | 178.7° | 179.9° |
| C24 | C27 | C31 | C30 | 1.1° | 0.5° |
| C24 | C27 | C32 | O35 | 178.7° | 172.6° |
| C24 | C27 | C31 | H31 | 178.9° | 180.0° |
| O28 | C24 | C27 | C31 | 178.9° | 180.0° |
| O28 | C24 | C27 | C32 | 2.4° | 0.0° |
| C25 | C29 | C33 | C34 | 176.0° | 179.8° |
| C25 | C29 | C33 | C36 | 177.5° | 180.0° |
| C25 | C29 | C34 | C37 | 178.0° | 180.0° |
| C29 | C25 | H25 | H25A | 119.0° | 119.9° |
| C25 | C29 | C33 | H33 | 2.5° | 0.0° |
| C25 | C29 | C34 | H34 | 2.0° | 0.1° |
| C26 | C30 | C31 | C27 | 1.2° | 0.8° |
| C26 | C30 | C31 | H30 | 180.0° | 179.4° |
| C26 | C30 | C31 | H31 | 178.7° | 179.7° |
| C27 | C31 | C30 | H31 | 180.0° | 179.5° |
| C31 | C27 | C32 | O35 | 0.0° | 7.4° |
| C27 | C31 | C30 | H30 | 178.8° | 179.8° |
| C32 | C27 | C31 | C30 | 179.7° | 179.4° |
| C27 | C32 | N22 | HN22 | 1.0° | 5.0° |
| C32 | C27 | C31 | H31 | 0.3° | 0.1° |
| C29 | C33 | C36 | H33 | 180.0° | 180.0° |
| C33 | C29 | C34 | C37 | 1.9° | 0.3° |
| C29 | C33 | C36 | C38 | 1.6° | 0.0° |
| C33 | C29 | C25 | H25 | 87.2° | 30.1° |
| C33 | C29 | C25 | H25A | 152.8° | 150.0° |
| C33 | C29 | C34 | H34 | 178.1° | 179.7° |
| C29 | C33 | C36 | H36 | 178.4° | 179.9° |
| C34 | C29 | C33 | C36 | 1.5° | 0.3° |
| C29 | C34 | C37 | H34 | 180.0° | 180.0° |
| C29 | C34 | C37 | C38 | 2.3° | 0.0° |
| C34 | C29 | C25 | H25 | 88.8° | 149.7° |
| C34 | C29 | C25 | H25A | 31.2° | 29.8° |
| C34 | C29 | C33 | H33 | 178.5° | 179.8° |
| C29 | C34 | C37 | H37 | 177.7° | 179.9° |
| C31 | C30 | C26 | H26 | 180.0° | 179.4° |
| O35 | C32 | N22 | HN22 | 178.6° | 174.9° |
| C33 | C36 | C38 | H36 | 180.0° | 179.9° |
| C33 | C36 | C38 | C37 | 2.0° | 0.3° |
| C33 | C36 | C38 | H38 | 178.0° | 180.0° |
| C34 | C37 | C38 | C36 | 2.3° | 0.3° |
| C34 | C37 | C38 | H37 | 180.0° | 179.9° |
| C34 | C37 | C38 | H38 | 177.7° | 180.0° |
| C36 | C38 | C37 | H38 | 180.0° | 179.7° |
| C38 | C36 | C33 | H33 | 178.4° | 180.0° |
| C36 | C38 | C37 | H37 | 177.7° | 179.7° |
| C38 | C37 | C34 | H34 | 177.7° | 180.0° |
| C37 | C38 | C36 | H36 | 178.0° | 179.8° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| H10 | C10 | C11 | H11 | 2.2° | 0.1° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.1° |
| H26 | C26 | C30 | H30 | 0.0° | 0.0° |
| H30 | C30 | C31 | H31 | 1.3° | 0.3° |
| H33 | C33 | C36 | H36 | 1.6° | 0.1° |
| H34 | C34 | C37 | H37 | 2.3° | 0.0° |
| H36 | C36 | C38 | H38 | 2.0° | 0.1° |
| H37 | C37 | C38 | H38 | 2.3° | 0.1° |
