P88
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| O1 | N1 | sing | 1.21Å | 1.44Å | Aromatic |
| C5 | N1 | doub | 1.31Å | 1.36Å | Aromatic |
| C4 | O1 | sing | 1.34Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.51Å | 1.48Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | N2 | doub | 1.34Å | 1.36Å | Aromatic |
| N2 | C20 | sing | 1.31Å | 1.34Å | Aromatic |
| C8 | O2 | sing | 1.36Å | 1.37Å | |
| O2 | C7 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| O3 | C23 | doub | 1.21Å | 1.25Å | |
| C4 | C6 | doub | 1.35Å | 1.48Å | Aromatic |
| O4 | C23 | sing | 1.35Å | 1.25Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | C5 | sing | 1.42Å | 1.40Å | Aromatic |
| C5 | C24 | sing | 1.48Å | 1.49Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C13 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | C11 | sing | 1.48Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | doub | 1.36Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C21 | sing | 1.42Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | C19 | sing | 1.48Å | 1.50Å | |
| C20 | C21 | doub | 1.41Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| CL1 | C25 | sing | 1.51Å | 1.79Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| CL2 | C29 | sing | 1.51Å | 1.79Å | |
| CL1 | HL1 | sing | 1.09Å | 1.10Å | |
| CL1 | HL1A | sing | 1.09Å | 1.10Å | |
| CL1 | HL1B | sing | 1.09Å | 1.10Å | |
| CL2 | HL2 | sing | 1.09Å | 1.10Å | |
| CL2 | HL2A | sing | 1.09Å | 1.10Å | |
| CL2 | HL2B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H1A | 109.4° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | C3 | 111.3° | 109.5° |
| C1 | C2 | C4 | 109.9° | 109.5° |
| C1 | C2 | H2 | 108.1° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| O1 | N1 | C5 | 107.4° | 111.4° |
| N1 | O1 | C4 | 110.3° | 111.8° |
| N1 | C5 | C6 | 109.6° | 106.1° |
| N1 | C5 | C24 | 125.6° | 126.9° |
| O1 | C4 | C2 | 118.4° | 126.7° |
| O1 | C4 | C6 | 106.0° | 106.7° |
| C3 | C2 | C4 | 109.9° | 109.5° |
| C3 | C2 | H2 | 108.1° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H3A | 109.5° | 109.5° |
| C2 | C3 | H3B | 109.5° | 109.5° |
| C4 | C2 | H2 | 109.5° | 109.5° |
| C2 | C4 | C6 | 135.6° | 126.7° |
| C19 | N2 | C20 | 121.6° | 122.6° |
| N2 | C19 | C18 | 119.7° | 121.4° |
| N2 | C19 | C23 | 119.6° | 119.3° |
| N2 | C20 | C21 | 120.6° | 120.3° |
| N2 | C20 | H20 | 119.7° | 119.9° |
| C8 | O2 | C7 | 123.7° | 117.0° |
| O2 | C8 | C13 | 122.6° | 120.0° |
| O2 | C8 | C9 | 118.6° | 119.9° |
| O2 | C7 | C6 | 107.8° | 109.5° |
| O2 | C7 | H7 | 110.0° | 109.5° |
| O2 | C7 | H7A | 110.0° | 109.4° |
| H3 | C3 | H3A | 109.4° | 109.4° |
| H3 | C3 | H3B | 109.4° | 109.4° |
| H3A | C3 | H3B | 109.5° | 109.5° |
| O3 | C23 | O4 | 121.7° | 120.0° |
| O3 | C23 | C19 | 119.5° | 120.0° |
| C4 | C6 | C5 | 106.7° | 103.9° |
| C4 | C6 | C7 | 126.4° | 128.0° |
| C23 | O4 | HO4 | 109.5° | 117.0° |
| O4 | C23 | C19 | 118.8° | 120.0° |
| C6 | C5 | C24 | 124.8° | 127.0° |
| C5 | C6 | C7 | 126.9° | 128.1° |
| C5 | C24 | C25 | 119.8° | 120.1° |
| C5 | C24 | C29 | 120.8° | 120.1° |
| C6 | C7 | H7 | 110.0° | 109.5° |
| C6 | C7 | H7A | 110.0° | 109.4° |
| H7 | C7 | H7A | 108.9° | 109.4° |
| C13 | C8 | C9 | 118.8° | 120.1° |
| C8 | C13 | C12 | 120.3° | 120.1° |
| C8 | C13 | H13 | 119.8° | 120.0° |
| C8 | C9 | C10 | 120.8° | 120.1° |
| C8 | C9 | H9 | 119.6° | 119.9° |
| C10 | C9 | H9 | 119.6° | 120.0° |
| C9 | C10 | C11 | 121.4° | 119.9° |
| C9 | C10 | H10 | 119.3° | 120.1° |
| C11 | C10 | H10 | 119.3° | 120.0° |
| C10 | C11 | C14 | 121.5° | 120.1° |
| C10 | C11 | C12 | 117.0° | 119.9° |
| C14 | C11 | C12 | 121.5° | 120.1° |
| C11 | C14 | C15 | 120.9° | 119.6° |
| C11 | C14 | C22 | 122.0° | 119.7° |
| C11 | C12 | C13 | 121.7° | 119.9° |
| C11 | C12 | H12 | 119.1° | 120.0° |
| C13 | C12 | H12 | 119.2° | 120.1° |
| C12 | C13 | H13 | 119.9° | 120.0° |
| C15 | C14 | C22 | 117.1° | 120.7° |
| C14 | C15 | C16 | 121.4° | 120.8° |
| C14 | C15 | H15 | 119.3° | 119.6° |
| C14 | C22 | C21 | 121.2° | 119.4° |
| C14 | C22 | H22 | 119.4° | 120.3° |
| C16 | C15 | H15 | 119.3° | 119.6° |
| C15 | C16 | C17 | 120.3° | 119.9° |
| C15 | C16 | H16 | 119.9° | 120.1° |
| C17 | C16 | H16 | 119.8° | 120.1° |
| C16 | C17 | C18 | 120.6° | 121.9° |
| C16 | C17 | C21 | 119.5° | 119.8° |
| C18 | C17 | C21 | 119.9° | 118.3° |
| C17 | C18 | C19 | 119.2° | 118.6° |
| C17 | C18 | H18 | 120.4° | 120.7° |
| C17 | C21 | C20 | 119.0° | 118.8° |
| C17 | C21 | C22 | 120.5° | 119.4° |
| C19 | C18 | H18 | 120.4° | 120.7° |
| C18 | C19 | C23 | 120.6° | 119.3° |
| C21 | C20 | H20 | 119.7° | 119.8° |
| C20 | C21 | C22 | 120.5° | 121.7° |
| C21 | C22 | H22 | 119.4° | 120.3° |
| C25 | C24 | C29 | 119.4° | 119.8° |
| C24 | C25 | CL1 | 119.9° | 120.1° |
| C24 | C25 | C26 | 120.7° | 119.8° |
| C24 | C29 | C28 | 120.4° | 119.8° |
| C24 | C29 | CL2 | 120.9° | 120.1° |
| CL1 | C25 | C26 | 119.3° | 120.1° |
| C25 | CL1 | HL1 | 109.5° | 109.5° |
| C25 | CL1 | HL1A | 109.5° | 109.5° |
| C25 | CL1 | HL1B | 109.5° | 109.4° |
| C25 | C26 | C27 | 119.8° | 120.1° |
| C25 | C26 | H26 | 120.1° | 119.9° |
| C27 | C26 | H26 | 120.1° | 120.0° |
| C26 | C27 | C28 | 119.8° | 120.3° |
| C26 | C27 | H27 | 120.1° | 119.9° |
| C28 | C27 | H27 | 120.1° | 119.9° |
| C27 | C28 | C29 | 119.9° | 120.1° |
| C27 | C28 | H28 | 120.1° | 120.0° |
| C29 | C28 | H28 | 120.0° | 119.9° |
| C28 | C29 | CL2 | 118.7° | 120.1° |
| C29 | CL2 | HL2 | 109.5° | 109.5° |
| C29 | CL2 | HL2A | 109.5° | 109.5° |
| C29 | CL2 | HL2B | 109.5° | 109.5° |
| HL1 | CL1 | HL1A | 109.5° | 109.5° |
| HL1 | CL1 | HL1B | 109.4° | 109.5° |
| HL1A | CL1 | HL1B | 109.5° | 109.5° |
| HL2 | CL2 | HL2A | 109.5° | 109.5° |
| HL2 | CL2 | HL2B | 109.5° | 109.4° |
| HL2A | CL2 | HL2B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C4 | O1 | 87.2° | 60.0° |
| C1 | C2 | C3 | C4 | 122.0° | 120.0° |
| C1 | C2 | C3 | H2 | 118.5° | 120.0° |
| C1 | C2 | C4 | H2 | 118.6° | 120.0° |
| C1 | C2 | C3 | H3 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3A | 60.0° | 180.0° |
| C1 | C2 | C3 | H3B | 60.0° | 60.0° |
| C1 | C2 | C4 | C6 | 92.8° | 119.9° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | C3 | 180.0° | 60.0° |
| H1 | C1 | C2 | C4 | 58.0° | 180.0° |
| H1 | C1 | C2 | H2 | 61.5° | 60.0° |
| H1A | C1 | C2 | C3 | 60.0° | 180.0° |
| H1A | C1 | C2 | C4 | 178.0° | 60.0° |
| H1A | C1 | C2 | H2 | 58.6° | 60.0° |
| H1B | C1 | C2 | C3 | 60.0° | 60.0° |
| H1B | C1 | C2 | C4 | 62.0° | 60.0° |
| H1B | C1 | C2 | H2 | 178.5° | 180.0° |
| N1 | O1 | C4 | C2 | 179.9° | 180.0° |
| N1 | O1 | C4 | C6 | 0.1° | 0.1° |
| O1 | N1 | C5 | C6 | 0.3° | 0.0° |
| O1 | N1 | C5 | C24 | 180.0° | 179.9° |
| C5 | N1 | O1 | C4 | 0.3° | 0.0° |
| N1 | C5 | C6 | C4 | 0.2° | 0.1° |
| N1 | C5 | C6 | C24 | 179.7° | 179.9° |
| N1 | C5 | C6 | C7 | 179.7° | 180.0° |
| N1 | C5 | C24 | C25 | 75.5° | 62.0° |
| N1 | C5 | C24 | C29 | 105.2° | 117.9° |
| O1 | C4 | C2 | C3 | 35.6° | 60.0° |
| O1 | C4 | C2 | C6 | 180.0° | 179.9° |
| O1 | C4 | C2 | H2 | 154.2° | 180.0° |
| O1 | C4 | C6 | C5 | 0.0° | 0.1° |
| O1 | C4 | C6 | C7 | 179.9° | 180.0° |
| C3 | C2 | C4 | H2 | 118.6° | 120.0° |
| C2 | C3 | H3 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3B | 120.0° | 120.0° |
| C2 | C3 | H3A | H3B | 120.0° | 120.1° |
| C3 | C2 | C4 | C6 | 144.4° | 120.1° |
| C4 | C2 | C3 | H3 | 58.0° | 60.0° |
| C4 | C2 | C3 | H3A | 62.0° | 60.0° |
| C4 | C2 | C3 | H3B | 178.0° | 180.0° |
| C2 | C4 | C6 | C5 | 179.9° | 180.0° |
| C2 | C4 | C6 | C7 | 0.1° | 0.1° |
| H2 | C2 | C3 | H3 | 61.5° | 180.0° |
| H2 | C2 | C3 | H3A | 178.6° | 60.0° |
| H2 | C2 | C3 | H3B | 58.5° | 60.0° |
| H2 | C2 | C4 | C6 | 25.8° | 0.1° |
| N2 | C19 | C23 | O3 | 177.0° | 180.0° |
| N2 | C19 | C23 | O4 | 2.0° | 0.1° |
| N2 | C19 | C18 | C17 | 0.1° | 0.0° |
| N2 | C19 | C18 | C23 | 179.6° | 180.0° |
| N2 | C19 | C18 | H18 | 180.0° | 179.9° |
| C19 | N2 | C20 | C21 | 0.4° | 0.0° |
| C19 | N2 | C20 | H20 | 179.5° | 180.0° |
| N2 | C20 | C21 | C17 | 0.4° | 0.0° |
| C20 | N2 | C19 | C18 | 0.3° | 0.0° |
| C20 | N2 | C19 | C23 | 179.9° | 180.0° |
| N2 | C20 | C21 | H20 | 180.0° | 180.0° |
| N2 | C20 | C21 | C22 | 179.7° | 179.9° |
| C8 | O2 | C7 | C6 | 178.1° | 180.0° |
| C8 | O2 | C7 | H7 | 61.9° | 59.9° |
| C8 | O2 | C7 | H7A | 58.1° | 60.0° |
| O2 | C8 | C13 | C9 | 179.6° | 179.8° |
| O2 | C8 | C9 | C10 | 179.8° | 180.0° |
| O2 | C8 | C9 | H9 | 0.3° | 0.0° |
| O2 | C8 | C13 | C12 | 179.7° | 179.8° |
| O2 | C8 | C13 | H13 | 0.2° | 0.2° |
| O2 | C7 | C6 | C4 | 124.7° | 84.0° |
| O2 | C7 | C6 | C5 | 55.3° | 95.9° |
| O2 | C7 | C6 | H7 | 120.0° | 120.1° |
| O2 | C7 | C6 | H7A | 120.0° | 120.0° |
| O2 | C7 | H7 | H7A | 120.7° | 119.9° |
| C7 | O2 | C8 | C13 | 19.1° | 0.3° |
| C7 | O2 | C8 | C9 | 161.4° | 179.9° |
| H3 | C3 | H3A | H3B | 120.0° | 119.9° |
| O3 | C23 | O4 | C19 | 179.0° | 179.9° |
| O3 | C23 | O4 | HO4 | 0.0° | 0.1° |
| O3 | C23 | C19 | C18 | 2.5° | 0.0° |
| C4 | C6 | C5 | C7 | 180.0° | 179.9° |
| C4 | C6 | C5 | C24 | 179.9° | 180.0° |
| C4 | C6 | C7 | H7 | 115.3° | 36.1° |
| C4 | C6 | C7 | H7A | 4.7° | 156.1° |
| O4 | C23 | C19 | C18 | 178.4° | 179.9° |
| HO4 | O4 | C23 | C19 | 179.0° | 180.0° |
| C5 | C6 | C7 | H7 | 64.7° | 144.0° |
| C5 | C6 | C7 | H7A | 175.2° | 24.1° |
| C6 | C5 | C24 | C25 | 104.1° | 118.2° |
| C6 | C5 | C24 | C29 | 75.2° | 62.0° |
| C24 | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C24 | C25 | C29 | 179.3° | 179.8° |
| C5 | C24 | C25 | CL1 | 0.6° | 0.0° |
| C5 | C24 | C25 | C26 | 179.4° | 180.0° |
| C5 | C24 | C29 | C28 | 179.4° | 179.7° |
| C5 | C24 | C29 | CL2 | 1.0° | 0.1° |
| C6 | C7 | H7 | H7A | 120.7° | 120.0° |
| C13 | C8 | C9 | C10 | 0.1° | 0.2° |
| C13 | C8 | C9 | H9 | 179.9° | 179.8° |
| C8 | C13 | C12 | C11 | 0.1° | 0.4° |
| C8 | C13 | C12 | H13 | 180.0° | 179.6° |
| C8 | C13 | C12 | H12 | 179.9° | 179.8° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C9 | C8 | C13 | C12 | 0.2° | 0.4° |
| C9 | C8 | C13 | H13 | 179.8° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C14 | 179.8° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| H9 | C9 | C10 | C11 | 180.0° | 180.0° |
| H9 | C9 | C10 | H10 | 0.0° | 0.1° |
| C10 | C11 | C14 | C12 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.2° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| C10 | C11 | C14 | C15 | 179.9° | 0.0° |
| C10 | C11 | C14 | C22 | 0.0° | 180.0° |
| H10 | C10 | C11 | C14 | 0.2° | 0.0° |
| H10 | C10 | C11 | C12 | 179.9° | 180.0° |
| C14 | C11 | C12 | C13 | 179.8° | 179.8° |
| C14 | C11 | C12 | H12 | 0.2° | 0.0° |
| C11 | C14 | C15 | C22 | 179.9° | 180.0° |
| C11 | C14 | C15 | C16 | 180.0° | 180.0° |
| C11 | C14 | C15 | H15 | 0.0° | 0.0° |
| C11 | C14 | C22 | C21 | 179.8° | 180.0° |
| C11 | C14 | C22 | H22 | 0.1° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C11 | C14 | C15 | 0.0° | 180.0° |
| C12 | C11 | C14 | C22 | 179.9° | 0.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C14 | C15 | C16 | H16 | 180.0° | 179.9° |
| C15 | C14 | C22 | C21 | 0.3° | 0.1° |
| C15 | C14 | C22 | H22 | 179.8° | 179.9° |
| C22 | C14 | C15 | C16 | 0.2° | 0.0° |
| C22 | C14 | C15 | H15 | 179.8° | 180.0° |
| C14 | C22 | C21 | C17 | 0.2° | 0.1° |
| C14 | C22 | C21 | C20 | 179.7° | 179.9° |
| C14 | C22 | C21 | H22 | 180.0° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 180.0° | 180.0° |
| C15 | C16 | C17 | C21 | 0.0° | 0.1° |
| H15 | C15 | C16 | C17 | 180.0° | 180.0° |
| H15 | C15 | C16 | H16 | 0.0° | 0.1° |
| C16 | C17 | C18 | C21 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 0.0° | 0.1° |
| C16 | C17 | C21 | C20 | 179.8° | 180.0° |
| C16 | C17 | C21 | C22 | 0.1° | 0.1° |
| H16 | C16 | C17 | C18 | 0.0° | 0.1° |
| H16 | C16 | C17 | C21 | 180.0° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C23 | 179.6° | 180.0° |
| C18 | C17 | C21 | C20 | 0.2° | 0.1° |
| C18 | C17 | C21 | C22 | 179.9° | 179.9° |
| C21 | C17 | C18 | C19 | 0.0° | 0.1° |
| C21 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C21 | C20 | C22 | 179.9° | 179.9° |
| C17 | C21 | C20 | H20 | 179.6° | 180.0° |
| C17 | C21 | C22 | H22 | 179.8° | 180.0° |
| H18 | C18 | C19 | C23 | 0.4° | 0.0° |
| C20 | C21 | C22 | H22 | 0.3° | 0.2° |
| H20 | C20 | C21 | C22 | 0.3° | 0.1° |
| C24 | C25 | CL1 | C26 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.1° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C25 | C24 | C29 | C28 | 0.1° | 0.5° |
| C25 | C24 | C29 | CL2 | 179.7° | 179.7° |
| C24 | C25 | CL1 | HL1 | 90.0° | 90.0° |
| C24 | C25 | CL1 | HL1A | 150.0° | 150.0° |
| C24 | C25 | CL1 | HL1B | 30.0° | 30.0° |
| C29 | C24 | C25 | CL1 | 179.9° | 179.8° |
| C29 | C24 | C25 | C26 | 0.1° | 0.2° |
| C24 | C29 | C28 | C27 | 0.0° | 0.5° |
| C24 | C29 | C28 | CL2 | 179.6° | 179.8° |
| C24 | C29 | C28 | H28 | 179.9° | 179.7° |
| C24 | C29 | CL2 | HL2 | 89.8° | 95.4° |
| C24 | C29 | CL2 | HL2A | 150.2° | 144.6° |
| C24 | C29 | CL2 | HL2B | 30.2° | 24.6° |
| CL1 | C25 | C26 | C27 | 180.0° | 179.9° |
| CL1 | C25 | C26 | H26 | 0.0° | 0.0° |
| C25 | CL1 | HL1 | HL1A | 120.0° | 120.0° |
| C25 | CL1 | HL1 | HL1B | 120.0° | 120.0° |
| C25 | CL1 | HL1A | HL1B | 120.0° | 120.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.1° | 0.1° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C25 | CL1 | HL1 | 90.0° | 90.0° |
| C26 | C25 | CL1 | HL1A | 30.0° | 30.0° |
| C26 | C25 | CL1 | HL1B | 150.0° | 150.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.1° | 0.2° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| H26 | C26 | C27 | C28 | 179.9° | 180.0° |
| H26 | C26 | C27 | H27 | 0.1° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 179.8° |
| C27 | C28 | C29 | CL2 | 179.7° | 179.7° |
| H27 | C27 | C28 | C29 | 179.9° | 179.7° |
| H27 | C27 | C28 | H28 | 0.1° | 0.1° |
| C28 | C29 | CL2 | HL2 | 89.8° | 84.4° |
| C28 | C29 | CL2 | HL2A | 30.2° | 35.6° |
| C28 | C29 | CL2 | HL2B | 150.2° | 155.7° |
| H28 | C28 | C29 | CL2 | 0.3° | 0.1° |
| C29 | CL2 | HL2 | HL2A | 120.0° | 120.0° |
| C29 | CL2 | HL2 | HL2B | 120.0° | 120.0° |
| C29 | CL2 | HL2A | HL2B | 120.0° | 120.1° |
| HL1 | CL1 | HL1A | HL1B | 119.9° | 120.0° |
| HL2 | CL2 | HL2A | HL2B | 120.0° | 119.9° |
