79B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | doub | 1.36Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C28 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.36Å | 1.39Å | Aromatic |
| C27 | N26 | doub | 1.34Å | 1.34Å | Aromatic |
| C27 | C32 | sing | 1.42Å | 1.40Å | Aromatic |
| N26 | C25 | sing | 1.32Å | 1.36Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.41Å | Aromatic |
| C32 | C23 | doub | 1.42Å | 1.40Å | Aromatic |
| C25 | C33 | sing | 1.48Å | 1.49Å | |
| C25 | N24 | doub | 1.33Å | 1.34Å | Aromatic |
| C33 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | N37 | doub | 1.32Å | 1.34Å | Aromatic |
| C38 | N37 | sing | 1.32Å | 1.35Å | Aromatic |
| C23 | N24 | sing | 1.32Å | 1.36Å | Aromatic |
| C23 | N22 | sing | 1.38Å | 1.40Å | |
| N22 | C18 | sing | 1.47Å | 1.49Å | |
| C18 | C19 | sing | 1.54Å | 1.54Å | |
| C18 | C17 | sing | 1.54Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | sing | 1.51Å | 1.49Å | |
| C20 | C16 | doub | 1.38Å | 1.36Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C21 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.43Å | 1.28Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | trip | 1.17Å | 1.18Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| N22 | H21 | sing | 0.97Å | 1.00Å | |
| C30 | H22 | sing | 1.08Å | 1.08Å | |
| C31 | H23 | sing | 1.08Å | 1.08Å | |
| C34 | H24 | sing | 1.08Å | 1.08Å | |
| C35 | H25 | sing | 1.08Å | 1.08Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| C38 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C10 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.08Å | 1.08Å | |
| C29 | H33 | sing | 1.08Å | 1.08Å | |
| C28 | H34 | sing | 1.08Å | 1.08Å | |
| C2 | O2 | sing | 1.34Å | 1.34Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C29 | C30 | 120.3° | 121.0° |
| C29 | C28 | C27 | 120.0° | 119.6° |
| C28 | C29 | H33 | 119.9° | 119.5° |
| C29 | C28 | H34 | 120.0° | 120.2° |
| C29 | C30 | C31 | 119.2° | 120.9° |
| C29 | C30 | H22 | 120.4° | 119.6° |
| C30 | C29 | H33 | 119.9° | 119.5° |
| C28 | C27 | N26 | 119.5° | 121.9° |
| C28 | C27 | C32 | 120.8° | 119.3° |
| C27 | C28 | H34 | 120.0° | 120.2° |
| C30 | C31 | C32 | 121.2° | 119.5° |
| C31 | C30 | H22 | 120.4° | 119.5° |
| C30 | C31 | H23 | 119.4° | 120.3° |
| N26 | C27 | C32 | 119.7° | 118.8° |
| C27 | N26 | C25 | 122.1° | 120.5° |
| C27 | C32 | C31 | 118.5° | 119.7° |
| C27 | C32 | C23 | 117.5° | 118.3° |
| N26 | C25 | C33 | 119.5° | 118.7° |
| N26 | C25 | N24 | 119.3° | 122.7° |
| C35 | C34 | C33 | 119.1° | 118.3° |
| C34 | C35 | C36 | 119.7° | 119.3° |
| C35 | C34 | H24 | 120.5° | 120.9° |
| C34 | C35 | H25 | 120.2° | 120.4° |
| C34 | C33 | C25 | 121.3° | 120.6° |
| C34 | C33 | C38 | 119.1° | 118.9° |
| C33 | C34 | H24 | 120.4° | 120.8° |
| C35 | C36 | N37 | 120.5° | 121.0° |
| C36 | C35 | H25 | 120.1° | 120.4° |
| C35 | C36 | H26 | 119.7° | 119.5° |
| C31 | C32 | C23 | 123.9° | 122.0° |
| C32 | C31 | H23 | 119.4° | 120.2° |
| C32 | C23 | N24 | 119.9° | 118.3° |
| C32 | C23 | N22 | 120.2° | 120.8° |
| C33 | C25 | N24 | 121.1° | 118.6° |
| C25 | C33 | C38 | 119.4° | 120.5° |
| C25 | N24 | C23 | 121.4° | 121.4° |
| C33 | C38 | N37 | 120.7° | 120.6° |
| C33 | C38 | H27 | 119.7° | 119.7° |
| C36 | N37 | C38 | 120.9° | 121.9° |
| N37 | C36 | H26 | 119.8° | 119.5° |
| N37 | C38 | H27 | 119.7° | 119.7° |
| N24 | C23 | N22 | 119.9° | 120.9° |
| C23 | N22 | C18 | 115.8° | 120.0° |
| C23 | N22 | H21 | 107.9° | 120.0° |
| N22 | C18 | C19 | 114.8° | 110.8° |
| N22 | C18 | C17 | 109.2° | 110.8° |
| N22 | C18 | H17 | 109.5° | 110.8° |
| C18 | N22 | H21 | 107.9° | 120.0° |
| C19 | C18 | C17 | 105.5° | 102.4° |
| C18 | C19 | C20 | 101.7° | 105.2° |
| C19 | C18 | H17 | 108.8° | 110.8° |
| C18 | C19 | H18 | 111.3° | 110.3° |
| C18 | C19 | H19 | 111.4° | 110.3° |
| C18 | C17 | C16 | 101.6° | 105.2° |
| C18 | C17 | H15 | 111.4° | 110.3° |
| C18 | C17 | H16 | 111.4° | 110.4° |
| C17 | C18 | H17 | 108.9° | 110.8° |
| C19 | C20 | C16 | 110.4° | 109.7° |
| C19 | C20 | C21 | 128.7° | 130.2° |
| C20 | C19 | H18 | 111.4° | 110.3° |
| C20 | C19 | H19 | 111.4° | 110.3° |
| C17 | C16 | C20 | 112.2° | 109.7° |
| C17 | C16 | C15 | 125.5° | 130.2° |
| C16 | C17 | H15 | 111.4° | 110.3° |
| C16 | C17 | H16 | 111.4° | 110.3° |
| C16 | C20 | C21 | 120.9° | 120.0° |
| C20 | C16 | C15 | 122.3° | 120.1° |
| C20 | C21 | C13 | 117.3° | 120.1° |
| C20 | C21 | H20 | 121.3° | 120.0° |
| C16 | C15 | C14 | 118.5° | 120.4° |
| C16 | C15 | H14 | 120.8° | 119.8° |
| O1 | C2 | C3 | 120.3° | 120.0° |
| O1 | C2 | O2 | 122.4° | 120.0° |
| C21 | C13 | C14 | 121.1° | 119.6° |
| C21 | C13 | C12 | 124.9° | 120.2° |
| C13 | C21 | H20 | 121.4° | 119.9° |
| C2 | C3 | C4 | 115.0° | 109.5° |
| C2 | C3 | H2 | 108.1° | 109.5° |
| C2 | C3 | H3 | 108.1° | 109.5° |
| C3 | C2 | O2 | 117.3° | 120.0° |
| C15 | C14 | C13 | 120.0° | 119.8° |
| C14 | C15 | H14 | 120.7° | 119.9° |
| C15 | C14 | H32 | 120.0° | 120.1° |
| C3 | C4 | C5 | 111.3° | 109.5° |
| C4 | C3 | H2 | 108.1° | 109.5° |
| C4 | C3 | H3 | 108.1° | 109.5° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| C3 | C4 | H5 | 109.0° | 109.4° |
| C14 | C13 | C12 | 114.0° | 120.2° |
| C13 | C14 | H32 | 120.1° | 120.1° |
| C13 | C12 | C11 | 171.0° | 180.0° |
| C4 | C5 | C6 | 111.0° | 109.5° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C5 | C4 | H5 | 109.0° | 109.5° |
| C4 | C5 | H6 | 109.1° | 109.5° |
| C4 | C5 | H7 | 109.1° | 109.4° |
| C12 | C11 | C10 | 173.5° | 180.0° |
| C5 | C6 | C7 | 111.9° | 109.5° |
| C6 | C5 | H6 | 109.1° | 109.4° |
| C6 | C5 | H7 | 109.1° | 109.5° |
| C5 | C6 | H8 | 108.8° | 109.5° |
| C5 | C6 | H9 | 108.9° | 109.5° |
| C6 | C7 | C8 | 106.8° | 109.5° |
| C7 | C6 | H8 | 108.9° | 109.5° |
| C7 | C6 | H9 | 108.8° | 109.5° |
| C6 | C7 | H10 | 110.1° | 109.4° |
| C6 | C7 | H11 | 110.1° | 109.5° |
| C11 | C10 | C9 | 112.4° | 109.5° |
| C11 | C10 | H30 | 108.7° | 109.4° |
| C11 | C10 | H31 | 108.7° | 109.5° |
| C7 | C8 | C9 | 111.7° | 109.5° |
| C8 | C7 | H10 | 110.1° | 109.4° |
| C8 | C7 | H11 | 110.1° | 109.5° |
| C7 | C8 | H12 | 108.9° | 109.5° |
| C7 | C8 | H13 | 108.9° | 109.5° |
| C8 | C9 | C10 | 113.0° | 109.5° |
| C9 | C8 | H12 | 108.9° | 109.5° |
| C9 | C8 | H13 | 108.9° | 109.4° |
| C8 | C9 | H28 | 108.6° | 109.5° |
| C8 | C9 | H29 | 108.6° | 109.5° |
| C10 | C9 | H28 | 108.6° | 109.5° |
| C10 | C9 | H29 | 108.6° | 109.5° |
| C9 | C10 | H30 | 108.7° | 109.5° |
| C9 | C10 | H31 | 108.7° | 109.4° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.4° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.4° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.4° | 109.5° |
| H15 | C17 | H16 | 109.4° | 110.3° |
| H18 | C19 | H19 | 109.5° | 110.3° |
| H28 | C9 | H29 | 109.5° | 109.4° |
| H30 | C10 | H31 | 109.5° | 109.5° |
| C2 | O2 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C29 | C30 | H33 | 180.0° | 179.9° |
| C29 | C28 | C27 | H34 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.8° | 0.3° |
| C29 | C28 | C27 | N26 | 179.1° | 180.0° |
| C29 | C28 | C27 | C32 | 0.2° | 0.2° |
| C28 | C29 | C30 | H22 | 179.2° | 180.0° |
| C30 | C29 | C28 | C27 | 1.0° | 0.1° |
| C29 | C30 | C31 | H22 | 180.0° | 179.7° |
| C29 | C30 | C31 | C32 | 0.1° | 0.3° |
| C29 | C30 | C31 | H23 | 179.9° | 179.7° |
| C30 | C29 | C28 | H34 | 179.1° | 180.0° |
| C28 | C27 | N26 | C32 | 179.3° | 179.7° |
| C28 | C27 | N26 | C25 | 179.5° | 180.0° |
| C28 | C27 | C32 | C31 | 0.7° | 0.3° |
| C28 | C27 | C32 | C23 | 179.7° | 179.8° |
| C27 | C28 | C29 | H33 | 179.0° | 180.0° |
| C30 | C31 | C32 | C27 | 0.9° | 0.0° |
| C30 | C31 | C32 | H23 | 180.0° | 179.9° |
| C30 | C31 | C32 | C23 | 179.5° | 180.0° |
| C31 | C30 | C29 | H33 | 179.2° | 179.7° |
| N26 | C27 | C32 | C31 | 179.9° | 180.0° |
| N26 | C27 | C32 | C23 | 0.3° | 0.0° |
| C27 | N26 | C25 | C33 | 177.7° | 180.0° |
| C27 | N26 | C25 | N24 | 1.8° | 0.6° |
| N26 | C27 | C28 | H34 | 0.8° | 0.1° |
| C32 | C27 | N26 | C25 | 1.1° | 0.3° |
| C27 | C32 | C31 | C23 | 179.6° | 179.9° |
| C27 | C32 | C23 | N24 | 0.2° | 0.1° |
| C27 | C32 | C23 | N22 | 179.9° | 179.7° |
| C27 | C32 | C31 | H23 | 179.1° | 180.0° |
| C32 | C27 | C28 | H34 | 179.9° | 179.7° |
| N26 | C25 | C33 | C34 | 25.7° | 0.3° |
| N26 | C25 | C33 | N24 | 175.8° | 179.4° |
| N26 | C25 | C33 | C38 | 149.0° | 180.0° |
| N26 | C25 | N24 | C23 | 1.7° | 0.7° |
| C35 | C34 | C33 | H24 | 180.0° | 180.0° |
| C34 | C35 | C36 | H25 | 180.0° | 180.0° |
| C35 | C34 | C33 | C25 | 177.3° | 179.7° |
| C35 | C34 | C33 | C38 | 2.6° | 0.0° |
| C34 | C35 | C36 | N37 | 0.5° | 0.0° |
| C34 | C35 | C36 | H26 | 179.5° | 180.0° |
| C33 | C34 | C35 | C36 | 1.1° | 0.0° |
| C34 | C33 | C25 | C38 | 174.7° | 179.7° |
| C34 | C33 | C25 | N24 | 158.5° | 179.1° |
| C34 | C33 | C38 | N37 | 2.4° | 0.0° |
| C33 | C34 | C35 | H25 | 178.8° | 180.0° |
| C34 | C33 | C38 | H27 | 177.6° | 180.0° |
| C35 | C36 | N37 | H26 | 180.0° | 180.0° |
| C35 | C36 | N37 | C38 | 0.7° | 0.0° |
| C36 | C35 | C34 | H24 | 178.8° | 180.0° |
| C31 | C32 | C23 | N24 | 179.8° | 180.0° |
| C31 | C32 | C23 | N22 | 0.3° | 0.4° |
| C32 | C31 | C30 | H22 | 179.8° | 180.0° |
| C32 | C23 | N24 | C25 | 0.9° | 0.4° |
| C32 | C23 | N24 | N22 | 179.9° | 179.6° |
| C32 | C23 | N22 | C18 | 176.8° | 179.7° |
| C32 | C23 | N22 | H21 | 62.3° | 0.4° |
| C23 | C32 | C31 | H23 | 0.5° | 0.1° |
| C25 | C33 | C38 | N37 | 177.2° | 179.7° |
| C33 | C25 | N24 | C23 | 177.5° | 179.9° |
| C25 | C33 | C34 | H24 | 2.7° | 0.3° |
| C25 | C33 | C38 | H27 | 2.8° | 0.3° |
| N24 | C25 | C33 | C38 | 26.8° | 0.6° |
| C25 | N24 | C23 | N22 | 179.2° | 180.0° |
| C33 | C38 | N37 | C36 | 0.8° | 0.0° |
| C33 | C38 | N37 | H27 | 180.0° | 180.0° |
| C38 | C33 | C34 | H24 | 177.4° | 180.0° |
| N37 | C36 | C35 | H25 | 179.5° | 180.0° |
| C36 | N37 | C38 | H27 | 179.2° | 180.0° |
| C38 | N37 | C36 | H26 | 179.3° | 180.0° |
| N24 | C23 | N22 | C18 | 3.4° | 0.1° |
| N24 | C23 | N22 | H21 | 117.6° | 180.0° |
| C23 | N22 | C18 | H21 | 121.0° | 179.9° |
| C23 | N22 | C18 | C19 | 112.7° | 155.0° |
| C23 | N22 | C18 | C17 | 129.1° | 91.9° |
| C23 | N22 | C18 | H17 | 9.9° | 31.5° |
| N22 | C18 | C19 | C17 | 120.3° | 118.2° |
| N22 | C18 | C19 | H17 | 123.0° | 123.5° |
| N22 | C18 | C17 | H17 | 119.5° | 123.5° |
| N22 | C18 | C19 | C20 | 148.3° | 144.7° |
| N22 | C18 | C17 | C16 | 151.7° | 144.7° |
| N22 | C18 | C17 | H15 | 32.9° | 96.4° |
| N22 | C18 | C17 | H16 | 89.6° | 25.8° |
| N22 | C18 | C19 | H18 | 92.9° | 96.4° |
| N22 | C18 | C19 | H19 | 29.6° | 25.7° |
| C19 | C18 | C17 | H17 | 116.6° | 118.3° |
| C18 | C19 | C20 | H18 | 118.7° | 118.9° |
| C18 | C19 | C20 | H19 | 118.7° | 119.0° |
| C19 | C18 | C17 | C16 | 27.8° | 26.4° |
| C18 | C19 | C20 | C16 | 17.9° | 17.3° |
| C18 | C19 | C20 | C21 | 161.7° | 162.8° |
| C19 | C18 | C17 | H15 | 91.0° | 145.4° |
| C19 | C18 | C17 | H16 | 146.5° | 92.5° |
| C18 | C19 | H18 | H19 | 123.6° | 122.1° |
| C19 | C18 | N22 | H21 | 8.2° | 25.0° |
| C17 | C18 | C19 | C20 | 28.0° | 26.4° |
| C18 | C17 | C16 | H15 | 118.8° | 119.0° |
| C18 | C17 | C16 | H16 | 118.7° | 119.0° |
| C18 | C17 | C16 | C20 | 17.5° | 17.2° |
| C18 | C17 | C16 | C15 | 160.8° | 162.8° |
| C18 | C17 | H15 | H16 | 123.6° | 122.2° |
| C17 | C18 | C19 | H18 | 146.8° | 145.4° |
| C17 | C18 | C19 | H19 | 90.7° | 92.5° |
| C17 | C18 | N22 | H21 | 110.0° | 88.0° |
| C19 | C20 | C16 | C17 | 0.3° | 0.1° |
| C19 | C20 | C16 | C21 | 179.6° | 179.9° |
| C19 | C20 | C16 | C15 | 178.7° | 180.0° |
| C19 | C20 | C21 | C13 | 179.5° | 179.8° |
| C20 | C19 | C18 | H17 | 88.6° | 91.8° |
| C20 | C19 | H18 | H19 | 123.6° | 122.1° |
| C19 | C20 | C21 | H20 | 0.5° | 0.3° |
| C17 | C16 | C20 | C15 | 178.4° | 180.0° |
| C17 | C16 | C20 | C21 | 179.3° | 180.0° |
| C17 | C16 | C15 | C14 | 179.1° | 180.0° |
| C17 | C16 | C15 | H14 | 0.9° | 0.3° |
| C16 | C17 | H15 | H16 | 123.7° | 122.0° |
| C16 | C17 | C18 | H17 | 88.9° | 91.8° |
| C16 | C20 | C21 | C13 | 0.0° | 0.3° |
| C20 | C16 | C15 | C14 | 1.0° | 0.0° |
| C20 | C16 | C15 | H14 | 179.0° | 179.8° |
| C20 | C16 | C17 | H15 | 101.3° | 136.1° |
| C20 | C16 | C17 | H16 | 136.2° | 101.8° |
| C16 | C20 | C19 | H18 | 136.6° | 136.2° |
| C16 | C20 | C19 | H19 | 100.8° | 101.7° |
| C16 | C20 | C21 | H20 | 180.0° | 179.8° |
| C21 | C20 | C16 | C15 | 0.9° | 0.1° |
| C20 | C21 | C13 | H20 | 180.0° | 179.5° |
| C20 | C21 | C13 | C14 | 0.8° | 0.6° |
| C20 | C21 | C13 | C12 | 179.4° | 179.4° |
| C21 | C20 | C19 | H18 | 42.9° | 43.9° |
| C21 | C20 | C19 | H19 | 79.6° | 78.2° |
| C16 | C15 | C14 | H14 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.2° | 0.3° |
| C15 | C16 | C17 | H15 | 80.4° | 43.8° |
| C15 | C16 | C17 | H16 | 42.1° | 78.2° |
| C16 | C15 | C14 | H32 | 179.8° | 179.7° |
| O1 | C2 | C3 | O2 | 178.8° | 179.7° |
| O1 | C2 | C3 | C4 | 50.9° | 0.3° |
| O1 | C2 | C3 | H2 | 69.9° | 120.2° |
| O1 | C2 | C3 | H3 | 171.7° | 119.7° |
| O1 | C2 | O2 | H1 | 0.0° | 0.3° |
| C21 | C13 | C14 | C15 | 0.7° | 0.5° |
| C21 | C13 | C14 | C12 | 179.9° | 180.0° |
| C21 | C13 | C12 | C11 | 94.5° | 27.9° |
| C21 | C13 | C14 | H32 | 179.3° | 179.5° |
| C2 | C3 | C4 | H2 | 120.8° | 120.0° |
| C2 | C3 | C4 | H3 | 120.8° | 120.0° |
| C2 | C3 | C4 | C5 | 80.3° | 180.0° |
| C2 | C3 | H2 | H3 | 117.5° | 120.0° |
| C2 | C3 | C4 | H4 | 40.0° | 60.0° |
| C2 | C3 | C4 | H5 | 159.4° | 60.0° |
| C3 | C2 | O2 | H1 | 178.7° | 180.0° |
| C15 | C14 | C13 | H32 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 179.5° | 179.5° |
| C3 | C4 | C5 | H4 | 120.3° | 120.0° |
| C3 | C4 | C5 | H5 | 120.3° | 120.0° |
| C3 | C4 | C5 | C6 | 97.2° | 180.0° |
| C4 | C3 | H2 | H3 | 117.5° | 120.0° |
| C3 | C4 | H4 | H5 | 119.1° | 120.0° |
| C3 | C4 | C5 | H6 | 142.6° | 60.0° |
| C3 | C4 | C5 | H7 | 23.0° | 60.1° |
| C4 | C3 | C2 | O2 | 130.4° | 179.9° |
| C14 | C13 | C12 | C11 | 85.3° | 152.1° |
| C13 | C14 | C15 | H14 | 179.8° | 180.0° |
| C14 | C13 | C21 | H20 | 179.2° | 180.0° |
| C13 | C12 | C11 | C10 | 84.5° | 156.2° |
| C12 | C13 | C21 | H20 | 0.6° | 0.0° |
| C12 | C13 | C14 | H32 | 0.5° | 0.5° |
| C4 | C5 | C6 | H6 | 120.2° | 120.0° |
| C4 | C5 | C6 | H7 | 120.2° | 120.0° |
| C4 | C5 | C6 | C7 | 143.5° | 180.0° |
| C5 | C4 | C3 | H2 | 158.9° | 60.0° |
| C5 | C4 | C3 | H3 | 40.5° | 60.1° |
| C5 | C4 | H4 | H5 | 119.2° | 120.0° |
| C4 | C5 | H6 | H7 | 119.3° | 120.0° |
| C4 | C5 | C6 | H8 | 23.1° | 60.0° |
| C4 | C5 | C6 | H9 | 96.2° | 60.0° |
| C12 | C11 | C10 | C9 | 112.8° | 4.1° |
| C12 | C11 | C10 | H30 | 7.6° | 115.9° |
| C12 | C11 | C10 | H31 | 126.8° | 124.1° |
| C5 | C6 | C7 | H8 | 120.4° | 120.0° |
| C5 | C6 | C7 | H9 | 120.4° | 120.0° |
| C5 | C6 | C7 | C8 | 174.7° | 180.0° |
| C6 | C5 | C4 | H4 | 23.1° | 60.0° |
| C6 | C5 | C4 | H5 | 142.5° | 60.0° |
| C6 | C5 | H6 | H7 | 119.3° | 120.0° |
| C5 | C6 | H8 | H9 | 118.9° | 120.0° |
| C5 | C6 | C7 | H10 | 55.2° | 60.0° |
| C5 | C6 | C7 | H11 | 65.7° | 60.0° |
| C6 | C7 | C8 | H10 | 119.6° | 120.0° |
| C6 | C7 | C8 | H11 | 119.6° | 120.0° |
| C6 | C7 | C8 | C9 | 167.2° | 180.0° |
| C7 | C6 | C5 | H6 | 96.3° | 60.0° |
| C7 | C6 | C5 | H7 | 23.3° | 60.0° |
| C7 | C6 | H8 | H9 | 118.9° | 120.0° |
| C6 | C7 | H10 | H11 | 121.3° | 120.0° |
| C6 | C7 | C8 | H12 | 46.9° | 60.0° |
| C6 | C7 | C8 | H13 | 72.4° | 60.0° |
| C11 | C10 | C9 | C8 | 74.0° | 180.0° |
| C11 | C10 | C9 | H30 | 120.4° | 120.0° |
| C11 | C10 | C9 | H31 | 120.4° | 120.0° |
| C11 | C10 | C9 | H28 | 165.4° | 60.0° |
| C11 | C10 | C9 | H29 | 46.5° | 59.9° |
| C11 | C10 | H30 | H31 | 118.7° | 120.0° |
| C7 | C8 | C9 | H12 | 120.4° | 120.0° |
| C7 | C8 | C9 | H13 | 120.4° | 120.0° |
| C7 | C8 | C9 | C10 | 149.7° | 180.0° |
| C8 | C7 | C6 | H8 | 64.9° | 60.0° |
| C8 | C7 | C6 | H9 | 54.3° | 60.0° |
| C8 | C7 | H10 | H11 | 121.2° | 120.0° |
| C7 | C8 | H12 | H13 | 119.0° | 120.0° |
| C7 | C8 | C9 | H28 | 89.8° | 60.0° |
| C7 | C8 | C9 | H29 | 29.1° | 59.9° |
| C8 | C9 | C10 | H28 | 120.5° | 120.0° |
| C8 | C9 | C10 | H29 | 120.5° | 120.1° |
| C9 | C8 | C7 | H10 | 73.2° | 60.0° |
| C9 | C8 | C7 | H11 | 47.6° | 60.0° |
| C9 | C8 | H12 | H13 | 118.9° | 119.9° |
| C8 | C9 | H28 | H29 | 118.4° | 120.0° |
| C8 | C9 | C10 | H30 | 165.5° | 60.0° |
| C8 | C9 | C10 | H31 | 46.4° | 60.0° |
| C10 | C9 | C8 | H12 | 29.3° | 60.0° |
| C10 | C9 | C8 | H13 | 90.0° | 60.0° |
| C10 | C9 | H28 | H29 | 118.4° | 120.0° |
| C9 | C10 | H30 | H31 | 118.7° | 120.0° |
| H2 | C3 | C4 | H4 | 80.8° | 180.0° |
| H2 | C3 | C4 | H5 | 38.6° | 60.0° |
| H2 | C3 | C2 | O2 | 108.9° | 60.1° |
| H3 | C3 | C4 | H4 | 160.8° | 60.0° |
| H3 | C3 | C4 | H5 | 79.7° | 179.9° |
| H3 | C3 | C2 | O2 | 9.5° | 60.0° |
| H4 | C4 | C5 | H6 | 97.1° | 179.9° |
| H4 | C4 | C5 | H7 | 143.3° | 60.0° |
| H5 | C4 | C5 | H6 | 22.3° | 60.0° |
| H5 | C4 | C5 | H7 | 97.3° | 180.0° |
| H6 | C5 | C6 | H8 | 143.3° | 180.0° |
| H6 | C5 | C6 | H9 | 24.0° | 60.0° |
| H7 | C5 | C6 | H8 | 97.1° | 60.0° |
| H7 | C5 | C6 | H9 | 143.6° | 179.9° |
| H8 | C6 | C7 | H10 | 175.5° | 179.9° |
| H8 | C6 | C7 | H11 | 54.7° | 60.0° |
| H9 | C6 | C7 | H10 | 65.2° | 60.0° |
| H9 | C6 | C7 | H11 | 173.9° | 180.0° |
| H10 | C7 | C8 | H12 | 166.4° | 180.0° |
| H10 | C7 | C8 | H13 | 47.1° | 60.0° |
| H11 | C7 | C8 | H12 | 72.7° | 60.0° |
| H11 | C7 | C8 | H13 | 168.0° | 180.0° |
| H12 | C8 | C9 | H28 | 149.8° | 180.0° |
| H12 | C8 | C9 | H29 | 91.2° | 60.1° |
| H13 | C8 | C9 | H28 | 30.6° | 60.1° |
| H13 | C8 | C9 | H29 | 149.5° | 180.0° |
| H14 | C15 | C14 | H32 | 0.2° | 0.0° |
| H15 | C17 | C18 | H17 | 152.4° | 27.1° |
| H16 | C17 | C18 | H17 | 29.9° | 149.2° |
| H17 | C18 | C19 | H18 | 30.1° | 27.1° |
| H17 | C18 | C19 | H19 | 152.6° | 149.2° |
| H17 | C18 | N22 | H21 | 130.9° | 148.5° |
| H22 | C30 | C31 | H23 | 0.2° | 0.0° |
| H22 | C30 | C29 | H33 | 0.8° | 0.0° |
| H24 | C34 | C35 | H25 | 1.2° | 0.0° |
| H25 | C35 | C36 | H26 | 0.5° | 0.0° |
| H28 | C9 | C10 | H30 | 45.0° | 60.0° |
| H28 | C9 | C10 | H31 | 74.1° | 180.0° |
| H29 | C9 | C10 | H30 | 74.0° | 179.9° |
| H29 | C9 | C10 | H31 | 166.9° | 60.1° |
| H33 | C29 | C28 | H34 | 0.9° | 0.1° |
