A1H48
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N37 | C36 | doub | 1.32Å | 1.33Å | Aromatic |
| N37 | C38 | sing | 1.32Å | 1.32Å | Aromatic |
| C36 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| O35 | C34 | sing | 1.36Å | 1.37Å | |
| C34 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C38 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| C13 | N12 | sing | 1.46Å | 1.44Å | |
| N27 | C26 | sing | 1.38Å | 1.37Å | |
| C32 | C33 | sing | 1.40Å | 1.41Å | Aromatic |
| C32 | C24 | sing | 1.48Å | 1.48Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| N11 | N12 | sing | 1.28Å | 1.30Å | |
| N11 | C10 | doub | 1.30Å | 1.31Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| N12 | C2 | sing | 1.35Å | 1.35Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C26 | N28 | sing | 1.33Å | 1.34Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.46Å | 1.47Å | Aromatic |
| C24 | N23 | doub | 1.31Å | 1.33Å | Aromatic |
| C25 | C31 | sing | 1.41Å | 1.43Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.42Å | |
| N28 | C29 | doub | 1.32Å | 1.33Å | Aromatic |
| N23 | N22 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | O1 | doub | 1.22Å | 1.22Å | |
| C2 | C3 | sing | 1.41Å | 1.42Å | |
| C31 | N22 | sing | 1.36Å | 1.33Å | Aromatic |
| C31 | N30 | doub | 1.33Å | 1.33Å | Aromatic |
| C29 | N30 | sing | 1.32Å | 1.32Å | Aromatic |
| N22 | C20 | sing | 1.47Å | 1.49Å | |
| C9 | C3 | doub | 1.37Å | 1.40Å | |
| C9 | C20 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C8 | C4 | sing | 1.54Å | 1.55Å | |
| C8 | C7 | sing | 1.55Å | 1.54Å | |
| C4 | C5 | sing | 1.54Å | 1.56Å | |
| C7 | C6 | sing | 1.55Å | 1.53Å | |
| C5 | C6 | sing | 1.54Å | 1.55Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.08Å | 1.08Å | |
| C36 | H19 | sing | 1.08Å | 1.08Å | |
| C38 | H20 | sing | 1.08Å | 1.08Å | |
| C10 | H21 | sing | 1.08Å | 1.08Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| N27 | H25 | sing | 0.97Å | 1.00Å | |
| N27 | H26 | sing | 0.97Å | 1.00Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| O35 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | N37 | C38 | 122.1° | 122.0° |
| N37 | C36 | C34 | 121.4° | 120.9° |
| N37 | C36 | H19 | 119.3° | 119.5° |
| N37 | C38 | C32 | 120.5° | 120.7° |
| N37 | C38 | H20 | 119.7° | 119.7° |
| C36 | C34 | O35 | 121.7° | 120.4° |
| C36 | C34 | C33 | 118.1° | 119.2° |
| C34 | C36 | H19 | 119.3° | 119.5° |
| O35 | C34 | C33 | 120.1° | 120.4° |
| C34 | O35 | H28 | 109.5° | 114.0° |
| C34 | C33 | C32 | 119.0° | 118.3° |
| C34 | C33 | H18 | 120.5° | 120.8° |
| C38 | C32 | C33 | 118.7° | 119.0° |
| C38 | C32 | C24 | 117.6° | 120.5° |
| C32 | C38 | H20 | 119.7° | 119.6° |
| C14 | C13 | N12 | 114.0° | 109.5° |
| C13 | C14 | C15 | 118.0° | 120.0° |
| C13 | C14 | C19 | 119.9° | 120.0° |
| C14 | C13 | H22 | 108.4° | 109.4° |
| C14 | C13 | H23 | 108.3° | 109.4° |
| C13 | N12 | N11 | 117.2° | 119.2° |
| C13 | N12 | C2 | 118.9° | 119.2° |
| N12 | C13 | H22 | 108.3° | 109.5° |
| N12 | C13 | H23 | 108.3° | 109.5° |
| N27 | C26 | C25 | 122.6° | 120.8° |
| N27 | C26 | N28 | 117.9° | 120.8° |
| C26 | N27 | H25 | 109.5° | 120.0° |
| C26 | N27 | H26 | 109.4° | 120.0° |
| C33 | C32 | C24 | 123.4° | 120.5° |
| C32 | C33 | H18 | 120.5° | 120.9° |
| C32 | C24 | C25 | 134.2° | 126.3° |
| C32 | C24 | N23 | 118.7° | 126.4° |
| C15 | C14 | C19 | 122.0° | 120.0° |
| C14 | C15 | C16 | 118.5° | 120.0° |
| C14 | C15 | H10 | 120.7° | 120.0° |
| C14 | C19 | C18 | 119.8° | 120.0° |
| C14 | C19 | H14 | 120.1° | 120.1° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C16 | C15 | H10 | 120.8° | 120.0° |
| C15 | C16 | H11 | 120.0° | 120.0° |
| N12 | N11 | C10 | 120.5° | 122.5° |
| N11 | N12 | C2 | 123.9° | 121.6° |
| N11 | C10 | C9 | 121.8° | 120.5° |
| N11 | C10 | H21 | 119.1° | 119.7° |
| C19 | C18 | C17 | 118.4° | 120.0° |
| C19 | C18 | H13 | 120.8° | 120.0° |
| C18 | C19 | H14 | 120.1° | 120.0° |
| N12 | C2 | O1 | 120.0° | 120.3° |
| N12 | C2 | C3 | 118.9° | 119.3° |
| C16 | C17 | C18 | 121.4° | 120.0° |
| C17 | C16 | H11 | 120.0° | 120.0° |
| C16 | C17 | H12 | 119.3° | 120.0° |
| C25 | C26 | N28 | 119.4° | 118.3° |
| C26 | C25 | C24 | 138.8° | 135.1° |
| C26 | C25 | C31 | 116.3° | 118.6° |
| C26 | N28 | C29 | 120.9° | 121.1° |
| C18 | C17 | H12 | 119.3° | 120.0° |
| C17 | C18 | H13 | 120.8° | 120.0° |
| C25 | C24 | N23 | 107.0° | 107.4° |
| C24 | C25 | C31 | 104.9° | 106.4° |
| C24 | N23 | N22 | 110.2° | 109.9° |
| C25 | C31 | N22 | 109.1° | 106.9° |
| C25 | C31 | N30 | 120.3° | 118.6° |
| C10 | C9 | C3 | 117.7° | 118.3° |
| C10 | C9 | C20 | 116.0° | 120.9° |
| C9 | C10 | H21 | 119.1° | 119.8° |
| N28 | C29 | N30 | 122.9° | 122.7° |
| N28 | C29 | H27 | 118.6° | 118.6° |
| N23 | N22 | C31 | 108.8° | 109.4° |
| N23 | N22 | C20 | 128.4° | 125.3° |
| O1 | C2 | C3 | 121.1° | 120.4° |
| C2 | C3 | C9 | 117.3° | 117.8° |
| C2 | C3 | C4 | 118.4° | 121.1° |
| N22 | C31 | N30 | 130.6° | 134.5° |
| C31 | N22 | C20 | 122.8° | 125.3° |
| C31 | N30 | C29 | 120.2° | 120.6° |
| N30 | C29 | H27 | 118.5° | 118.6° |
| N22 | C20 | C9 | 111.0° | 109.5° |
| N22 | C20 | C21 | 109.3° | 109.5° |
| N22 | C20 | H24 | 109.9° | 109.5° |
| C3 | C9 | C20 | 126.3° | 120.8° |
| C9 | C3 | C4 | 124.3° | 121.1° |
| C9 | C20 | C21 | 107.8° | 109.5° |
| C9 | C20 | H24 | 109.5° | 109.5° |
| C3 | C4 | C8 | 112.5° | 110.0° |
| C3 | C4 | C5 | 112.7° | 110.1° |
| C3 | C4 | H1 | 108.7° | 110.0° |
| C20 | C21 | H15 | 109.5° | 109.5° |
| C20 | C21 | H16 | 109.5° | 109.5° |
| C20 | C21 | H17 | 109.5° | 109.4° |
| C21 | C20 | H24 | 109.3° | 109.5° |
| C4 | C8 | C7 | 106.3° | 104.2° |
| C8 | C4 | C5 | 106.8° | 106.6° |
| C8 | C4 | H1 | 108.1° | 110.0° |
| C4 | C8 | H8 | 110.3° | 110.5° |
| C4 | C8 | H9 | 110.3° | 110.5° |
| C8 | C7 | C6 | 105.5° | 102.7° |
| C8 | C7 | H6 | 110.4° | 110.8° |
| C8 | C7 | H7 | 110.4° | 110.9° |
| C7 | C8 | H8 | 110.2° | 110.6° |
| C7 | C8 | H9 | 110.3° | 110.5° |
| C4 | C5 | C6 | 101.0° | 106.6° |
| C5 | C4 | H1 | 108.0° | 110.0° |
| C4 | C5 | H2 | 111.5° | 110.0° |
| C4 | C5 | H3 | 111.5° | 110.0° |
| C7 | C6 | C5 | 106.1° | 104.2° |
| C7 | C6 | H4 | 110.3° | 110.5° |
| C7 | C6 | H5 | 110.3° | 110.6° |
| C6 | C7 | H6 | 110.5° | 110.8° |
| C6 | C7 | H7 | 110.5° | 110.7° |
| C6 | C5 | H2 | 111.5° | 110.0° |
| C6 | C5 | H3 | 111.5° | 110.1° |
| C5 | C6 | H4 | 110.3° | 110.5° |
| C5 | C6 | H5 | 110.3° | 110.5° |
| H2 | C5 | H3 | 109.5° | 110.0° |
| H4 | C6 | H5 | 109.5° | 110.4° |
| H6 | C7 | H7 | 109.5° | 110.7° |
| H8 | C8 | H9 | 109.4° | 110.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| H25 | N27 | H26 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N37 | C36 | C34 | H19 | 180.0° | 180.0° |
| N37 | C36 | C34 | O35 | 179.0° | 180.0° |
| N37 | C36 | C34 | C33 | 3.1° | 0.1° |
| C36 | N37 | C38 | C32 | 3.1° | 0.6° |
| C36 | N37 | C38 | H20 | 176.8° | 180.0° |
| C38 | N37 | C36 | C34 | 3.3° | 0.2° |
| N37 | C38 | C32 | H20 | 180.0° | 179.4° |
| N37 | C38 | C32 | C33 | 2.8° | 0.6° |
| N37 | C38 | C32 | C24 | 177.2° | 179.8° |
| C38 | N37 | C36 | H19 | 176.7° | 179.7° |
| C36 | C34 | O35 | C33 | 177.9° | 179.9° |
| C36 | C34 | C33 | C32 | 2.8° | 0.0° |
| C36 | C34 | C33 | H18 | 177.2° | 180.0° |
| C36 | C34 | O35 | H28 | 180.0° | 90.0° |
| O35 | C34 | C33 | C32 | 179.3° | 180.0° |
| O35 | C34 | C33 | H18 | 0.8° | 0.0° |
| O35 | C34 | C36 | H19 | 1.0° | 0.1° |
| C34 | C33 | C32 | C38 | 2.6° | 0.3° |
| C34 | C33 | C32 | H18 | 180.0° | 180.0° |
| C34 | C33 | C32 | C24 | 176.8° | 179.9° |
| C33 | C34 | C36 | H19 | 176.9° | 180.0° |
| C33 | C34 | O35 | H28 | 2.1° | 90.0° |
| C38 | C32 | C33 | C24 | 174.1° | 179.7° |
| C38 | C32 | C24 | C25 | 143.0° | 135.1° |
| C38 | C32 | C24 | N23 | 38.5° | 44.9° |
| C38 | C32 | C33 | H18 | 177.3° | 179.8° |
| C14 | C13 | N12 | H22 | 120.7° | 120.0° |
| C14 | C13 | N12 | H23 | 120.7° | 120.0° |
| C13 | C14 | C15 | C19 | 176.3° | 179.4° |
| C13 | C14 | C15 | C16 | 177.4° | 180.0° |
| C14 | C13 | N12 | N11 | 99.1° | 90.0° |
| C13 | C14 | C19 | C18 | 177.7° | 180.0° |
| C14 | C13 | N12 | C2 | 82.5° | 90.5° |
| C13 | C14 | C15 | H10 | 2.5° | 0.3° |
| C13 | C14 | C19 | H14 | 2.3° | 0.3° |
| C14 | C13 | H22 | H23 | 118.0° | 119.9° |
| N12 | C13 | C14 | C15 | 126.4° | 90.0° |
| N12 | C13 | C14 | C19 | 57.2° | 89.4° |
| C13 | N12 | N11 | C2 | 178.3° | 179.5° |
| C13 | N12 | N11 | C10 | 178.8° | 180.0° |
| C13 | N12 | C2 | O1 | 1.8° | 0.3° |
| C13 | N12 | C2 | C3 | 178.0° | 180.0° |
| N12 | C13 | H22 | H23 | 117.9° | 120.1° |
| N27 | C26 | C25 | N28 | 178.2° | 179.9° |
| N27 | C26 | C25 | C24 | 2.0° | 0.1° |
| N27 | C26 | C25 | C31 | 179.9° | 180.0° |
| N27 | C26 | N28 | C29 | 179.7° | 180.0° |
| C26 | N27 | H25 | H26 | 120.0° | 180.0° |
| C33 | C32 | C24 | C25 | 42.8° | 45.2° |
| C33 | C32 | C24 | N23 | 135.7° | 134.8° |
| C33 | C32 | C38 | H20 | 177.2° | 180.0° |
| C32 | C24 | C25 | C26 | 2.7° | 0.0° |
| C32 | C24 | C25 | N23 | 178.7° | 180.0° |
| C32 | C24 | C25 | C31 | 179.2° | 180.0° |
| C32 | C24 | N23 | N22 | 179.2° | 179.9° |
| C24 | C32 | C33 | H18 | 3.2° | 0.1° |
| C24 | C32 | C38 | H20 | 2.7° | 0.3° |
| C14 | C15 | C16 | H10 | 180.0° | 179.7° |
| C15 | C14 | C19 | C18 | 1.4° | 0.6° |
| C14 | C15 | C16 | C17 | 0.5° | 0.3° |
| C14 | C15 | C16 | H11 | 179.5° | 179.8° |
| C15 | C14 | C19 | H14 | 178.6° | 179.7° |
| C15 | C14 | C13 | H22 | 5.7° | 30.1° |
| C15 | C14 | C13 | H23 | 113.0° | 150.0° |
| C19 | C14 | C15 | C16 | 1.1° | 0.6° |
| C14 | C19 | C18 | H14 | 180.0° | 179.7° |
| C14 | C19 | C18 | C17 | 1.1° | 0.3° |
| C19 | C14 | C15 | H10 | 178.9° | 179.7° |
| C14 | C19 | C18 | H13 | 178.9° | 179.7° |
| C19 | C14 | C13 | H22 | 177.9° | 150.6° |
| C19 | C14 | C13 | H23 | 63.4° | 30.6° |
| C15 | C16 | C17 | H11 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C15 | C16 | C17 | H12 | 179.7° | 179.9° |
| N12 | N11 | C10 | C9 | 0.4° | 0.3° |
| N11 | N12 | C2 | O1 | 179.9° | 179.8° |
| N11 | N12 | C2 | C3 | 0.2° | 0.5° |
| N12 | N11 | C10 | H21 | 179.6° | 179.8° |
| N11 | N12 | C13 | H22 | 140.2° | 29.9° |
| N11 | N12 | C13 | H23 | 21.6° | 150.0° |
| C10 | N11 | N12 | C2 | 0.5° | 0.5° |
| N11 | C10 | C9 | H21 | 180.0° | 179.9° |
| N11 | C10 | C9 | C3 | 0.3° | 0.0° |
| N11 | C10 | C9 | C20 | 179.9° | 180.0° |
| C19 | C18 | C17 | C16 | 0.6° | 0.0° |
| C19 | C18 | C17 | H13 | 180.0° | 180.0° |
| C19 | C18 | C17 | H12 | 179.4° | 179.9° |
| N12 | C2 | O1 | C3 | 179.8° | 179.7° |
| N12 | C2 | C3 | C9 | 1.0° | 0.3° |
| N12 | C2 | C3 | C4 | 179.3° | 179.7° |
| C2 | N12 | C13 | H22 | 38.1° | 149.5° |
| C2 | N12 | C13 | H23 | 156.8° | 29.5° |
| C16 | C17 | C18 | H12 | 180.0° | 180.0° |
| C17 | C16 | C15 | H10 | 179.5° | 180.0° |
| C16 | C17 | C18 | H13 | 179.5° | 180.0° |
| C26 | C25 | C24 | C31 | 178.1° | 180.0° |
| C26 | C25 | C24 | N23 | 178.6° | 180.0° |
| C25 | C26 | N28 | C29 | 2.0° | 0.1° |
| C26 | C25 | C31 | N22 | 179.2° | 179.9° |
| C26 | C25 | C31 | N30 | 0.2° | 0.3° |
| C25 | C26 | N27 | H25 | 178.2° | 15.0° |
| C25 | C26 | N27 | H26 | 61.8° | 164.9° |
| N28 | C26 | C25 | C24 | 179.8° | 180.0° |
| N28 | C26 | C25 | C31 | 1.9° | 0.1° |
| C26 | N28 | C29 | N30 | 0.0° | 0.3° |
| N28 | C26 | N27 | H25 | 0.0° | 164.9° |
| N28 | C26 | N27 | H26 | 120.0° | 15.2° |
| C26 | N28 | C29 | H27 | 179.9° | 180.0° |
| C18 | C17 | C16 | H11 | 179.7° | 179.9° |
| C17 | C18 | C19 | H14 | 178.9° | 180.0° |
| C25 | C24 | N23 | N22 | 0.3° | 0.1° |
| C24 | C25 | C31 | N22 | 0.6° | 0.1° |
| C24 | C25 | C31 | N30 | 178.4° | 179.8° |
| N23 | C24 | C25 | C31 | 0.5° | 0.0° |
| C24 | N23 | N22 | C31 | 0.0° | 0.2° |
| C24 | N23 | N22 | C20 | 179.6° | 180.0° |
| C25 | C31 | N22 | N23 | 0.4° | 0.2° |
| C25 | C31 | N22 | N30 | 178.8° | 179.8° |
| C25 | C31 | N30 | C29 | 2.2° | 0.5° |
| C25 | C31 | N22 | C20 | 179.3° | 180.0° |
| C10 | C9 | C3 | C2 | 1.0° | 0.0° |
| C10 | C9 | C20 | N22 | 56.1° | 54.1° |
| C10 | C9 | C3 | C20 | 179.5° | 180.0° |
| C10 | C9 | C3 | C4 | 179.3° | 180.0° |
| C10 | C9 | C20 | C21 | 63.5° | 65.9° |
| C10 | C9 | C20 | H24 | 177.6° | 174.1° |
| N28 | C29 | N30 | C31 | 2.2° | 0.5° |
| N28 | C29 | N30 | H27 | 180.0° | 179.7° |
| N23 | N22 | C31 | C20 | 179.7° | 179.8° |
| N23 | N22 | C31 | N30 | 178.4° | 179.7° |
| N23 | N22 | C20 | C9 | 96.8° | 60.3° |
| N23 | N22 | C20 | C21 | 21.9° | 59.7° |
| N23 | N22 | C20 | H24 | 141.8° | 179.7° |
| O1 | C2 | C3 | C9 | 179.2° | 179.9° |
| O1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C2 | C3 | C9 | C4 | 179.7° | 180.0° |
| C2 | C3 | C9 | C20 | 179.5° | 180.0° |
| C2 | C3 | C4 | C8 | 53.9° | 61.8° |
| C2 | C3 | C4 | C5 | 66.8° | 55.4° |
| C2 | C3 | C4 | H1 | 173.6° | 176.8° |
| N22 | C31 | N30 | C29 | 179.0° | 179.7° |
| C31 | N22 | C20 | C9 | 83.6° | 119.9° |
| C31 | N22 | C20 | C21 | 157.7° | 120.1° |
| C31 | N22 | C20 | H24 | 37.8° | 0.1° |
| N30 | C31 | N22 | C20 | 1.9° | 0.1° |
| C31 | N30 | C29 | H27 | 177.7° | 179.8° |
| N22 | C20 | C9 | C3 | 123.5° | 126.0° |
| N22 | C20 | C9 | C21 | 119.6° | 120.0° |
| N22 | C20 | C9 | H24 | 121.5° | 120.0° |
| N22 | C20 | C21 | H24 | 120.3° | 120.0° |
| N22 | C20 | C21 | H15 | 180.0° | 60.0° |
| N22 | C20 | C21 | H16 | 60.0° | 60.0° |
| N22 | C20 | C21 | H17 | 60.0° | 180.0° |
| C3 | C9 | C20 | C21 | 116.9° | 114.0° |
| C9 | C3 | C4 | C8 | 126.4° | 118.2° |
| C9 | C3 | C4 | C5 | 112.9° | 124.6° |
| C9 | C3 | C4 | H1 | 6.7° | 3.2° |
| C3 | C9 | C10 | H21 | 179.7° | 179.9° |
| C3 | C9 | C20 | H24 | 1.9° | 6.0° |
| C20 | C9 | C3 | C4 | 0.2° | 0.0° |
| C9 | C20 | C21 | H24 | 119.0° | 120.0° |
| C9 | C20 | C21 | H15 | 59.3° | 180.0° |
| C9 | C20 | C21 | H16 | 179.3° | 60.0° |
| C9 | C20 | C21 | H17 | 60.7° | 60.0° |
| C20 | C9 | C10 | H21 | 0.1° | 0.1° |
| C3 | C4 | C8 | C5 | 124.0° | 119.3° |
| C3 | C4 | C8 | H1 | 120.0° | 121.4° |
| C3 | C4 | C8 | C7 | 139.1° | 143.0° |
| C3 | C4 | C5 | H1 | 120.1° | 121.4° |
| C3 | C4 | C5 | C6 | 156.2° | 119.3° |
| C3 | C4 | C5 | H2 | 85.1° | 121.4° |
| C3 | C4 | C5 | H3 | 37.6° | 0.0° |
| C3 | C4 | C8 | H8 | 19.6° | 24.2° |
| C3 | C4 | C8 | H9 | 101.4° | 98.4° |
| C20 | C21 | H15 | H16 | 120.0° | 120.0° |
| C20 | C21 | H15 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C4 | C8 | C7 | H8 | 119.5° | 118.7° |
| C4 | C8 | C7 | H9 | 119.5° | 118.7° |
| C8 | C4 | C5 | H1 | 116.0° | 119.3° |
| C4 | C8 | C7 | C6 | 8.9° | 38.0° |
| C8 | C4 | C5 | C6 | 32.3° | 0.0° |
| C8 | C4 | C5 | H2 | 150.9° | 119.3° |
| C8 | C4 | C5 | H3 | 86.3° | 119.3° |
| C4 | C8 | C7 | H6 | 110.5° | 80.4° |
| C4 | C8 | C7 | H7 | 128.2° | 156.3° |
| C4 | C8 | H8 | H9 | 121.5° | 122.6° |
| C7 | C8 | C4 | C5 | 15.1° | 23.6° |
| C8 | C7 | C6 | H6 | 119.4° | 118.3° |
| C8 | C7 | C6 | H7 | 119.4° | 118.5° |
| C8 | C7 | C6 | C5 | 29.8° | 37.9° |
| C7 | C8 | C4 | H1 | 100.9° | 95.6° |
| C8 | C7 | C6 | H4 | 149.3° | 156.7° |
| C8 | C7 | C6 | H5 | 89.7° | 80.7° |
| C8 | C7 | H6 | H7 | 121.8° | 123.4° |
| C7 | C8 | H8 | H9 | 121.4° | 122.6° |
| C4 | C5 | C6 | C7 | 38.1° | 23.6° |
| C4 | C5 | C6 | H2 | 118.6° | 119.3° |
| C4 | C5 | C6 | H3 | 118.6° | 119.3° |
| C4 | C5 | H2 | H3 | 123.9° | 121.4° |
| C4 | C5 | C6 | H4 | 157.6° | 142.3° |
| C4 | C5 | C6 | H5 | 81.3° | 95.2° |
| C5 | C4 | C8 | H8 | 104.4° | 95.1° |
| C5 | C4 | C8 | H9 | 134.6° | 142.3° |
| C7 | C6 | C5 | H4 | 119.5° | 118.7° |
| C7 | C6 | C5 | H5 | 119.5° | 118.8° |
| C7 | C6 | C5 | H2 | 156.7° | 95.7° |
| C7 | C6 | C5 | H3 | 80.5° | 142.9° |
| C7 | C6 | H4 | H5 | 121.6° | 122.7° |
| C6 | C7 | H6 | H7 | 121.8° | 123.2° |
| C6 | C7 | C8 | H8 | 128.4° | 80.7° |
| C6 | C7 | C8 | H9 | 110.7° | 156.6° |
| C6 | C5 | C4 | H1 | 83.7° | 119.3° |
| C6 | C5 | H2 | H3 | 123.9° | 121.4° |
| C5 | C6 | H4 | H5 | 121.6° | 122.5° |
| C5 | C6 | C7 | H6 | 89.6° | 80.4° |
| C5 | C6 | C7 | H7 | 149.2° | 156.4° |
| H1 | C4 | C5 | H2 | 34.9° | 0.0° |
| H1 | C4 | C5 | H3 | 157.7° | 121.4° |
| H1 | C4 | C8 | H8 | 139.6° | 145.6° |
| H1 | C4 | C8 | H9 | 18.7° | 23.0° |
| H2 | C5 | C6 | H4 | 83.8° | 23.0° |
| H2 | C5 | C6 | H5 | 37.3° | 145.5° |
| H3 | C5 | C6 | H4 | 39.0° | 98.4° |
| H3 | C5 | C6 | H5 | 160.0° | 24.1° |
| H4 | C6 | C7 | H6 | 29.9° | 38.3° |
| H4 | C6 | C7 | H7 | 91.4° | 84.9° |
| H5 | C6 | C7 | H6 | 151.0° | 160.9° |
| H5 | C6 | C7 | H7 | 29.7° | 37.7° |
| H6 | C7 | C8 | H8 | 9.0° | 160.9° |
| H6 | C7 | C8 | H9 | 129.9° | 38.3° |
| H7 | C7 | C8 | H8 | 112.3° | 37.6° |
| H7 | C7 | C8 | H9 | 8.7° | 85.0° |
| H10 | C15 | C16 | H11 | 0.5° | 0.1° |
| H11 | C16 | C17 | H12 | 0.3° | 0.0° |
| H12 | C17 | C18 | H13 | 0.5° | 0.0° |
| H13 | C18 | C19 | H14 | 1.1° | 0.0° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| H15 | C21 | C20 | H24 | 59.7° | 60.0° |
| H16 | C21 | C20 | H24 | 60.3° | 180.0° |
| H17 | C21 | C20 | H24 | 179.7° | 60.0° |






