6XL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N35 | C34 | doub | 1.33Å | 1.33Å | Aromatic |
| N35 | C36 | sing | 1.32Å | 1.32Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | N37 | doub | 1.32Å | 1.32Å | Aromatic |
| C33 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| N37 | C32 | sing | 1.33Å | 1.33Å | Aromatic |
| C32 | N31 | sing | 1.39Å | 1.38Å | |
| N31 | C25 | sing | 1.40Å | 1.41Å | |
| C25 | C24 | doub | 1.37Å | 1.38Å | |
| C25 | C26 | sing | 1.41Å | 1.41Å | |
| C24 | C23 | sing | 1.41Å | 1.41Å | |
| O27 | C26 | doub | 1.22Å | 1.23Å | |
| C26 | N28 | sing | 1.35Å | 1.34Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | N22 | sing | 1.32Å | 1.32Å | Aromatic |
| C23 | C19 | sing | 1.48Å | 1.50Å | |
| C23 | C29 | doub | 1.36Å | 1.37Å | |
| N28 | C29 | sing | 1.36Å | 1.36Å | |
| N28 | C30 | sing | 1.46Å | 1.47Å | |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| N22 | C17 | doub | 1.32Å | 1.31Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C38 | sing | 1.51Å | 1.51Å | |
| C17 | N10 | sing | 1.39Å | 1.40Å | |
| C38 | O39 | sing | 1.43Å | 1.42Å | |
| N10 | N9 | sing | 1.39Å | 1.39Å | |
| N10 | C11 | sing | 1.35Å | 1.35Å | |
| N9 | C8 | doub | 1.30Å | 1.29Å | |
| O12 | C11 | doub | 1.22Å | 1.24Å | |
| C11 | C13 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | sing | 1.46Å | 1.45Å | |
| C13 | C7 | doub | 1.41Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| F16 | C14 | sing | 1.35Å | 1.35Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| N31 | H20 | sing | 0.97Å | 1.00Å | |
| C33 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.08Å | 1.08Å | |
| C36 | H23 | sing | 1.08Å | 1.08Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| O39 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | N35 | C36 | 121.0° | 121.0° |
| N35 | C34 | C33 | 119.4° | 119.2° |
| N35 | C34 | H22 | 120.3° | 120.4° |
| N35 | C36 | N37 | 121.5° | 121.8° |
| N35 | C36 | H23 | 119.2° | 119.1° |
| C34 | C33 | C32 | 117.9° | 118.3° |
| C34 | C33 | H21 | 121.1° | 120.8° |
| C33 | C34 | H22 | 120.3° | 120.4° |
| C36 | N37 | C32 | 120.7° | 120.7° |
| N37 | C36 | H23 | 119.3° | 119.1° |
| C33 | C32 | N37 | 119.5° | 119.0° |
| C33 | C32 | N31 | 117.5° | 120.5° |
| C32 | C33 | H21 | 121.0° | 120.9° |
| N37 | C32 | N31 | 123.1° | 120.5° |
| C32 | N31 | C25 | 127.5° | 120.0° |
| C32 | N31 | H20 | 116.3° | 120.0° |
| N31 | C25 | C24 | 125.5° | 120.3° |
| N31 | C25 | C26 | 114.1° | 120.4° |
| C25 | N31 | H20 | 116.2° | 120.0° |
| C24 | C25 | C26 | 120.5° | 119.3° |
| C25 | C24 | C23 | 119.4° | 119.1° |
| C25 | C24 | H15 | 120.3° | 120.4° |
| C25 | C26 | O27 | 120.2° | 119.9° |
| C25 | C26 | N28 | 119.0° | 120.2° |
| C24 | C23 | C19 | 122.3° | 120.1° |
| C24 | C23 | C29 | 117.1° | 119.8° |
| C23 | C24 | H15 | 120.3° | 120.5° |
| O27 | C26 | N28 | 120.7° | 119.9° |
| C26 | N28 | C29 | 121.0° | 120.9° |
| C26 | N28 | C30 | 118.3° | 119.6° |
| C21 | C20 | C19 | 121.0° | 119.1° |
| C20 | C21 | N22 | 120.8° | 121.0° |
| C21 | C20 | H13 | 119.5° | 120.4° |
| C20 | C21 | H14 | 119.6° | 119.5° |
| C20 | C19 | C23 | 118.3° | 120.8° |
| C20 | C19 | C18 | 116.2° | 118.3° |
| C19 | C20 | H13 | 119.5° | 120.5° |
| C21 | N22 | C17 | 120.4° | 122.0° |
| N22 | C21 | H14 | 119.6° | 119.5° |
| C19 | C23 | C29 | 120.5° | 120.1° |
| C23 | C19 | C18 | 125.4° | 120.9° |
| C23 | C29 | N28 | 123.0° | 120.7° |
| C23 | C29 | H16 | 118.5° | 119.7° |
| C29 | N28 | C30 | 120.7° | 119.5° |
| N28 | C29 | H16 | 118.5° | 119.6° |
| N28 | C30 | H17 | 109.5° | 109.4° |
| N28 | C30 | H18 | 109.5° | 109.5° |
| N28 | C30 | H19 | 109.5° | 109.5° |
| C19 | C18 | C17 | 118.7° | 119.0° |
| C19 | C18 | C38 | 121.4° | 120.5° |
| N22 | C17 | C18 | 122.8° | 120.7° |
| N22 | C17 | N10 | 120.8° | 119.6° |
| C17 | C18 | C38 | 119.7° | 120.5° |
| C18 | C17 | N10 | 116.3° | 119.7° |
| C18 | C38 | O39 | 114.5° | 109.5° |
| C18 | C38 | H24 | 108.2° | 109.4° |
| C18 | C38 | H25 | 108.2° | 109.4° |
| C17 | N10 | N9 | 115.3° | 119.1° |
| C17 | N10 | C11 | 121.5° | 119.1° |
| O39 | C38 | H24 | 108.2° | 109.5° |
| O39 | C38 | H25 | 108.2° | 109.5° |
| C38 | O39 | H26 | 109.5° | 114.0° |
| N9 | N10 | C11 | 123.2° | 121.7° |
| N10 | N9 | C8 | 121.4° | 122.7° |
| N10 | C11 | O12 | 121.0° | 120.6° |
| N10 | C11 | C13 | 117.8° | 118.8° |
| N9 | C8 | C7 | 120.2° | 120.0° |
| N9 | C8 | H5 | 119.9° | 120.0° |
| O12 | C11 | C13 | 121.1° | 120.6° |
| C11 | C13 | C7 | 117.2° | 118.2° |
| C11 | C13 | C14 | 124.7° | 122.0° |
| C8 | C7 | C13 | 119.9° | 118.6° |
| C8 | C7 | C6 | 120.1° | 121.8° |
| C7 | C8 | H5 | 119.9° | 120.0° |
| C7 | C13 | C14 | 117.8° | 119.8° |
| C13 | C7 | C6 | 120.1° | 119.6° |
| C13 | C14 | F16 | 119.8° | 120.3° |
| C13 | C14 | C15 | 121.7° | 119.5° |
| C7 | C6 | C5 | 120.9° | 119.7° |
| C7 | C6 | H4 | 119.5° | 120.1° |
| F16 | C14 | C15 | 118.5° | 120.2° |
| C14 | C15 | C5 | 119.8° | 120.7° |
| C14 | C15 | H12 | 120.1° | 119.7° |
| C6 | C5 | C15 | 119.7° | 120.8° |
| C6 | C5 | C2 | 118.6° | 119.6° |
| C5 | C6 | H4 | 119.5° | 120.2° |
| C15 | C5 | C2 | 121.7° | 119.6° |
| C5 | C15 | H12 | 120.1° | 119.6° |
| C5 | C2 | C3 | 111.1° | 109.5° |
| C5 | C2 | C1 | 108.4° | 109.5° |
| C5 | C2 | C4 | 110.2° | 109.5° |
| C3 | C2 | C1 | 108.6° | 109.4° |
| C3 | C2 | C4 | 108.9° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.4° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C2 | C3 | H8 | 109.4° | 109.5° |
| C1 | C2 | C4 | 109.6° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C2 | C4 | H1 | 109.5° | 109.4° |
| C2 | C4 | H2 | 109.5° | 109.5° |
| C2 | C4 | H3 | 109.5° | 109.4° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H1 | C4 | H3 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.4° | 109.5° |
| H6 | C3 | H8 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H11 | 109.4° | 109.5° |
| H10 | C1 | H11 | 109.4° | 109.5° |
| H17 | C30 | H18 | 109.5° | 109.5° |
| H17 | C30 | H19 | 109.5° | 109.4° |
| H18 | C30 | H19 | 109.4° | 109.5° |
| H24 | C38 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N35 | C34 | C33 | H22 | 180.0° | 179.9° |
| C34 | N35 | C36 | N37 | 0.1° | 0.3° |
| N35 | C34 | C33 | C32 | 0.9° | 0.0° |
| N35 | C34 | C33 | H21 | 179.1° | 179.9° |
| C34 | N35 | C36 | H23 | 179.9° | 180.0° |
| C36 | N35 | C34 | C33 | 0.7° | 0.0° |
| N35 | C36 | N37 | H23 | 180.0° | 179.7° |
| N35 | C36 | N37 | C32 | 0.7° | 0.6° |
| C36 | N35 | C34 | H22 | 179.3° | 179.9° |
| C34 | C33 | C32 | H21 | 180.0° | 179.9° |
| C34 | C33 | C32 | N37 | 0.3° | 0.3° |
| C34 | C33 | C32 | N31 | 179.7° | 180.0° |
| C36 | N37 | C32 | C33 | 0.5° | 0.6° |
| C36 | N37 | C32 | N31 | 179.5° | 179.7° |
| C33 | C32 | N37 | N31 | 180.0° | 179.7° |
| C33 | C32 | N31 | C25 | 173.6° | 6.0° |
| C33 | C32 | N31 | H20 | 6.4° | 174.1° |
| C32 | C33 | C34 | H22 | 179.1° | 179.9° |
| N37 | C32 | N31 | C25 | 6.4° | 174.3° |
| N37 | C32 | N31 | H20 | 173.6° | 5.6° |
| N37 | C32 | C33 | H21 | 179.7° | 179.8° |
| C32 | N37 | C36 | H23 | 179.2° | 179.7° |
| C32 | N31 | C25 | H20 | 180.0° | 179.9° |
| C32 | N31 | C25 | C24 | 16.3° | 119.3° |
| C32 | N31 | C25 | C26 | 164.7° | 60.8° |
| N31 | C32 | C33 | H21 | 0.3° | 0.1° |
| N31 | C25 | C24 | C26 | 179.0° | 179.9° |
| N31 | C25 | C24 | C23 | 179.1° | 180.0° |
| N31 | C25 | C26 | O27 | 1.0° | 0.1° |
| N31 | C25 | C26 | N28 | 179.0° | 180.0° |
| N31 | C25 | C24 | H15 | 0.9° | 0.0° |
| C25 | C24 | C23 | H15 | 180.0° | 179.9° |
| C24 | C25 | C26 | O27 | 179.9° | 180.0° |
| C24 | C25 | C26 | N28 | 0.1° | 0.1° |
| C25 | C24 | C23 | C19 | 177.6° | 179.9° |
| C25 | C24 | C23 | C29 | 0.2° | 0.3° |
| C24 | C25 | N31 | H20 | 163.7° | 60.8° |
| C26 | C25 | C24 | C23 | 0.1° | 0.1° |
| C25 | C26 | O27 | N28 | 180.0° | 179.9° |
| C25 | C26 | N28 | C29 | 0.8° | 0.3° |
| C25 | C26 | N28 | C30 | 178.7° | 179.9° |
| C26 | C25 | C24 | H15 | 179.9° | 180.0° |
| C26 | C25 | N31 | H20 | 15.3° | 119.2° |
| C24 | C23 | C19 | C20 | 45.7° | 104.7° |
| C24 | C23 | C19 | C29 | 177.3° | 179.8° |
| C24 | C23 | C29 | N28 | 0.9° | 0.5° |
| C24 | C23 | C19 | C18 | 136.6° | 75.2° |
| C24 | C23 | C29 | H16 | 179.1° | 179.7° |
| O27 | C26 | N28 | C29 | 179.2° | 179.8° |
| O27 | C26 | N28 | C30 | 1.3° | 0.0° |
| C26 | N28 | C29 | C23 | 1.2° | 0.5° |
| C26 | N28 | C29 | C30 | 179.5° | 179.8° |
| C26 | N28 | C29 | H16 | 178.8° | 179.7° |
| C26 | N28 | C30 | H17 | 180.0° | 0.0° |
| C26 | N28 | C30 | H18 | 60.0° | 120.0° |
| C26 | N28 | C30 | H19 | 60.0° | 120.0° |
| C21 | C20 | C19 | H13 | 180.0° | 179.7° |
| C20 | C21 | N22 | H14 | 180.0° | 179.8° |
| C21 | C20 | C19 | C23 | 178.9° | 180.0° |
| C21 | C20 | C19 | C18 | 0.9° | 0.1° |
| C20 | C21 | N22 | C17 | 0.8° | 0.6° |
| C19 | C20 | C21 | N22 | 0.2° | 0.3° |
| C20 | C19 | C23 | C18 | 177.7° | 179.9° |
| C20 | C19 | C23 | C29 | 131.6° | 75.0° |
| C20 | C19 | C18 | C17 | 0.7° | 0.1° |
| C20 | C19 | C18 | C38 | 176.8° | 180.0° |
| C19 | C20 | C21 | H14 | 179.8° | 179.9° |
| C21 | N22 | C17 | C18 | 1.0° | 0.6° |
| C21 | N22 | C17 | N10 | 179.7° | 179.7° |
| N22 | C21 | C20 | H13 | 179.8° | 180.0° |
| C19 | C23 | C29 | N28 | 178.3° | 179.7° |
| C23 | C19 | C18 | C17 | 178.5° | 180.0° |
| C23 | C19 | C18 | C38 | 5.4° | 0.0° |
| C23 | C19 | C20 | H13 | 1.1° | 0.3° |
| C19 | C23 | C24 | H15 | 2.4° | 0.0° |
| C19 | C23 | C29 | H16 | 1.7° | 0.1° |
| C23 | C29 | N28 | H16 | 180.0° | 179.8° |
| C23 | C29 | N28 | C30 | 178.2° | 179.7° |
| C29 | C23 | C19 | C18 | 46.1° | 105.0° |
| C29 | C23 | C24 | H15 | 179.7° | 179.8° |
| C29 | N28 | C30 | H17 | 0.5° | 179.8° |
| C29 | N28 | C30 | H18 | 119.5° | 59.8° |
| C29 | N28 | C30 | H19 | 120.6° | 60.2° |
| C30 | N28 | C29 | H16 | 1.8° | 0.1° |
| N28 | C30 | H17 | H18 | 120.0° | 120.0° |
| N28 | C30 | H17 | H19 | 120.0° | 120.0° |
| N28 | C30 | H18 | H19 | 120.0° | 120.1° |
| C19 | C18 | C17 | N22 | 0.2° | 0.3° |
| C19 | C18 | C17 | C38 | 176.2° | 179.9° |
| C19 | C18 | C17 | N10 | 179.6° | 180.0° |
| C19 | C18 | C38 | O39 | 96.3° | 89.4° |
| C18 | C19 | C20 | H13 | 179.1° | 179.8° |
| C19 | C18 | C38 | H24 | 142.9° | 30.7° |
| C19 | C18 | C38 | H25 | 24.4° | 150.6° |
| N22 | C17 | C18 | N10 | 179.4° | 179.7° |
| N22 | C17 | C18 | C38 | 176.0° | 179.7° |
| N22 | C17 | N10 | N9 | 85.5° | 95.2° |
| N22 | C17 | N10 | C11 | 94.0° | 85.0° |
| C17 | N22 | C21 | H14 | 179.2° | 179.7° |
| C17 | C18 | C38 | O39 | 87.6° | 90.7° |
| C18 | C17 | N10 | N9 | 93.8° | 84.5° |
| C18 | C17 | N10 | C11 | 86.7° | 95.3° |
| C17 | C18 | C38 | H24 | 33.1° | 149.3° |
| C17 | C18 | C38 | H25 | 151.7° | 29.4° |
| C38 | C18 | C17 | N10 | 3.4° | 0.1° |
| C18 | C38 | O39 | H24 | 120.8° | 120.0° |
| C18 | C38 | O39 | H25 | 120.8° | 120.0° |
| C18 | C38 | H24 | H25 | 117.7° | 119.9° |
| C18 | C38 | O39 | H26 | 180.0° | 180.0° |
| C17 | N10 | N9 | C11 | 179.5° | 179.8° |
| C17 | N10 | N9 | C8 | 178.1° | 180.0° |
| C17 | N10 | C11 | O12 | 0.4° | 0.0° |
| C17 | N10 | C11 | C13 | 176.0° | 179.9° |
| O39 | C38 | H24 | H25 | 117.7° | 120.1° |
| N9 | N10 | C11 | O12 | 179.0° | 179.9° |
| N9 | N10 | C11 | C13 | 4.5° | 0.1° |
| N10 | N9 | C8 | C7 | 2.4° | 0.1° |
| N10 | N9 | C8 | H5 | 177.6° | 179.9° |
| C11 | N10 | N9 | C8 | 2.4° | 0.2° |
| N10 | C11 | O12 | C13 | 176.3° | 180.0° |
| N10 | C11 | C13 | C7 | 1.9° | 0.1° |
| N10 | C11 | C13 | C14 | 172.4° | 180.0° |
| N9 | C8 | C7 | H5 | 180.0° | 180.0° |
| N9 | C8 | C7 | C13 | 4.8° | 0.1° |
| N9 | C8 | C7 | C6 | 174.7° | 179.9° |
| O12 | C11 | C13 | C7 | 178.3° | 180.0° |
| O12 | C11 | C13 | C14 | 4.0° | 0.1° |
| C11 | C13 | C7 | C8 | 2.6° | 0.2° |
| C11 | C13 | C7 | C14 | 174.7° | 179.9° |
| C11 | C13 | C7 | C6 | 177.0° | 180.0° |
| C11 | C13 | C14 | F16 | 3.7° | 0.3° |
| C11 | C13 | C14 | C15 | 177.3° | 180.0° |
| C8 | C7 | C13 | C6 | 179.6° | 179.9° |
| C8 | C7 | C13 | C14 | 177.3° | 179.9° |
| C8 | C7 | C6 | C5 | 178.6° | 179.9° |
| C8 | C7 | C6 | H4 | 1.4° | 0.1° |
| C7 | C13 | C14 | F16 | 178.0° | 179.8° |
| C7 | C13 | C14 | C15 | 3.0° | 0.1° |
| C13 | C7 | C6 | C5 | 0.9° | 0.1° |
| C13 | C7 | C6 | H4 | 179.1° | 179.9° |
| C13 | C7 | C8 | H5 | 175.2° | 179.9° |
| C14 | C13 | C7 | C6 | 2.3° | 0.1° |
| C13 | C14 | F16 | C15 | 179.0° | 179.7° |
| C13 | C14 | C15 | C5 | 2.3° | 0.0° |
| C13 | C14 | C15 | H12 | 177.7° | 180.0° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C15 | 0.2° | 0.0° |
| C7 | C6 | C5 | C2 | 179.6° | 180.0° |
| C6 | C7 | C8 | H5 | 5.2° | 0.1° |
| F16 | C14 | C15 | C5 | 178.7° | 179.7° |
| F16 | C14 | C15 | H12 | 1.3° | 0.3° |
| C14 | C15 | C5 | C6 | 0.8° | 0.0° |
| C14 | C15 | C5 | H12 | 180.0° | 180.0° |
| C14 | C15 | C5 | C2 | 179.7° | 180.0° |
| C6 | C5 | C15 | C2 | 179.5° | 180.0° |
| C6 | C5 | C2 | C3 | 54.0° | 60.0° |
| C6 | C5 | C2 | C1 | 65.2° | 59.9° |
| C6 | C5 | C2 | C4 | 174.8° | 180.0° |
| C6 | C5 | C15 | H12 | 179.2° | 180.0° |
| C15 | C5 | C2 | C3 | 125.4° | 120.0° |
| C15 | C5 | C2 | C1 | 115.3° | 120.0° |
| C15 | C5 | C2 | C4 | 4.7° | 0.0° |
| C15 | C5 | C6 | H4 | 179.9° | 180.0° |
| C5 | C2 | C3 | C1 | 119.1° | 120.0° |
| C5 | C2 | C3 | C4 | 121.5° | 120.1° |
| C5 | C2 | C1 | C4 | 120.4° | 120.1° |
| C5 | C2 | C4 | H1 | 180.0° | 60.0° |
| C5 | C2 | C4 | H2 | 60.0° | 180.0° |
| C5 | C2 | C4 | H3 | 60.0° | 60.0° |
| C2 | C5 | C6 | H4 | 0.4° | 0.0° |
| C5 | C2 | C3 | H6 | 180.0° | 60.0° |
| C5 | C2 | C3 | H7 | 60.0° | 180.0° |
| C5 | C2 | C3 | H8 | 60.0° | 60.0° |
| C5 | C2 | C1 | H9 | 180.0° | 59.9° |
| C5 | C2 | C1 | H10 | 60.0° | 180.0° |
| C5 | C2 | C1 | H11 | 60.0° | 60.0° |
| C2 | C5 | C15 | H12 | 0.2° | 0.0° |
| C3 | C2 | C1 | C4 | 118.9° | 120.0° |
| C3 | C2 | C4 | H1 | 58.0° | 180.0° |
| C3 | C2 | C4 | H2 | 177.9° | 60.0° |
| C3 | C2 | C4 | H3 | 62.0° | 60.1° |
| C2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C2 | C3 | H6 | H8 | 120.0° | 120.0° |
| C2 | C3 | H7 | H8 | 120.0° | 120.0° |
| C3 | C2 | C1 | H9 | 59.3° | 60.0° |
| C3 | C2 | C1 | H10 | 60.8° | 60.0° |
| C3 | C2 | C1 | H11 | 179.2° | 180.0° |
| C1 | C2 | C4 | H1 | 60.7° | 60.1° |
| C1 | C2 | C4 | H2 | 59.3° | 60.0° |
| C1 | C2 | C4 | H3 | 179.3° | 180.0° |
| C1 | C2 | C3 | H6 | 60.9° | 180.0° |
| C1 | C2 | C3 | H7 | 179.1° | 60.0° |
| C1 | C2 | C3 | H8 | 59.1° | 60.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 119.9° |
| C2 | C4 | H1 | H2 | 120.0° | 120.0° |
| C2 | C4 | H1 | H3 | 120.0° | 119.9° |
| C2 | C4 | H2 | H3 | 120.0° | 120.0° |
| C4 | C2 | C3 | H6 | 58.4° | 60.1° |
| C4 | C2 | C3 | H7 | 61.5° | 60.0° |
| C4 | C2 | C3 | H8 | 178.5° | 180.0° |
| C4 | C2 | C1 | H9 | 59.6° | 180.0° |
| C4 | C2 | C1 | H10 | 179.7° | 59.9° |
| C4 | C2 | C1 | H11 | 60.4° | 60.0° |
| H1 | C4 | H2 | H3 | 120.0° | 120.0° |
| H6 | C3 | H7 | H8 | 120.0° | 120.0° |
| H9 | C1 | H10 | H11 | 119.9° | 120.0° |
| H13 | C20 | C21 | H14 | 0.2° | 0.2° |
| H17 | C30 | H18 | H19 | 120.0° | 120.0° |
| H21 | C33 | C34 | H22 | 0.9° | 0.0° |
| H24 | C38 | O39 | H26 | 59.3° | 60.0° |
| H25 | C38 | O39 | H26 | 59.2° | 60.0° |
