IER
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.35Å | 1.41Å | Aromatic |
| C20 | N21 | sing | 1.34Å | 1.32Å | Aromatic |
| C19 | N30 | sing | 1.38Å | 1.38Å | Aromatic |
| N21 | C22 | doub | 1.32Å | 1.35Å | Aromatic |
| C02 | C16 | sing | 1.53Å | 1.53Å | |
| C01 | C27 | sing | 1.51Å | 1.54Å | |
| C01 | C15 | sing | 1.54Å | 1.56Å | |
| C01 | C17 | sing | 1.54Å | 1.56Å | |
| N30 | C27 | sing | 1.34Å | 1.35Å | Aromatic |
| N30 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| F13 | C9 | sing | 1.35Å | 1.31Å | |
| C27 | N26 | doub | 1.31Å | 1.32Å | Aromatic |
| C22 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C22 | N28 | sing | 1.38Å | 1.34Å | |
| C18 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.54Å | 1.55Å | |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| N26 | C25 | sing | 1.34Å | 1.33Å | Aromatic |
| C16 | C17 | sing | 1.54Å | 1.56Å | |
| C16 | O29 | sing | 1.43Å | 1.41Å | |
| C25 | C23 | sing | 1.48Å | 1.41Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C23 | doub | 1.39Å | 1.37Å | Aromatic |
| C9 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | C11 | sing | 1.34Å | 1.33Å | Aromatic |
| N2 | C1 | doub | 1.32Å | 1.35Å | Aromatic |
| C3 | C1 | sing | 1.48Å | 1.39Å | |
| C3 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.42Å | 1.37Å | Aromatic |
| C1 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C10 | doub | 1.36Å | 1.41Å | Aromatic |
| C12 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C31 | sing | 1.41Å | 1.38Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | O01 | sing | 1.36Å | 1.35Å | |
| O01 | C03 | sing | 1.43Å | 1.43Å | |
| C03 | C35 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C32 | H14 | sing | 1.08Å | 1.08Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| N28 | H21 | sing | 0.97Å | 1.00Å | |
| N28 | H22 | sing | 0.97Å | 1.00Å | |
| C01 | H23 | sing | 1.09Å | 1.10Å | |
| C02 | H24 | sing | 1.09Å | 1.10Å | |
| C02 | H25 | sing | 1.09Å | 1.10Å | |
| C02 | H26 | sing | 1.09Å | 1.10Å | |
| O29 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | N21 | 123.5° | 121.6° |
| C20 | C19 | N30 | 117.5° | 119.8° |
| C20 | C19 | H11 | 121.3° | 120.1° |
| C19 | C20 | H12 | 118.3° | 119.1° |
| C20 | N21 | C22 | 120.7° | 121.2° |
| N21 | C20 | H12 | 118.3° | 119.2° |
| C19 | N30 | C27 | 133.1° | 134.1° |
| C19 | N30 | C18 | 119.8° | 118.7° |
| N30 | C19 | H11 | 121.2° | 120.1° |
| N21 | C22 | C18 | 119.8° | 119.5° |
| N21 | C22 | N28 | 118.8° | 120.3° |
| C02 | C16 | C15 | 114.6° | 113.7° |
| C02 | C16 | C17 | 114.7° | 113.6° |
| C02 | C16 | O29 | 108.2° | 112.9° |
| C16 | C02 | H24 | 109.5° | 109.5° |
| C16 | C02 | H25 | 109.4° | 109.6° |
| C16 | C02 | H26 | 109.5° | 109.4° |
| C27 | C01 | C15 | 113.2° | 113.6° |
| C27 | C01 | C17 | 114.2° | 113.7° |
| C01 | C27 | N30 | 125.8° | 125.2° |
| C01 | C27 | N26 | 125.9° | 125.1° |
| C27 | C01 | H23 | 113.0° | 112.9° |
| C15 | C01 | C17 | 88.8° | 87.1° |
| C01 | C15 | C16 | 86.2° | 87.1° |
| C01 | C15 | H7 | 114.9° | 113.6° |
| C01 | C15 | H8 | 114.9° | 113.7° |
| C15 | C01 | H23 | 112.7° | 113.6° |
| C01 | C17 | C16 | 86.0° | 87.1° |
| C01 | C17 | H9 | 115.0° | 113.6° |
| C01 | C17 | H10 | 115.0° | 113.7° |
| C17 | C01 | H23 | 112.8° | 113.7° |
| C27 | N30 | C18 | 107.1° | 107.2° |
| N30 | C27 | N26 | 108.2° | 109.7° |
| N30 | C18 | C22 | 118.7° | 119.2° |
| N30 | C18 | C25 | 105.9° | 106.2° |
| C4 | C5 | C6 | 121.0° | 120.2° |
| C5 | C4 | C3 | 120.1° | 119.9° |
| C5 | C4 | H1 | 119.9° | 120.1° |
| C4 | C5 | H2 | 119.5° | 119.9° |
| C5 | C6 | C7 | 118.3° | 120.2° |
| C6 | C5 | H2 | 119.5° | 119.9° |
| C5 | C6 | H3 | 120.8° | 119.9° |
| F13 | C9 | C23 | 114.0° | 120.3° |
| F13 | C9 | C11 | 121.7° | 120.2° |
| C27 | N26 | C25 | 112.6° | 109.7° |
| C18 | C22 | N28 | 121.5° | 120.3° |
| C22 | C18 | C25 | 135.3° | 134.6° |
| C22 | N28 | H21 | 109.5° | 120.0° |
| C22 | N28 | H22 | 109.5° | 120.0° |
| C18 | C25 | N26 | 106.0° | 107.1° |
| C18 | C25 | C23 | 131.5° | 126.5° |
| C15 | C16 | C17 | 89.2° | 87.1° |
| C15 | C16 | O29 | 113.7° | 113.6° |
| C16 | C15 | H7 | 114.9° | 113.5° |
| C16 | C15 | H8 | 114.9° | 113.6° |
| C4 | C3 | C1 | 119.4° | 120.2° |
| C4 | C3 | C8 | 119.4° | 119.7° |
| C3 | C4 | H1 | 119.9° | 120.0° |
| N26 | C25 | C23 | 121.7° | 126.5° |
| C17 | C16 | O29 | 115.6° | 113.6° |
| C16 | C17 | H9 | 115.0° | 113.6° |
| C16 | C17 | H10 | 115.0° | 113.6° |
| C16 | O29 | H27 | 109.5° | 114.0° |
| C25 | C23 | C9 | 125.6° | 119.7° |
| C25 | C23 | C24 | 120.1° | 119.8° |
| C6 | C7 | C8 | 121.7° | 120.2° |
| C7 | C6 | H3 | 120.9° | 119.9° |
| C6 | C7 | H4 | 119.1° | 119.9° |
| C23 | C9 | C11 | 124.3° | 119.5° |
| C9 | C23 | C24 | 113.5° | 120.5° |
| C9 | C11 | N2 | 121.6° | 120.8° |
| C9 | C11 | C12 | 120.5° | 119.2° |
| C23 | C24 | C10 | 123.2° | 120.8° |
| C23 | C24 | H13 | 118.4° | 119.6° |
| C11 | N2 | C1 | 122.6° | 121.6° |
| N2 | C11 | C12 | 117.8° | 120.0° |
| N2 | C1 | C3 | 118.6° | 119.2° |
| N2 | C1 | C32 | 121.4° | 121.6° |
| C1 | C3 | C8 | 121.2° | 120.1° |
| C3 | C1 | C32 | 120.0° | 119.2° |
| C3 | C8 | C7 | 119.5° | 119.8° |
| C3 | C8 | H5 | 120.3° | 120.0° |
| C11 | C12 | C10 | 117.5° | 119.9° |
| C11 | C12 | C31 | 121.6° | 119.0° |
| C1 | C32 | C31 | 116.5° | 119.6° |
| C1 | C32 | H14 | 121.8° | 120.2° |
| C8 | C7 | H4 | 119.2° | 119.9° |
| C7 | C8 | H5 | 120.2° | 120.1° |
| C24 | C10 | C12 | 120.8° | 120.1° |
| C24 | C10 | H6 | 119.6° | 120.0° |
| C10 | C24 | H13 | 118.4° | 119.6° |
| C10 | C12 | C31 | 120.9° | 121.0° |
| C12 | C10 | H6 | 119.6° | 119.9° |
| C12 | C31 | C32 | 120.0° | 118.2° |
| C12 | C31 | O01 | 118.2° | 120.9° |
| C32 | C31 | O01 | 121.8° | 120.9° |
| C31 | C32 | H14 | 121.7° | 120.2° |
| C31 | O01 | C03 | 114.2° | 117.0° |
| O01 | C03 | C35 | 101.9° | 109.4° |
| O01 | C03 | H15 | 111.3° | 109.5° |
| O01 | C03 | H16 | 111.3° | 109.4° |
| C35 | C03 | H15 | 111.3° | 109.5° |
| C35 | C03 | H16 | 111.3° | 109.5° |
| C03 | C35 | H17 | 109.5° | 109.5° |
| C03 | C35 | H18 | 109.5° | 109.5° |
| C03 | C35 | H19 | 109.4° | 109.5° |
| H7 | C15 | H8 | 109.5° | 112.9° |
| H9 | C17 | H10 | 109.4° | 112.8° |
| H15 | C03 | H16 | 109.5° | 109.5° |
| H17 | C35 | H18 | 109.5° | 109.4° |
| H17 | C35 | H19 | 109.5° | 109.5° |
| H18 | C35 | H19 | 109.5° | 109.5° |
| H21 | N28 | H22 | 109.4° | 120.0° |
| H24 | C02 | H25 | 109.5° | 109.5° |
| H24 | C02 | H26 | 109.4° | 109.4° |
| H25 | C02 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | N21 | H12 | 180.0° | 179.5° |
| C20 | C19 | N30 | H11 | 180.0° | 179.4° |
| C19 | C20 | N21 | C22 | 0.1° | 0.4° |
| C20 | C19 | N30 | C27 | 180.0° | 179.3° |
| C20 | C19 | N30 | C18 | 1.4° | 0.1° |
| N21 | C20 | C19 | N30 | 1.3° | 0.5° |
| C20 | N21 | C22 | C18 | 0.9° | 0.0° |
| C20 | N21 | C22 | N28 | 179.3° | 180.0° |
| N21 | C20 | C19 | H11 | 178.7° | 179.8° |
| C19 | N30 | C27 | C01 | 1.3° | 0.1° |
| C19 | N30 | C27 | C18 | 178.7° | 179.4° |
| C19 | N30 | C27 | N26 | 180.0° | 180.0° |
| C19 | N30 | C18 | C22 | 0.5° | 0.3° |
| C19 | N30 | C18 | C25 | 178.4° | 180.0° |
| N30 | C19 | C20 | H12 | 178.7° | 180.0° |
| N21 | C22 | C18 | N30 | 0.7° | 0.3° |
| N21 | C22 | C18 | N28 | 178.4° | 180.0° |
| N21 | C22 | C18 | C25 | 176.5° | 179.9° |
| C22 | N21 | C20 | H12 | 179.9° | 179.9° |
| N21 | C22 | N28 | H21 | 0.0° | 171.3° |
| N21 | C22 | N28 | H22 | 120.0° | 8.7° |
| C02 | C16 | C15 | C01 | 93.8° | 89.1° |
| C02 | C16 | C17 | C01 | 93.6° | 89.2° |
| C02 | C16 | C15 | C17 | 117.0° | 114.5° |
| C02 | C16 | C15 | O29 | 125.2° | 131.0° |
| C02 | C16 | C17 | O29 | 127.0° | 130.8° |
| C02 | C16 | C15 | H7 | 150.4° | 25.4° |
| C02 | C16 | C15 | H8 | 22.0° | 156.3° |
| C02 | C16 | C17 | H9 | 22.2° | 156.3° |
| C02 | C16 | C17 | H10 | 150.6° | 25.5° |
| C16 | C02 | H24 | H25 | 120.0° | 120.1° |
| C16 | C02 | H24 | H26 | 120.0° | 119.9° |
| C16 | C02 | H25 | H26 | 120.0° | 120.0° |
| C02 | C16 | O29 | H27 | 180.0° | 48.6° |
| C27 | C01 | C15 | C17 | 115.9° | 114.6° |
| C27 | C01 | C15 | H23 | 129.8° | 130.8° |
| C27 | C01 | C17 | H23 | 130.8° | 131.0° |
| C01 | C27 | N30 | N26 | 178.7° | 179.9° |
| C01 | C27 | N30 | C18 | 180.0° | 179.6° |
| C27 | C01 | C15 | C16 | 139.2° | 140.0° |
| C01 | C27 | N26 | C25 | 178.0° | 179.7° |
| C27 | C01 | C17 | C16 | 138.1° | 140.0° |
| C27 | C01 | C15 | H7 | 23.4° | 105.5° |
| C27 | C01 | C15 | H8 | 105.0° | 25.5° |
| C27 | C01 | C17 | H9 | 106.1° | 25.4° |
| C27 | C01 | C17 | H10 | 22.3° | 105.5° |
| C15 | C01 | C17 | H23 | 114.2° | 114.5° |
| C15 | C01 | C27 | N30 | 172.7° | 120.0° |
| C15 | C01 | C27 | N26 | 8.8° | 60.1° |
| C01 | C15 | C16 | H7 | 115.8° | 114.5° |
| C01 | C15 | C16 | H8 | 115.8° | 114.6° |
| C15 | C01 | C17 | C16 | 23.1° | 25.4° |
| C01 | C15 | C16 | O29 | 141.0° | 139.9° |
| C01 | C15 | H7 | H8 | 131.1° | 131.4° |
| C15 | C01 | C17 | H9 | 138.9° | 89.1° |
| C15 | C01 | C17 | H10 | 92.6° | 140.0° |
| C17 | C01 | C27 | N30 | 73.1° | 142.5° |
| C17 | C01 | C27 | N26 | 108.4° | 37.4° |
| C01 | C17 | C16 | H9 | 115.8° | 114.5° |
| C01 | C17 | C16 | H10 | 115.8° | 114.7° |
| C01 | C17 | C16 | O29 | 139.4° | 140.0° |
| C17 | C01 | C15 | H7 | 92.5° | 139.9° |
| C17 | C01 | C15 | H8 | 139.1° | 89.1° |
| C01 | C17 | H9 | H10 | 131.2° | 131.3° |
| C27 | N30 | C18 | C22 | 179.4° | 179.8° |
| C27 | N30 | C18 | C25 | 2.7° | 0.5° |
| N30 | C27 | N26 | C25 | 0.7° | 0.4° |
| C27 | N30 | C19 | H11 | 0.0° | 0.1° |
| N30 | C27 | C01 | H23 | 57.7° | 11.1° |
| C18 | N30 | C27 | N26 | 1.3° | 0.5° |
| N30 | C18 | C22 | C25 | 177.2° | 179.6° |
| N30 | C18 | C22 | N28 | 179.1° | 179.7° |
| N30 | C18 | C25 | N26 | 3.0° | 0.3° |
| N30 | C18 | C25 | C23 | 172.8° | 179.8° |
| C18 | N30 | C19 | H11 | 178.6° | 179.5° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C5 | C4 | C3 | C1 | 178.8° | 180.0° |
| C5 | C4 | C3 | C8 | 0.8° | 0.2° |
| C4 | C5 | C6 | H3 | 179.9° | 179.9° |
| C6 | C5 | C4 | C3 | 0.4° | 0.1° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.2° | 0.3° |
| C6 | C5 | C4 | H1 | 179.6° | 179.9° |
| C5 | C6 | C7 | H4 | 179.8° | 180.0° |
| F13 | C9 | C23 | C25 | 7.8° | 0.0° |
| F13 | C9 | C23 | C11 | 177.6° | 180.0° |
| F13 | C9 | C23 | C24 | 177.6° | 180.0° |
| F13 | C9 | C11 | N2 | 0.7° | 0.7° |
| F13 | C9 | C11 | C12 | 180.0° | 180.0° |
| C27 | N26 | C25 | C18 | 2.4° | 0.1° |
| C27 | N26 | C25 | C23 | 173.4° | 179.9° |
| N26 | C27 | C01 | H23 | 120.9° | 168.8° |
| C22 | C18 | C25 | N26 | 179.6° | 179.9° |
| C22 | C18 | C25 | C23 | 9.7° | 0.1° |
| C18 | C22 | N28 | H21 | 178.4° | 8.8° |
| C18 | C22 | N28 | H22 | 58.4° | 171.3° |
| N28 | C22 | C18 | C25 | 1.9° | 0.1° |
| C22 | N28 | H21 | H22 | 120.0° | 180.0° |
| C18 | C25 | N26 | C23 | 171.0° | 180.0° |
| C18 | C25 | C23 | C9 | 140.6° | 123.8° |
| C18 | C25 | C23 | C24 | 50.2° | 56.3° |
| C15 | C16 | C17 | O29 | 116.1° | 114.6° |
| C16 | C15 | H7 | H8 | 131.1° | 131.2° |
| C15 | C16 | C17 | H9 | 139.1° | 89.1° |
| C15 | C16 | C17 | H10 | 92.4° | 140.1° |
| C16 | C15 | C01 | H23 | 91.0° | 89.2° |
| C15 | C16 | C02 | H24 | 180.0° | 59.9° |
| C15 | C16 | C02 | H25 | 60.0° | 180.0° |
| C15 | C16 | C02 | H26 | 60.0° | 60.0° |
| C15 | C16 | O29 | H27 | 51.4° | 180.0° |
| C4 | C3 | C1 | N2 | 47.7° | 180.0° |
| C4 | C3 | C1 | C8 | 179.5° | 179.7° |
| C4 | C3 | C1 | C32 | 132.3° | 0.3° |
| C4 | C3 | C8 | C7 | 0.9° | 0.6° |
| C3 | C4 | C5 | H2 | 179.6° | 180.0° |
| C4 | C3 | C8 | H5 | 179.1° | 179.7° |
| N26 | C25 | C23 | C9 | 50.9° | 56.3° |
| N26 | C25 | C23 | C24 | 118.3° | 123.7° |
| C17 | C16 | C15 | H7 | 92.6° | 139.9° |
| C17 | C16 | C15 | H8 | 139.0° | 89.2° |
| C16 | C17 | H9 | H10 | 131.2° | 131.2° |
| C16 | C17 | C01 | H23 | 91.1° | 89.1° |
| C17 | C16 | C02 | H24 | 78.7° | 37.6° |
| C17 | C16 | C02 | H25 | 161.3° | 82.5° |
| C17 | C16 | C02 | H26 | 41.3° | 157.5° |
| C17 | C16 | O29 | H27 | 49.8° | 82.5° |
| O29 | C16 | C15 | H7 | 25.2° | 105.6° |
| O29 | C16 | C15 | H8 | 103.2° | 25.3° |
| O29 | C16 | C17 | H9 | 104.8° | 25.5° |
| O29 | C16 | C17 | H10 | 23.6° | 105.3° |
| O29 | C16 | C02 | H24 | 51.9° | 168.7° |
| O29 | C16 | C02 | H25 | 68.1° | 48.7° |
| O29 | C16 | C02 | H26 | 171.9° | 71.4° |
| C25 | C23 | C9 | C24 | 169.8° | 180.0° |
| C25 | C23 | C9 | C11 | 174.6° | 180.0° |
| C25 | C23 | C24 | C10 | 175.5° | 180.0° |
| C25 | C23 | C24 | H13 | 4.5° | 0.0° |
| C6 | C7 | C8 | C3 | 0.6° | 0.6° |
| C6 | C7 | C8 | H4 | 180.0° | 179.7° |
| C7 | C6 | C5 | H2 | 179.9° | 180.0° |
| C6 | C7 | C8 | H5 | 179.4° | 179.6° |
| C23 | C9 | C11 | N2 | 176.7° | 179.3° |
| C23 | C9 | C11 | C12 | 2.6° | 0.0° |
| C9 | C23 | C24 | C10 | 5.1° | 0.1° |
| C9 | C23 | C24 | H13 | 174.9° | 180.0° |
| C11 | C9 | C23 | C24 | 4.8° | 0.0° |
| C9 | C11 | N2 | C12 | 179.3° | 179.3° |
| C9 | C11 | N2 | C1 | 179.6° | 179.8° |
| C9 | C11 | C12 | C10 | 0.1° | 0.0° |
| C9 | C11 | C12 | C31 | 179.3° | 180.0° |
| C23 | C24 | C10 | H13 | 180.0° | 180.0° |
| C23 | C24 | C10 | C12 | 3.2° | 0.1° |
| C23 | C24 | C10 | H6 | 176.8° | 179.9° |
| C11 | N2 | C1 | C3 | 179.8° | 179.8° |
| C11 | N2 | C1 | C32 | 0.2° | 0.0° |
| N2 | C11 | C12 | C10 | 179.2° | 179.3° |
| N2 | C11 | C12 | C31 | 1.3° | 0.7° |
| N2 | C1 | C3 | C32 | 180.0° | 179.7° |
| N2 | C1 | C3 | C8 | 131.8° | 0.3° |
| C1 | N2 | C11 | C12 | 1.1° | 0.4° |
| N2 | C1 | C32 | C31 | 0.4° | 0.2° |
| N2 | C1 | C32 | H14 | 179.6° | 179.7° |
| C1 | C3 | C8 | C7 | 178.7° | 179.7° |
| C3 | C1 | C32 | C31 | 179.6° | 180.0° |
| C1 | C3 | C4 | H1 | 1.3° | 0.0° |
| C1 | C3 | C8 | H5 | 1.3° | 0.1° |
| C3 | C1 | C32 | H14 | 0.4° | 0.0° |
| C8 | C3 | C1 | C32 | 48.2° | 180.0° |
| C3 | C8 | C7 | H5 | 180.0° | 179.7° |
| C8 | C3 | C4 | H1 | 179.2° | 179.8° |
| C3 | C8 | C7 | H4 | 179.4° | 179.7° |
| C11 | C12 | C10 | C24 | 0.5° | 0.0° |
| C11 | C12 | C10 | C31 | 179.5° | 180.0° |
| C11 | C12 | C31 | C32 | 0.7° | 0.5° |
| C11 | C12 | C31 | O01 | 179.9° | 179.5° |
| C11 | C12 | C10 | H6 | 179.5° | 180.0° |
| C1 | C32 | C31 | C12 | 0.1° | 0.1° |
| C1 | C32 | C31 | H14 | 180.0° | 180.0° |
| C1 | C32 | C31 | O01 | 179.0° | 180.0° |
| C8 | C7 | C6 | H3 | 179.8° | 179.7° |
| C24 | C10 | C12 | H6 | 180.0° | 180.0° |
| C24 | C10 | C12 | C31 | 179.0° | 180.0° |
| C10 | C12 | C31 | C32 | 179.8° | 179.5° |
| C10 | C12 | C31 | O01 | 0.6° | 0.5° |
| C12 | C10 | C24 | H13 | 176.8° | 180.0° |
| C12 | C31 | C32 | O01 | 179.1° | 180.0° |
| C12 | C31 | O01 | C03 | 162.3° | 180.0° |
| C31 | C12 | C10 | H6 | 1.0° | 0.0° |
| C12 | C31 | C32 | H14 | 179.9° | 180.0° |
| C32 | C31 | O01 | C03 | 18.5° | 0.0° |
| C31 | O01 | C03 | C35 | 172.3° | 180.0° |
| O01 | C31 | C32 | H14 | 1.0° | 0.0° |
| C31 | O01 | C03 | H15 | 69.0° | 60.0° |
| C31 | O01 | C03 | H16 | 53.5° | 60.1° |
| O01 | C03 | C35 | H15 | 118.8° | 120.0° |
| O01 | C03 | C35 | H16 | 118.7° | 119.9° |
| O01 | C03 | H15 | H16 | 123.5° | 120.0° |
| O01 | C03 | C35 | H17 | 180.0° | 180.0° |
| O01 | C03 | C35 | H18 | 60.0° | 60.0° |
| O01 | C03 | C35 | H19 | 60.0° | 60.0° |
| C35 | C03 | H15 | H16 | 123.5° | 120.0° |
| C03 | C35 | H17 | H18 | 120.0° | 120.0° |
| C03 | C35 | H17 | H19 | 120.0° | 120.0° |
| C03 | C35 | H18 | H19 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 0.4° | 0.0° |
| H2 | C5 | C6 | H3 | 0.1° | 0.0° |
| H3 | C6 | C7 | H4 | 0.3° | 0.0° |
| H4 | C7 | C8 | H5 | 0.6° | 0.1° |
| H6 | C10 | C24 | H13 | 3.2° | 0.0° |
| H7 | C15 | C01 | H23 | 153.2° | 25.3° |
| H8 | C15 | C01 | H23 | 24.8° | 156.2° |
| H9 | C17 | C01 | H23 | 24.7° | 156.4° |
| H10 | C17 | C01 | H23 | 153.1° | 25.5° |
| H11 | C19 | C20 | H12 | 1.3° | 0.6° |
| H15 | C03 | C35 | H17 | 61.2° | 60.0° |
| H15 | C03 | C35 | H18 | 178.8° | 180.0° |
| H15 | C03 | C35 | H19 | 58.8° | 60.0° |
| H16 | C03 | C35 | H17 | 61.2° | 60.0° |
| H16 | C03 | C35 | H18 | 58.7° | 59.9° |
| H16 | C03 | C35 | H19 | 178.7° | 180.0° |
| H17 | C35 | H18 | H19 | 120.0° | 120.0° |
| H24 | C02 | H25 | H26 | 120.0° | 119.9° |
