IZ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.50Å | 1.50Å | |
| C1 | S5 | sing | 1.80Å | 1.80Å | |
| C1 | C11 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.49Å | 1.49Å | |
| C3 | N4 | sing | 1.33Å | 1.33Å | |
| C3 | O9 | doub | 1.23Å | 1.23Å | |
| N4 | S5 | sing | 1.82Å | 1.82Å | |
| S5 | O6 | doub | 1.68Å | 1.68Å | |
| S5 | O7 | doub | 1.68Å | 1.68Å | |
| C11 | C12 | sing | 1.47Å | 1.47Å | Aromatic |
| C11 | C16 | doub | 1.46Å | 1.46Å | Aromatic |
| C12 | C13 | doub | 1.47Å | 1.47Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.47Å | Aromatic |
| C14 | C15 | doub | 1.46Å | 1.46Å | Aromatic |
| C14 | C21 | sing | 1.50Å | 1.50Å | |
| C15 | C16 | sing | 1.47Å | 1.47Å | Aromatic |
| C21 | C22 | sing | 1.54Å | 1.54Å | |
| C22 | N45 | sing | 1.47Å | 1.47Å | |
| C22 | C25 | sing | 1.53Å | 1.53Å | |
| N45 | S1 | sing | 1.75Å | 1.75Å | |
| S1 | O1 | doub | 1.71Å | 1.71Å | |
| S1 | O2 | doub | 1.69Å | 1.69Å | |
| S1 | C8 | sing | 1.78Å | 1.78Å | |
| C23 | C4 | sing | 1.52Å | 1.52Å | |
| C23 | N11 | sing | 1.47Å | 1.47Å | |
| C23 | C18 | sing | 1.54Å | 1.54Å | |
| C4 | N13 | sing | 1.48Å | 1.48Å | |
| N11 | C25 | doub | 1.41Å | 1.41Å | |
| C25 | N13 | sing | 1.41Å | 1.41Å | |
| F1 | C24 | sing | 1.45Å | 1.45Å | |
| C24 | C26 | sing | 1.47Å | 1.47Å | Aromatic |
| C24 | C7 | doub | 1.46Å | 1.46Å | Aromatic |
| C26 | C10 | doub | 1.46Å | 1.46Å | Aromatic |
| C7 | C8 | sing | 1.45Å | 1.45Å | Aromatic |
| C8 | C9 | doub | 1.47Å | 1.47Å | Aromatic |
| C9 | C10 | sing | 1.46Å | 1.46Å | Aromatic |
| C27 | C18 | sing | 1.52Å | 1.52Å | |
| C27 | C19 | sing | 1.52Å | 1.52Å | |
| C17 | C19 | sing | 1.47Å | 1.47Å | Aromatic |
| C17 | C6 | doub | 1.47Å | 1.47Å | Aromatic |
| C19 | C20 | doub | 1.47Å | 1.47Å | Aromatic |
| C20 | C28 | sing | 1.47Å | 1.47Å | Aromatic |
| C28 | C5 | doub | 1.47Å | 1.47Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.47Å | Aromatic |
| C1 | H1 | sing | 1.10Å | 1.10Å | |
| C2 | H2C1 | sing | 1.10Å | 1.10Å | |
| C2 | H2C2 | sing | 1.10Å | 1.10Å | |
| N4 | H4 | sing | 1.00Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| N45 | H45 | sing | 1.00Å | 1.00Å | |
| C23 | H23 | sing | 1.10Å | 1.10Å | |
| C4 | H4C1 | sing | 1.10Å | 1.10Å | |
| C4 | H4C2 | sing | 1.10Å | 1.10Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| N13 | HA | sing | 1.00Å | 1.00Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | S5 | 105.1° | 105.1° |
| C2 | C1 | C11 | 117.0° | 117.0° |
| C1 | C2 | C3 | 108.7° | 108.7° |
| C2 | C1 | H1 | 108.6° | 108.6° |
| C1 | C2 | H2C1 | 109.8° | 109.8° |
| C1 | C2 | H2C2 | 109.9° | 109.9° |
| S5 | C1 | C11 | 112.6° | 112.6° |
| C1 | S5 | N4 | 90.6° | 90.6° |
| C1 | S5 | O6 | 102.3° | 102.3° |
| C1 | S5 | O7 | 105.6° | 105.6° |
| S5 | C1 | H1 | 113.4° | 113.4° |
| C1 | C11 | C12 | 120.2° | 120.2° |
| C1 | C11 | C16 | 119.5° | 119.5° |
| C11 | C1 | H1 | 100.3° | 100.3° |
| C2 | C3 | N4 | 113.7° | 113.7° |
| C2 | C3 | O9 | 125.1° | 125.1° |
| C3 | C2 | H2C1 | 109.7° | 109.7° |
| C3 | C2 | H2C2 | 109.9° | 109.9° |
| N4 | C3 | O9 | 121.1° | 121.1° |
| C3 | N4 | S5 | 111.8° | 111.8° |
| C3 | N4 | H4 | 124.1° | 124.1° |
| N4 | S5 | O6 | 118.2° | 118.2° |
| N4 | S5 | O7 | 118.4° | 118.4° |
| S5 | N4 | H4 | 124.1° | 124.1° |
| O6 | S5 | O7 | 115.5° | 115.5° |
| C12 | C11 | C16 | 120.3° | 120.3° |
| C11 | C12 | C13 | 119.7° | 119.7° |
| C11 | C12 | H12 | 120.1° | 120.1° |
| C11 | C16 | C15 | 120.1° | 120.1° |
| C11 | C16 | H16 | 120.0° | 120.0° |
| C12 | C13 | C14 | 119.7° | 119.7° |
| C13 | C12 | H12 | 120.1° | 120.1° |
| C12 | C13 | H13 | 120.2° | 120.2° |
| C13 | C14 | C15 | 120.2° | 120.2° |
| C13 | C14 | C21 | 120.1° | 120.1° |
| C14 | C13 | H13 | 120.1° | 120.1° |
| C15 | C14 | C21 | 119.8° | 119.8° |
| C14 | C15 | C16 | 120.1° | 120.1° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C14 | C21 | C22 | 112.8° | 112.8° |
| C14 | C21 | H211 | 108.4° | 108.4° |
| C14 | C21 | H212 | 107.6° | 107.6° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C21 | C22 | N45 | 107.4° | 107.4° |
| C21 | C22 | C25 | 107.9° | 107.9° |
| C22 | C21 | H211 | 108.4° | 108.4° |
| C22 | C21 | H212 | 107.6° | 107.6° |
| C21 | C22 | H22 | 112.4° | 112.4° |
| N45 | C22 | C25 | 111.0° | 111.0° |
| C22 | N45 | S1 | 120.2° | 120.2° |
| N45 | C22 | H22 | 109.3° | 109.3° |
| C22 | N45 | H45 | 106.0° | 106.0° |
| C22 | C25 | N11 | 116.2° | 116.2° |
| C22 | C25 | N13 | 126.8° | 126.8° |
| C25 | C22 | H22 | 108.9° | 108.8° |
| N45 | S1 | O1 | 102.8° | 102.8° |
| N45 | S1 | O2 | 107.7° | 107.7° |
| N45 | S1 | C8 | 105.0° | 105.0° |
| S1 | N45 | H45 | 106.0° | 106.0° |
| O1 | S1 | O2 | 114.7° | 114.7° |
| O1 | S1 | C8 | 113.7° | 113.7° |
| O2 | S1 | C8 | 111.8° | 111.8° |
| S1 | C8 | C7 | 119.9° | 119.9° |
| S1 | C8 | C9 | 120.0° | 120.0° |
| C4 | C23 | N11 | 105.7° | 105.7° |
| C4 | C23 | C18 | 111.7° | 111.7° |
| C23 | C4 | N13 | 109.5° | 109.5° |
| C4 | C23 | H23 | 109.8° | 109.8° |
| C23 | C4 | H4C1 | 109.5° | 109.5° |
| C23 | C4 | H4C2 | 109.5° | 109.5° |
| N11 | C23 | C18 | 107.2° | 107.2° |
| C23 | N11 | C25 | 105.3° | 105.3° |
| N11 | C23 | H23 | 114.0° | 114.0° |
| C23 | C18 | C27 | 112.0° | 112.0° |
| C18 | C23 | H23 | 108.4° | 108.4° |
| C23 | C18 | H181 | 108.6° | 108.6° |
| C23 | C18 | H182 | 108.0° | 108.0° |
| C4 | N13 | C25 | 102.3° | 102.3° |
| N13 | C4 | H4C1 | 109.5° | 109.5° |
| N13 | C4 | H4C2 | 109.4° | 109.4° |
| C4 | N13 | HA | 128.9° | 128.9° |
| N11 | C25 | N13 | 117.0° | 117.0° |
| C25 | N13 | HA | 128.8° | 128.8° |
| F1 | C24 | C26 | 119.9° | 119.9° |
| F1 | C24 | C7 | 119.9° | 119.9° |
| C26 | C24 | C7 | 120.2° | 120.2° |
| C24 | C26 | C10 | 119.9° | 119.9° |
| C24 | C26 | H26 | 120.1° | 120.1° |
| C24 | C7 | C8 | 120.0° | 120.0° |
| C24 | C7 | H7 | 120.0° | 120.0° |
| C26 | C10 | C9 | 119.8° | 119.8° |
| C10 | C26 | H26 | 120.1° | 120.1° |
| C26 | C10 | H10 | 120.1° | 120.1° |
| C7 | C8 | C9 | 120.1° | 120.1° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C9 | C10 | H10 | 120.1° | 120.1° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C18 | C27 | C19 | 116.4° | 116.4° |
| C27 | C18 | H181 | 108.6° | 108.6° |
| C27 | C18 | H182 | 108.1° | 108.1° |
| C18 | C27 | H271 | 107.2° | 107.2° |
| C18 | C27 | H272 | 105.6° | 105.6° |
| C27 | C19 | C17 | 120.0° | 120.0° |
| C27 | C19 | C20 | 120.0° | 120.0° |
| C19 | C27 | H271 | 107.2° | 107.2° |
| C19 | C27 | H272 | 105.6° | 105.6° |
| C19 | C17 | C6 | 120.0° | 120.0° |
| C17 | C19 | C20 | 120.0° | 120.0° |
| C19 | C17 | H17 | 120.0° | 120.0° |
| C17 | C6 | C5 | 120.0° | 120.0° |
| C6 | C17 | H17 | 120.0° | 120.0° |
| C17 | C6 | H6 | 120.0° | 120.0° |
| C19 | C20 | C28 | 119.9° | 119.9° |
| C19 | C20 | H20 | 120.1° | 120.1° |
| C20 | C28 | C5 | 119.9° | 119.9° |
| C28 | C20 | H20 | 120.0° | 120.0° |
| C20 | C28 | H28 | 120.1° | 120.1° |
| C28 | C5 | C6 | 120.2° | 120.2° |
| C5 | C28 | H28 | 120.1° | 120.1° |
| C28 | C5 | H5 | 119.9° | 119.9° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| H2C1 | C2 | H2C2 | 108.8° | 108.8° |
| H211 | C21 | H212 | 112.1° | 112.1° |
| H4C1 | C4 | H4C2 | 109.5° | 109.5° |
| H181 | C18 | H182 | 111.5° | 111.5° |
| H271 | C27 | H272 | 115.1° | 115.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | S5 | C11 | 128.5° | 128.5° |
| C2 | C1 | S5 | H1 | 118.4° | 118.4° |
| C2 | C1 | C11 | H1 | 117.2° | 117.2° |
| C1 | C2 | C3 | H2C1 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2C2 | 120.3° | 120.3° |
| C1 | C2 | C3 | N4 | 24.4° | 24.4° |
| C1 | C2 | C3 | O9 | 153.6° | 153.6° |
| C2 | C1 | S5 | N4 | 26.6° | 26.6° |
| C2 | C1 | S5 | O6 | 145.6° | 145.6° |
| C2 | C1 | S5 | O7 | 93.2° | 93.2° |
| C2 | C1 | C11 | C12 | 43.7° | 43.7° |
| C2 | C1 | C11 | C16 | 136.1° | 136.1° |
| C1 | C2 | H2C1 | H2C2 | 120.3° | 120.3° |
| S5 | C1 | C11 | H1 | 120.9° | 120.9° |
| S5 | C1 | C2 | C3 | 33.0° | 33.0° |
| C1 | S5 | N4 | C3 | 14.3° | 14.3° |
| C1 | S5 | N4 | O6 | 104.3° | 104.3° |
| C1 | S5 | N4 | O7 | 108.1° | 108.1° |
| C1 | S5 | O6 | O7 | 114.1° | 114.1° |
| S5 | C1 | C11 | C12 | 78.2° | 78.2° |
| S5 | C1 | C11 | C16 | 102.0° | 102.0° |
| S5 | C1 | C2 | H2C1 | 87.1° | 87.1° |
| S5 | C1 | C2 | H2C2 | 153.3° | 153.3° |
| C1 | S5 | N4 | H4 | 165.6° | 165.6° |
| C11 | C1 | C2 | C3 | 158.7° | 158.7° |
| C11 | C1 | S5 | N4 | 155.0° | 155.0° |
| C11 | C1 | S5 | O6 | 85.9° | 85.9° |
| C11 | C1 | S5 | O7 | 35.3° | 35.3° |
| C1 | C11 | C12 | C16 | 179.8° | 179.8° |
| C1 | C11 | C12 | C13 | 179.9° | 179.9° |
| C1 | C11 | C16 | C15 | 179.9° | 179.9° |
| C11 | C1 | C2 | H2C1 | 38.7° | 38.7° |
| C11 | C1 | C2 | H2C2 | 80.9° | 80.9° |
| C1 | C11 | C12 | H12 | 0.1° | 0.1° |
| C1 | C11 | C16 | H16 | 0.1° | 0.1° |
| C2 | C3 | N4 | O9 | 178.1° | 178.1° |
| C2 | C3 | N4 | S5 | 3.5° | 3.5° |
| C3 | C2 | C1 | H1 | 88.7° | 88.7° |
| C3 | C2 | H2C1 | H2C2 | 120.3° | 120.3° |
| C2 | C3 | N4 | H4 | 176.6° | 176.6° |
| C3 | N4 | S5 | H4 | 180.0° | 180.0° |
| C3 | N4 | S5 | O6 | 118.6° | 118.6° |
| C3 | N4 | S5 | O7 | 93.7° | 93.7° |
| N4 | C3 | C2 | H2C1 | 95.6° | 95.6° |
| N4 | C3 | C2 | H2C2 | 144.7° | 144.7° |
| O9 | C3 | N4 | S5 | 174.6° | 174.6° |
| O9 | C3 | C2 | H2C1 | 86.4° | 86.4° |
| O9 | C3 | C2 | H2C2 | 33.2° | 33.2° |
| O9 | C3 | N4 | H4 | 5.4° | 5.4° |
| N4 | S5 | O6 | O7 | 148.6° | 148.6° |
| N4 | S5 | C1 | H1 | 91.9° | 91.9° |
| O6 | S5 | C1 | H1 | 27.2° | 27.2° |
| O6 | S5 | N4 | H4 | 61.4° | 61.4° |
| O7 | S5 | C1 | H1 | 148.3° | 148.3° |
| O7 | S5 | N4 | H4 | 86.3° | 86.3° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C12 | C11 | C16 | C15 | 0.1° | 0.1° |
| C12 | C11 | C1 | H1 | 160.9° | 160.9° |
| C12 | C11 | C16 | H16 | 179.9° | 179.9° |
| C11 | C12 | C13 | H13 | 179.9° | 179.9° |
| C16 | C11 | C12 | C13 | 0.1° | 0.1° |
| C11 | C16 | C15 | C14 | 0.1° | 0.1° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C16 | C11 | C1 | H1 | 18.9° | 18.9° |
| C16 | C11 | C12 | H12 | 179.9° | 179.9° |
| C11 | C16 | C15 | H15 | 179.9° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C12 | C13 | C14 | C21 | 179.8° | 179.8° |
| C13 | C14 | C15 | C21 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C21 | C22 | 116.8° | 116.8° |
| C14 | C13 | C12 | H12 | 179.9° | 179.9° |
| C13 | C14 | C15 | H15 | 179.9° | 179.9° |
| C13 | C14 | C21 | H211 | 3.2° | 3.2° |
| C13 | C14 | C21 | H212 | 124.7° | 124.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C15 | C14 | C21 | C22 | 63.2° | 63.2° |
| C14 | C15 | C16 | H16 | 179.9° | 179.9° |
| C15 | C14 | C13 | H13 | 179.9° | 179.9° |
| C15 | C14 | C21 | H211 | 176.8° | 176.8° |
| C15 | C14 | C21 | H212 | 55.4° | 55.3° |
| C21 | C14 | C15 | C16 | 179.9° | 179.9° |
| C14 | C21 | C22 | H211 | 120.0° | 120.0° |
| C14 | C21 | C22 | H212 | 118.6° | 118.5° |
| C14 | C21 | C22 | N45 | 169.2° | 169.2° |
| C14 | C21 | C22 | C25 | 71.1° | 71.1° |
| C21 | C14 | C13 | H13 | 0.1° | 0.1° |
| C21 | C14 | C15 | H15 | 0.1° | 0.1° |
| C14 | C21 | H211 | H212 | 118.6° | 118.6° |
| C14 | C21 | C22 | H22 | 48.9° | 48.9° |
| C21 | C22 | N45 | C25 | 117.7° | 117.7° |
| C21 | C22 | N45 | H22 | 122.2° | 122.2° |
| C21 | C22 | C25 | H22 | 122.2° | 122.2° |
| C21 | C22 | N45 | S1 | 163.8° | 163.8° |
| C21 | C22 | C25 | N11 | 75.0° | 75.0° |
| C21 | C22 | C25 | N13 | 104.1° | 104.1° |
| C22 | C21 | H211 | H212 | 118.6° | 118.6° |
| C21 | C22 | N45 | H45 | 76.2° | 76.2° |
| N45 | C22 | C25 | H22 | 120.4° | 120.4° |
| C22 | N45 | S1 | H45 | 120.0° | 120.0° |
| C22 | N45 | S1 | O1 | 159.6° | 159.6° |
| C22 | N45 | S1 | O2 | 38.1° | 38.1° |
| C22 | N45 | S1 | C8 | 81.2° | 81.2° |
| N45 | C22 | C25 | N11 | 42.4° | 42.4° |
| N45 | C22 | C25 | N13 | 138.5° | 138.5° |
| N45 | C22 | C21 | H211 | 70.8° | 70.8° |
| N45 | C22 | C21 | H212 | 50.6° | 50.6° |
| C25 | C22 | N45 | S1 | 78.5° | 78.5° |
| C22 | C25 | N11 | C23 | 176.5° | 176.5° |
| C22 | C25 | N13 | C4 | 175.3° | 175.3° |
| C22 | C25 | N11 | N13 | 179.1° | 179.1° |
| C25 | C22 | C21 | H211 | 48.9° | 48.9° |
| C25 | C22 | C21 | H212 | 170.3° | 170.4° |
| C25 | C22 | N45 | H45 | 41.5° | 41.5° |
| C22 | C25 | N13 | HA | 4.7° | 4.7° |
| N45 | S1 | O1 | O2 | 116.6° | 116.6° |
| N45 | S1 | O1 | C8 | 113.0° | 113.0° |
| N45 | S1 | O2 | C8 | 114.9° | 114.9° |
| N45 | S1 | C8 | C7 | 84.6° | 84.6° |
| N45 | S1 | C8 | C9 | 95.0° | 95.0° |
| S1 | N45 | C22 | H22 | 41.6° | 41.5° |
| O1 | S1 | O2 | C8 | 131.3° | 131.3° |
| O1 | S1 | C8 | C7 | 27.0° | 27.0° |
| O1 | S1 | C8 | C9 | 153.3° | 153.3° |
| O1 | S1 | N45 | H45 | 80.4° | 80.4° |
| O2 | S1 | C8 | C7 | 158.8° | 158.8° |
| O2 | S1 | C8 | C9 | 21.5° | 21.5° |
| O2 | S1 | N45 | H45 | 158.1° | 158.1° |
| S1 | C8 | C7 | C24 | 179.6° | 179.6° |
| S1 | C8 | C7 | C9 | 179.6° | 179.6° |
| S1 | C8 | C9 | C10 | 179.7° | 179.7° |
| C8 | S1 | N45 | H45 | 38.8° | 38.8° |
| S1 | C8 | C7 | H7 | 0.4° | 0.4° |
| S1 | C8 | C9 | H9 | 0.3° | 0.3° |
| C4 | C23 | N11 | C18 | 119.3° | 119.3° |
| C4 | C23 | N11 | H23 | 120.7° | 120.7° |
| C4 | C23 | C18 | H23 | 121.1° | 121.1° |
| C23 | C4 | N13 | H4C1 | 120.0° | 120.0° |
| C23 | C4 | N13 | H4C2 | 120.0° | 120.0° |
| C4 | C23 | N11 | C25 | 0.3° | 0.3° |
| C23 | C4 | N13 | C25 | 3.2° | 3.2° |
| C4 | C23 | C18 | C27 | 180.0° | 180.0° |
| C23 | C4 | H4C1 | H4C2 | 120.0° | 120.0° |
| C4 | C23 | C18 | H181 | 60.0° | 60.0° |
| C4 | C23 | C18 | H182 | 61.1° | 61.1° |
| C23 | C4 | N13 | HA | 176.8° | 176.8° |
| N11 | C23 | C18 | H23 | 123.5° | 123.5° |
| N11 | C23 | C4 | N13 | 1.9° | 1.9° |
| C23 | N11 | C25 | N13 | 2.7° | 2.7° |
| N11 | C23 | C18 | C27 | 64.6° | 64.6° |
| N11 | C23 | C4 | H4C1 | 118.1° | 118.1° |
| N11 | C23 | C4 | H4C2 | 121.9° | 121.9° |
| N11 | C23 | C18 | H181 | 175.4° | 175.4° |
| N11 | C23 | C18 | H182 | 54.3° | 54.3° |
| C18 | C23 | C4 | N13 | 118.2° | 118.2° |
| C18 | C23 | N11 | C25 | 119.0° | 119.0° |
| C23 | C18 | C27 | H181 | 120.0° | 120.0° |
| C23 | C18 | C27 | H182 | 118.9° | 118.9° |
| C23 | C18 | C27 | C19 | 149.4° | 149.4° |
| C18 | C23 | C4 | H4C1 | 1.8° | 1.8° |
| C18 | C23 | C4 | H4C2 | 121.8° | 121.8° |
| C23 | C18 | H181 | H182 | 118.9° | 118.9° |
| C23 | C18 | C27 | H271 | 29.4° | 29.4° |
| C23 | C18 | C27 | H272 | 93.8° | 93.8° |
| C4 | N13 | C25 | N11 | 3.7° | 3.7° |
| C4 | N13 | C25 | HA | 180.0° | 180.0° |
| N13 | C4 | C23 | H23 | 121.5° | 121.5° |
| N13 | C4 | H4C1 | H4C2 | 120.0° | 120.0° |
| N11 | C25 | C22 | H22 | 162.8° | 162.8° |
| C25 | N11 | C23 | H23 | 121.0° | 121.0° |
| N11 | C25 | N13 | HA | 176.3° | 176.3° |
| N13 | C25 | C22 | H22 | 18.1° | 18.2° |
| C25 | N13 | C4 | H4C1 | 116.8° | 116.8° |
| C25 | N13 | C4 | H4C2 | 123.2° | 123.2° |
| F1 | C24 | C26 | C7 | 179.7° | 179.7° |
| F1 | C24 | C26 | C10 | 179.6° | 179.6° |
| F1 | C24 | C7 | C8 | 179.6° | 179.6° |
| F1 | C24 | C26 | H26 | 0.4° | 0.4° |
| F1 | C24 | C7 | H7 | 0.4° | 0.4° |
| C24 | C26 | C10 | H26 | 180.0° | 180.0° |
| C26 | C24 | C7 | C8 | 0.1° | 0.1° |
| C24 | C26 | C10 | C9 | 0.0° | 0.0° |
| C26 | C24 | C7 | H7 | 179.9° | 179.9° |
| C24 | C26 | C10 | H10 | 180.0° | 180.0° |
| C7 | C24 | C26 | C10 | 0.1° | 0.1° |
| C24 | C7 | C8 | H7 | 180.0° | 180.0° |
| C24 | C7 | C8 | C9 | 0.0° | 0.0° |
| C7 | C24 | C26 | H26 | 179.9° | 179.9° |
| C26 | C10 | C9 | C8 | 0.1° | 0.1° |
| C26 | C10 | C9 | H10 | 180.0° | 180.0° |
| C26 | C10 | C9 | H9 | 179.9° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.1° |
| C7 | C8 | C9 | H9 | 179.9° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 179.9° | 179.9° |
| C9 | C10 | C26 | H26 | 180.0° | 180.0° |
| C18 | C27 | C19 | H271 | 120.0° | 120.0° |
| C18 | C27 | C19 | H272 | 116.8° | 116.8° |
| C18 | C27 | C19 | C17 | 78.1° | 78.1° |
| C18 | C27 | C19 | C20 | 102.8° | 102.8° |
| C27 | C18 | C23 | H23 | 58.9° | 58.9° |
| C27 | C18 | H181 | H182 | 119.0° | 119.0° |
| C18 | C27 | H271 | H272 | 117.1° | 117.1° |
| C27 | C19 | C17 | C20 | 179.1° | 179.1° |
| C27 | C19 | C17 | C6 | 178.9° | 178.9° |
| C27 | C19 | C20 | C28 | 178.9° | 178.9° |
| C19 | C27 | C18 | H181 | 90.6° | 90.6° |
| C19 | C27 | C18 | H182 | 30.5° | 30.5° |
| C19 | C27 | H271 | H272 | 117.2° | 117.2° |
| C27 | C19 | C17 | H17 | 1.1° | 1.1° |
| C27 | C19 | C20 | H20 | 1.0° | 1.0° |
| C19 | C17 | C6 | H17 | 180.0° | 180.0° |
| C17 | C19 | C20 | C28 | 0.2° | 0.2° |
| C19 | C17 | C6 | C5 | 0.1° | 0.1° |
| C17 | C19 | C27 | H271 | 161.9° | 161.9° |
| C17 | C19 | C27 | H272 | 38.7° | 38.7° |
| C19 | C17 | C6 | H6 | 179.9° | 179.9° |
| C17 | C19 | C20 | H20 | 179.8° | 179.8° |
| C6 | C17 | C19 | C20 | 0.2° | 0.2° |
| C17 | C6 | C5 | C28 | 0.1° | 0.1° |
| C17 | C6 | C5 | H6 | 180.0° | 180.0° |
| C17 | C6 | C5 | H5 | 179.9° | 179.9° |
| C19 | C20 | C28 | H20 | 180.0° | 180.0° |
| C19 | C20 | C28 | C5 | 0.0° | 0.0° |
| C20 | C19 | C27 | H271 | 17.2° | 17.2° |
| C20 | C19 | C27 | H272 | 140.4° | 140.4° |
| C20 | C19 | C17 | H17 | 179.7° | 179.7° |
| C19 | C20 | C28 | H28 | 180.0° | 180.0° |
| C20 | C28 | C5 | H28 | 180.0° | 180.0° |
| C20 | C28 | C5 | C6 | 0.1° | 0.1° |
| C20 | C28 | C5 | H5 | 179.8° | 179.8° |
| C28 | C5 | C6 | H5 | 180.0° | 180.0° |
| C28 | C5 | C6 | H6 | 179.9° | 179.9° |
| C5 | C28 | C20 | H20 | 180.0° | 180.0° |
| C5 | C6 | C17 | H17 | 179.9° | 179.9° |
| C6 | C5 | C28 | H28 | 179.9° | 179.9° |
| H1 | C1 | C2 | H2C1 | 151.3° | 151.3° |
| H1 | C1 | C2 | H2C2 | 31.7° | 31.7° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| H16 | C16 | C15 | H15 | 0.0° | 0.0° |
| H211 | C21 | C22 | H22 | 168.9° | 168.9° |
| H212 | C21 | C22 | H22 | 69.7° | 69.6° |
| H22 | C22 | N45 | H45 | 161.6° | 161.5° |
| H23 | C23 | C4 | H4C1 | 118.4° | 118.4° |
| H23 | C23 | C4 | H4C2 | 1.6° | 1.6° |
| H23 | C23 | C18 | H181 | 61.1° | 61.1° |
| H23 | C23 | C18 | H182 | 177.8° | 177.8° |
| H4C1 | C4 | N13 | HA | 63.2° | 63.2° |
| H4C2 | C4 | N13 | HA | 56.8° | 56.8° |
| H181 | C18 | C27 | H271 | 149.4° | 149.4° |
| H181 | C18 | C27 | H272 | 26.2° | 26.2° |
| H182 | C18 | C27 | H271 | 89.5° | 89.5° |
| H182 | C18 | C27 | H272 | 147.3° | 147.3° |
| H26 | C26 | C10 | H10 | 0.0° | 0.0° |
| H10 | C10 | C9 | H9 | 0.1° | 0.1° |
| H17 | C17 | C6 | H6 | 0.1° | 0.1° |
| H6 | C6 | C5 | H5 | 0.1° | 0.1° |
| H20 | C20 | C28 | H28 | 0.0° | 0.0° |
| H28 | C28 | C5 | H5 | 0.1° | 0.1° |
