IZ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | S5 | sing | 1.80Å | 1.80Å | |
| C1 | C11 | sing | 1.52Å | 1.52Å | |
| C2 | C3 | sing | 1.49Å | 1.49Å | |
| C3 | N4 | sing | 1.34Å | 1.34Å | |
| C3 | O9 | doub | 1.23Å | 1.23Å | |
| N4 | S5 | sing | 1.83Å | 1.83Å | |
| S5 | O6 | doub | 1.67Å | 1.67Å | |
| S5 | O7 | doub | 1.71Å | 1.71Å | |
| C11 | C12 | sing | 1.47Å | 1.47Å | Aromatic |
| C11 | C16 | doub | 1.47Å | 1.47Å | Aromatic |
| C12 | C13 | doub | 1.46Å | 1.46Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.47Å | Aromatic |
| C14 | C15 | doub | 1.47Å | 1.47Å | Aromatic |
| C14 | C21 | sing | 1.50Å | 1.50Å | |
| C15 | C16 | sing | 1.46Å | 1.46Å | Aromatic |
| C21 | C22 | sing | 1.52Å | 1.52Å | |
| C23 | C4 | doub | 1.45Å | 1.45Å | Aromatic |
| C23 | N11 | sing | 1.41Å | 1.41Å | Aromatic |
| C23 | C27 | sing | 1.47Å | 1.47Å | Aromatic |
| C4 | N13 | sing | 1.41Å | 1.41Å | Aromatic |
| N11 | C25 | doub | 1.41Å | 1.41Å | Aromatic |
| C25 | N13 | sing | 1.41Å | 1.41Å | Aromatic |
| C25 | C22 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.48Å | 1.48Å | Aromatic |
| C17 | C6 | doub | 1.48Å | 1.48Å | Aromatic |
| C19 | C20 | doub | 1.48Å | 1.48Å | Aromatic |
| C20 | C27 | sing | 1.48Å | 1.48Å | Aromatic |
| C27 | C5 | doub | 1.48Å | 1.48Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.48Å | Aromatic |
| C22 | N45 | sing | 1.46Å | 1.46Å | |
| N45 | S1 | sing | 1.70Å | 1.70Å | |
| S1 | O1 | doub | 1.74Å | 1.74Å | |
| S1 | O2 | doub | 1.72Å | 1.72Å | |
| S1 | C8 | sing | 1.78Å | 1.78Å | |
| C18 | C24 | sing | 1.47Å | 1.47Å | |
| C18 | F3 | sing | 1.49Å | 1.49Å | |
| C18 | F1 | sing | 1.50Å | 1.50Å | |
| C18 | F2 | sing | 1.51Å | 1.51Å | |
| 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 | 1.46Å | 1.46Å | Aromatic |
| C8 | C9 | doub | 1.46Å | 1.46Å | Aromatic |
| C9 | C10 | sing | 1.46Å | 1.46Å | 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 | |
| C4 | HA | sing | 1.08Å | 1.08Å | |
| N13 | HB | sing | 1.00Å | 1.00Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N45 | H45 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | S5 | 105.4° | 105.4° |
| C2 | C1 | C11 | 113.6° | 113.6° |
| C1 | C2 | C3 | 109.9° | 109.9° |
| C2 | C1 | H1 | 110.5° | 110.5° |
| C1 | C2 | H2C1 | 109.4° | 109.4° |
| C1 | C2 | H2C2 | 109.2° | 109.2° |
| S5 | C1 | C11 | 112.2° | 112.2° |
| C1 | S5 | N4 | 91.8° | 91.8° |
| C1 | S5 | O6 | 108.6° | 108.6° |
| C1 | S5 | O7 | 114.2° | 114.2° |
| S5 | C1 | H1 | 111.9° | 111.9° |
| C1 | C11 | C12 | 120.1° | 120.1° |
| C1 | C11 | C16 | 119.9° | 119.9° |
| C11 | C1 | H1 | 103.5° | 103.5° |
| C2 | C3 | N4 | 114.9° | 114.9° |
| C2 | C3 | O9 | 123.8° | 123.8° |
| C3 | C2 | H2C1 | 109.3° | 109.3° |
| C3 | C2 | H2C2 | 109.3° | 109.3° |
| N4 | C3 | O9 | 121.3° | 121.3° |
| C3 | N4 | S5 | 110.6° | 110.6° |
| C3 | N4 | H4 | 124.7° | 124.7° |
| N4 | S5 | O6 | 112.1° | 112.1° |
| N4 | S5 | O7 | 114.8° | 114.8° |
| S5 | N4 | H4 | 124.7° | 124.7° |
| O6 | S5 | O7 | 113.5° | 113.5° |
| C12 | C11 | C16 | 120.0° | 120.0° |
| C11 | C12 | C13 | 119.9° | 119.9° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C11 | C16 | C15 | 120.1° | 120.1° |
| C11 | C16 | H16 | 119.9° | 119.9° |
| C12 | C13 | C14 | 119.8° | 119.8° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | H13 | 120.1° | 120.1° |
| C13 | C14 | C15 | 120.3° | 120.3° |
| C13 | C14 | C21 | 119.9° | 119.9° |
| C14 | C13 | H13 | 120.1° | 120.1° |
| C15 | C14 | C21 | 119.8° | 119.8° |
| C14 | C15 | C16 | 119.8° | 119.8° |
| C14 | C15 | H15 | 120.1° | 120.1° |
| C14 | C21 | C22 | 113.0° | 113.0° |
| C14 | C21 | H211 | 108.3° | 108.3° |
| C14 | C21 | H212 | 107.5° | 107.5° |
| C15 | C16 | H16 | 119.9° | 119.9° |
| C16 | C15 | H15 | 120.1° | 120.1° |
| C21 | C22 | C25 | 110.5° | 110.5° |
| C21 | C22 | N45 | 106.7° | 106.7° |
| C22 | C21 | H211 | 108.3° | 108.4° |
| C22 | C21 | H212 | 107.5° | 107.5° |
| C21 | C22 | H22 | 111.0° | 111.0° |
| C4 | C23 | N11 | 106.8° | 106.8° |
| C4 | C23 | C27 | 128.4° | 128.4° |
| C23 | C4 | N13 | 108.9° | 108.9° |
| C23 | C4 | HA | 125.5° | 125.5° |
| N11 | C23 | C27 | 124.7° | 124.7° |
| C23 | N11 | C25 | 107.5° | 107.5° |
| C23 | C27 | C20 | 118.5° | 118.5° |
| C23 | C27 | C5 | 121.7° | 121.7° |
| C4 | N13 | C25 | 106.1° | 106.1° |
| N13 | C4 | HA | 125.5° | 125.5° |
| C4 | N13 | HB | 126.9° | 126.9° |
| N11 | C25 | N13 | 110.5° | 110.5° |
| N11 | C25 | C22 | 125.9° | 125.9° |
| N13 | C25 | C22 | 123.6° | 123.6° |
| C25 | N13 | HB | 127.0° | 127.0° |
| C25 | C22 | N45 | 110.5° | 110.5° |
| C25 | C22 | H22 | 107.3° | 107.3° |
| C19 | C17 | C6 | 120.0° | 120.0° |
| C17 | C19 | C20 | 120.0° | 120.0° |
| C19 | C17 | H17 | 120.0° | 120.0° |
| C17 | C19 | H19 | 120.0° | 120.0° |
| C17 | C6 | C5 | 120.1° | 120.1° |
| C6 | C17 | H17 | 120.0° | 120.0° |
| C17 | C6 | H6 | 120.0° | 120.0° |
| C19 | C20 | C27 | 120.0° | 120.0° |
| C20 | C19 | H19 | 120.0° | 120.0° |
| C19 | C20 | H20 | 120.0° | 119.9° |
| C20 | C27 | C5 | 119.9° | 119.9° |
| C27 | C20 | H20 | 120.0° | 120.0° |
| C27 | C5 | C6 | 120.0° | 120.0° |
| C27 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 119.9° | 119.9° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C22 | N45 | S1 | 120.3° | 120.3° |
| N45 | C22 | H22 | 111.0° | 111.0° |
| C22 | N45 | H45 | 106.0° | 106.0° |
| N45 | S1 | O1 | 96.8° | 96.8° |
| N45 | S1 | O2 | 111.6° | 111.6° |
| N45 | S1 | C8 | 107.0° | 107.0° |
| S1 | N45 | H45 | 106.0° | 106.0° |
| O1 | S1 | O2 | 111.5° | 111.5° |
| O1 | S1 | C8 | 109.3° | 109.3° |
| O2 | S1 | C8 | 118.4° | 118.4° |
| S1 | C8 | C7 | 114.1° | 114.1° |
| S1 | C8 | C9 | 124.6° | 124.6° |
| C24 | C18 | F3 | 117.0° | 117.0° |
| C24 | C18 | F1 | 111.0° | 111.0° |
| C24 | C18 | F2 | 111.7° | 111.7° |
| C18 | C24 | C26 | 120.0° | 120.0° |
| C18 | C24 | C7 | 120.0° | 120.0° |
| F3 | C18 | F1 | 105.1° | 105.1° |
| F3 | C18 | F2 | 101.5° | 101.5° |
| F1 | C18 | F2 | 110.0° | 110.0° |
| C26 | C24 | C7 | 120.1° | 120.1° |
| C24 | C26 | C10 | 119.9° | 119.9° |
| C24 | C26 | H26 | 120.0° | 120.0° |
| C24 | C7 | C8 | 119.8° | 119.8° |
| C24 | C7 | H7 | 120.1° | 120.1° |
| C26 | C10 | C9 | 120.0° | 120.0° |
| C10 | C26 | H26 | 120.1° | 120.1° |
| C26 | C10 | H10 | 120.0° | 120.0° |
| C7 | C8 | C9 | 120.3° | 120.3° |
| C8 | C7 | H7 | 120.1° | 120.1° |
| C8 | C9 | C10 | 119.9° | 119.9° |
| C8 | C9 | H9 | 120.1° | 120.1° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C10 | C9 | H9 | 120.0° | 120.1° |
| H2C1 | C2 | H2C2 | 109.8° | 109.8° |
| H211 | C21 | H212 | 112.3° | 112.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | S5 | C11 | 124.0° | 124.0° |
| C2 | C1 | S5 | H1 | 120.1° | 120.1° |
| C2 | C1 | C11 | H1 | 119.8° | 119.8° |
| C1 | C2 | C3 | H2C1 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2C2 | 119.8° | 119.8° |
| C1 | C2 | C3 | N4 | 19.0° | 19.0° |
| C1 | C2 | C3 | O9 | 162.1° | 162.1° |
| C2 | C1 | S5 | N4 | 23.7° | 23.7° |
| C2 | C1 | S5 | O6 | 137.8° | 137.8° |
| C2 | C1 | S5 | O7 | 94.6° | 94.6° |
| C2 | C1 | C11 | C12 | 36.3° | 36.3° |
| C2 | C1 | C11 | C16 | 142.6° | 142.6° |
| C1 | C2 | H2C1 | H2C2 | 119.8° | 119.8° |
| S5 | C1 | C11 | H1 | 120.8° | 120.8° |
| S5 | C1 | C2 | C3 | 27.9° | 27.9° |
| C1 | S5 | N4 | C3 | 14.4° | 14.4° |
| C1 | S5 | N4 | O6 | 110.9° | 110.9° |
| C1 | S5 | N4 | O7 | 117.8° | 117.8° |
| C1 | S5 | O6 | O7 | 128.1° | 128.1° |
| S5 | C1 | C11 | C12 | 83.1° | 83.1° |
| S5 | C1 | C11 | C16 | 98.1° | 98.1° |
| S5 | C1 | C2 | H2C1 | 92.1° | 92.1° |
| S5 | C1 | C2 | H2C2 | 147.8° | 147.8° |
| C1 | S5 | N4 | H4 | 165.6° | 165.6° |
| C11 | C1 | C2 | C3 | 151.1° | 151.1° |
| C11 | C1 | S5 | N4 | 147.8° | 147.8° |
| C11 | C1 | S5 | O6 | 98.2° | 98.2° |
| C11 | C1 | S5 | O7 | 29.5° | 29.5° |
| C1 | C11 | C12 | C16 | 178.9° | 178.9° |
| C1 | C11 | C12 | C13 | 178.6° | 178.6° |
| C1 | C11 | C16 | C15 | 178.7° | 178.7° |
| C11 | C1 | C2 | H2C1 | 31.1° | 31.1° |
| C11 | C1 | C2 | H2C2 | 89.1° | 89.1° |
| C1 | C11 | C12 | H12 | 1.4° | 1.4° |
| C1 | C11 | C16 | H16 | 1.3° | 1.3° |
| C2 | C3 | N4 | O9 | 178.9° | 178.9° |
| C2 | C3 | N4 | S5 | 0.3° | 0.3° |
| C3 | C2 | C1 | H1 | 93.2° | 93.2° |
| C3 | C2 | H2C1 | H2C2 | 119.8° | 119.8° |
| C2 | C3 | N4 | H4 | 179.6° | 179.6° |
| C3 | N4 | S5 | H4 | 180.0° | 180.0° |
| C3 | N4 | S5 | O6 | 125.3° | 125.3° |
| C3 | N4 | S5 | O7 | 103.3° | 103.3° |
| N4 | C3 | C2 | H2C1 | 101.0° | 101.0° |
| N4 | C3 | C2 | H2C2 | 138.9° | 138.9° |
| O9 | C3 | N4 | S5 | 179.2° | 179.2° |
| O9 | C3 | C2 | H2C1 | 77.9° | 77.9° |
| O9 | C3 | C2 | H2C2 | 42.3° | 42.3° |
| O9 | C3 | N4 | H4 | 0.8° | 0.8° |
| N4 | S5 | O6 | O7 | 132.0° | 132.0° |
| N4 | S5 | C1 | H1 | 96.4° | 96.4° |
| O6 | S5 | C1 | H1 | 17.6° | 17.6° |
| O6 | S5 | N4 | H4 | 54.7° | 54.7° |
| O7 | S5 | C1 | H1 | 145.3° | 145.3° |
| O7 | S5 | N4 | H4 | 76.6° | 76.6° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.2° |
| C12 | C11 | C16 | C15 | 0.2° | 0.2° |
| C12 | C11 | C1 | H1 | 156.1° | 156.1° |
| C12 | C11 | C16 | H16 | 179.8° | 179.8° |
| C11 | C12 | C13 | H13 | 179.8° | 179.8° |
| C16 | C11 | C12 | C13 | 0.3° | 0.3° |
| C11 | C16 | C15 | C14 | 0.1° | 0.1° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C16 | C11 | C1 | H1 | 22.8° | 22.8° |
| C16 | C11 | C12 | H12 | 179.7° | 179.7° |
| C11 | C16 | C15 | H15 | 179.9° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C12 | C13 | C14 | C21 | 179.4° | 179.4° |
| C13 | C14 | C15 | C21 | 179.4° | 179.4° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C21 | C22 | 122.8° | 122.8° |
| C14 | C13 | C12 | H12 | 179.8° | 179.8° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| C13 | C14 | C21 | H211 | 2.8° | 2.8° |
| C13 | C14 | C21 | H212 | 118.7° | 118.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C15 | C14 | C21 | C22 | 57.8° | 57.8° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C15 | C14 | C21 | H211 | 177.8° | 177.9° |
| C15 | C14 | C21 | H212 | 60.6° | 60.6° |
| C21 | C14 | C15 | C16 | 179.4° | 179.4° |
| C14 | C21 | C22 | H211 | 120.0° | 120.0° |
| C14 | C21 | C22 | H212 | 118.5° | 118.5° |
| C14 | C21 | C22 | C25 | 73.2° | 73.2° |
| C14 | C21 | C22 | N45 | 166.7° | 166.7° |
| C21 | C14 | C13 | H13 | 0.6° | 0.6° |
| C21 | C14 | C15 | H15 | 0.6° | 0.6° |
| C14 | C21 | H211 | H212 | 118.6° | 118.5° |
| C14 | C21 | C22 | H22 | 45.6° | 45.6° |
| C21 | C22 | C25 | N11 | 107.4° | 107.4° |
| C21 | C22 | C25 | N13 | 72.7° | 72.7° |
| C21 | C22 | C25 | N45 | 117.8° | 117.8° |
| C21 | C22 | C25 | H22 | 121.1° | 121.1° |
| C21 | C22 | N45 | H22 | 121.0° | 121.0° |
| C21 | C22 | N45 | S1 | 165.5° | 165.5° |
| C22 | C21 | H211 | H212 | 118.6° | 118.6° |
| C21 | C22 | N45 | H45 | 74.5° | 74.5° |
| C4 | C23 | N11 | C27 | 179.9° | 179.9° |
| C23 | C4 | N13 | HA | 180.0° | 180.0° |
| C4 | C23 | N11 | C25 | 0.0° | 0.0° |
| C23 | C4 | N13 | C25 | 0.3° | 0.3° |
| C4 | C23 | C27 | C20 | 177.5° | 177.5° |
| C4 | C23 | C27 | C5 | 2.4° | 2.4° |
| C23 | C4 | N13 | HB | 179.7° | 179.7° |
| N11 | C23 | C4 | N13 | 0.2° | 0.2° |
| C23 | N11 | C25 | N13 | 0.2° | 0.2° |
| C23 | N11 | C25 | C22 | 179.7° | 179.7° |
| N11 | C23 | C27 | C20 | 2.7° | 2.7° |
| N11 | C23 | C27 | C5 | 177.5° | 177.5° |
| N11 | C23 | C4 | HA | 179.8° | 179.8° |
| C27 | C23 | C4 | N13 | 179.6° | 179.6° |
| C27 | C23 | N11 | C25 | 179.9° | 179.9° |
| C23 | C27 | C20 | C19 | 179.9° | 179.9° |
| C23 | C27 | C20 | C5 | 179.9° | 179.9° |
| C23 | C27 | C5 | C6 | 180.0° | 180.0° |
| C27 | C23 | C4 | HA | 0.4° | 0.4° |
| C23 | C27 | C20 | H20 | 0.1° | 0.1° |
| C23 | C27 | C5 | H5 | 0.1° | 0.0° |
| C4 | N13 | C25 | N11 | 0.3° | 0.3° |
| C4 | N13 | C25 | HB | 180.0° | 180.0° |
| C4 | N13 | C25 | C22 | 179.5° | 179.5° |
| N11 | C25 | N13 | C22 | 179.8° | 179.8° |
| N11 | C25 | C22 | N45 | 134.7° | 134.7° |
| N11 | C25 | C22 | H22 | 13.6° | 13.6° |
| N11 | C25 | N13 | HB | 179.7° | 179.7° |
| N13 | C25 | C22 | N45 | 45.1° | 45.1° |
| N13 | C25 | C22 | H22 | 166.2° | 166.2° |
| C25 | N13 | C4 | HA | 179.7° | 179.7° |
| C25 | C22 | N45 | H22 | 118.9° | 118.9° |
| C25 | C22 | N45 | S1 | 74.4° | 74.4° |
| C25 | C22 | C21 | H211 | 46.7° | 46.8° |
| C25 | C22 | C21 | H212 | 168.3° | 168.3° |
| C22 | C25 | N13 | HB | 0.4° | 0.4° |
| C25 | C22 | N45 | H45 | 45.6° | 45.6° |
| C19 | C17 | C6 | H17 | 180.0° | 180.0° |
| C17 | C19 | C20 | H19 | 180.0° | 180.0° |
| C17 | C19 | C20 | C27 | 0.1° | 0.1° |
| C19 | C17 | C6 | C5 | 0.0° | 0.0° |
| C19 | C17 | C6 | H6 | 180.0° | 180.0° |
| C17 | C19 | C20 | H20 | 179.9° | 179.9° |
| C6 | C17 | C19 | C20 | 0.1° | 0.1° |
| C17 | C6 | C5 | C27 | 0.1° | 0.1° |
| C17 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C17 | C19 | H19 | 179.9° | 179.9° |
| C17 | C6 | C5 | H5 | 179.9° | 179.9° |
| C19 | C20 | C27 | H20 | 180.0° | 180.0° |
| C19 | C20 | C27 | C5 | 0.0° | 0.0° |
| C20 | C19 | C17 | H17 | 179.9° | 179.9° |
| C20 | C27 | C5 | C6 | 0.1° | 0.1° |
| C27 | C20 | C19 | H19 | 179.9° | 179.9° |
| C20 | C27 | C5 | H5 | 179.9° | 179.9° |
| C27 | C5 | C6 | H5 | 180.0° | 180.0° |
| C27 | C5 | C6 | H6 | 179.9° | 179.9° |
| C5 | C27 | C20 | H20 | 180.0° | 180.0° |
| C5 | C6 | C17 | H17 | 180.0° | 180.0° |
| C22 | N45 | S1 | H45 | 120.0° | 120.0° |
| C22 | N45 | S1 | O1 | 153.1° | 153.1° |
| C22 | N45 | S1 | O2 | 36.7° | 36.7° |
| C22 | N45 | S1 | C8 | 94.3° | 94.3° |
| N45 | C22 | C21 | H211 | 73.4° | 73.3° |
| N45 | C22 | C21 | H212 | 48.2° | 48.2° |
| N45 | S1 | O1 | O2 | 116.5° | 116.5° |
| N45 | S1 | O1 | C8 | 110.7° | 110.7° |
| N45 | S1 | O2 | C8 | 124.8° | 124.8° |
| N45 | S1 | C8 | C7 | 72.8° | 72.8° |
| N45 | S1 | C8 | C9 | 95.9° | 95.9° |
| S1 | N45 | C22 | H22 | 44.5° | 44.5° |
| O1 | S1 | O2 | C8 | 128.1° | 128.1° |
| O1 | S1 | C8 | C7 | 31.0° | 31.0° |
| O1 | S1 | C8 | C9 | 160.3° | 160.3° |
| O1 | S1 | N45 | H45 | 86.9° | 86.9° |
| O2 | S1 | C8 | C7 | 160.1° | 160.1° |
| O2 | S1 | C8 | C9 | 31.2° | 31.2° |
| O2 | S1 | N45 | H45 | 156.7° | 156.7° |
| S1 | C8 | C7 | C24 | 169.1° | 169.1° |
| S1 | C8 | C7 | C9 | 169.2° | 169.2° |
| S1 | C8 | C9 | C10 | 167.8° | 167.8° |
| C8 | S1 | N45 | H45 | 25.7° | 25.7° |
| S1 | C8 | C7 | H7 | 10.9° | 10.9° |
| S1 | C8 | C9 | H9 | 12.2° | 12.2° |
| C24 | C18 | F3 | F1 | 123.6° | 123.6° |
| C24 | C18 | F3 | F2 | 121.8° | 121.8° |
| C24 | C18 | F1 | F2 | 124.1° | 124.1° |
| C18 | C24 | C26 | C7 | 179.8° | 179.8° |
| C18 | C24 | C26 | C10 | 179.7° | 179.7° |
| C18 | C24 | C7 | C8 | 179.8° | 179.8° |
| C18 | C24 | C26 | H26 | 0.3° | 0.3° |
| C18 | C24 | C7 | H7 | 0.2° | 0.2° |
| F3 | C18 | F1 | F2 | 108.5° | 108.5° |
| F3 | C18 | C24 | C26 | 179.0° | 179.0° |
| F3 | C18 | C24 | C7 | 0.7° | 0.7° |
| F1 | C18 | C24 | C26 | 60.4° | 60.4° |
| F1 | C18 | C24 | C7 | 119.8° | 119.8° |
| F2 | C18 | C24 | C26 | 62.7° | 62.7° |
| F2 | C18 | C24 | C7 | 117.1° | 117.1° |
| C24 | C26 | C10 | H26 | 180.0° | 180.0° |
| C26 | C24 | C7 | C8 | 0.0° | 0.0° |
| C24 | C26 | C10 | C9 | 0.0° | 0.0° |
| C26 | C24 | C7 | H7 | 180.0° | 180.0° |
| 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 | 0.1° | 0.1° |
| C7 | C24 | C26 | H26 | 180.0° | 180.0° |
| 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 | 0.2° | 0.2° |
| C7 | C8 | C9 | H9 | 179.8° | 179.8° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | H7 | 179.9° | 179.9° |
| C8 | C9 | C10 | H10 | 179.9° | 179.9° |
| C9 | C10 | C26 | H26 | 180.0° | 180.0° |
| H1 | C1 | C2 | H2C1 | 146.8° | 146.8° |
| H1 | C1 | C2 | H2C2 | 26.7° | 26.7° |
| H12 | C12 | C13 | H13 | 0.2° | 0.2° |
| H16 | C16 | C15 | H15 | 0.1° | 0.1° |
| H211 | C21 | C22 | H22 | 165.6° | 165.6° |
| H212 | C21 | C22 | H22 | 72.9° | 72.9° |
| H22 | C22 | N45 | H45 | 164.5° | 164.5° |
| HA | C4 | N13 | HB | 0.3° | 0.3° |
| H17 | C17 | C19 | H19 | 0.1° | 0.1° |
| H17 | C17 | C6 | H6 | 0.0° | 0.0° |
| H19 | C19 | C20 | H20 | 0.1° | 0.1° |
| H6 | C6 | C5 | H5 | 0.1° | 0.1° |
| H26 | C26 | C10 | H10 | 0.0° | 0.0° |
| H10 | C10 | C9 | H9 | 0.1° | 0.1° |
