IZB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.55Å | 1.50Å | |
| C1 | S5 | sing | 1.84Å | 1.79Å | |
| C1 | C11 | sing | 1.51Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.50Å | 1.49Å | |
| C2 | H2C1 | sing | 1.09Å | 1.10Å | |
| C2 | H2C2 | sing | 1.09Å | 1.10Å | |
| C3 | N4 | sing | 1.34Å | 1.34Å | |
| C3 | O9 | doub | 1.21Å | 1.22Å | |
| N4 | S5 | sing | 1.68Å | 1.78Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| S5 | O6 | doub | 1.42Å | 1.61Å | |
| S5 | O7 | doub | 1.42Å | 1.63Å | |
| C11 | C12 | doub | 1.38Å | 1.47Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.47Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.47Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.47Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.38Å | 1.46Å | Aromatic |
| C14 | C21 | sing | 1.51Å | 1.50Å | |
| C15 | C16 | doub | 1.38Å | 1.46Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | N45 | sing | 1.47Å | 1.47Å | |
| C22 | C25 | sing | 1.51Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| N45 | S1 | sing | 1.66Å | 1.76Å | |
| N45 | H45 | sing | 0.97Å | 1.00Å | |
| S1 | O1 | doub | 1.42Å | 1.67Å | |
| S1 | O2 | doub | 1.42Å | 1.67Å | |
| S1 | C8 | sing | 1.76Å | 1.76Å | |
| C17 | C19 | doub | 1.38Å | 1.48Å | Aromatic |
| C17 | C6 | sing | 1.39Å | 1.48Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | C23 | sing | 1.39Å | 1.48Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | C4 | doub | 1.41Å | 1.47Å | Aromatic |
| C23 | N11 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.48Å | Aromatic |
| C4 | N13 | sing | 1.36Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.37Å | 1.48Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N11 | C25 | sing | 1.36Å | 1.41Å | Aromatic |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C25 | N13 | doub | 1.30Å | 1.41Å | Aromatic |
| C18 | O3 | sing | 1.42Å | 1.42Å | |
| C18 | C27 | sing | 1.53Å | 1.52Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| O3 | C24 | sing | 1.36Å | 1.34Å | |
| C24 | C26 | doub | 1.39Å | 1.47Å | Aromatic |
| C24 | C7 | sing | 1.39Å | 1.46Å | Aromatic |
| C26 | N5 | sing | 1.40Å | 1.41Å | |
| C26 | C10 | sing | 1.39Å | 1.46Å | Aromatic |
| N5 | C27 | sing | 1.46Å | 1.47Å | |
| N5 | C20 | sing | 1.47Å | 1.47Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | doub | 1.38Å | 1.46Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.47Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.46Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | S5 | 104.0° | 99.1° |
| C2 | C1 | C11 | 118.0° | 111.4° |
| C2 | C1 | H1 | 108.5° | 111.5° |
| C1 | C2 | C3 | 108.6° | 108.6° |
| C1 | C2 | H2C1 | 110.0° | 109.7° |
| C1 | C2 | H2C2 | 109.8° | 109.6° |
| S5 | C1 | C11 | 112.1° | 111.5° |
| S5 | C1 | H1 | 114.9° | 111.5° |
| C1 | S5 | N4 | 92.1° | 99.6° |
| C1 | S5 | O6 | 108.6° | 112.1° |
| C1 | S5 | O7 | 111.5° | 112.1° |
| C11 | C1 | H1 | 99.8° | 111.3° |
| C1 | C11 | C12 | 120.2° | 120.0° |
| C1 | C11 | C16 | 119.6° | 120.0° |
| C3 | C2 | H2C1 | 110.0° | 109.7° |
| C3 | C2 | H2C2 | 109.8° | 109.7° |
| C2 | C3 | N4 | 114.2° | 118.5° |
| C2 | C3 | O9 | 125.2° | 120.8° |
| H2C1 | C2 | H2C2 | 108.8° | 109.5° |
| N4 | C3 | O9 | 120.6° | 120.8° |
| C3 | N4 | S5 | 110.8° | 107.9° |
| C3 | N4 | H4 | 124.6° | 126.1° |
| S5 | N4 | H4 | 124.6° | 126.0° |
| N4 | S5 | O6 | 111.1° | 103.4° |
| N4 | S5 | O7 | 109.4° | 103.4° |
| O6 | S5 | O7 | 120.5° | 122.6° |
| C12 | C11 | C16 | 120.2° | 120.0° |
| C11 | C12 | C13 | 119.7° | 120.0° |
| C11 | C12 | H12 | 120.2° | 120.0° |
| C11 | C16 | C15 | 120.1° | 120.0° |
| C11 | C16 | H16 | 119.9° | 120.0° |
| C13 | C12 | H12 | 120.2° | 120.0° |
| C12 | C13 | C14 | 119.8° | 120.0° |
| C12 | C13 | H13 | 120.1° | 120.0° |
| C14 | C13 | H13 | 120.1° | 120.0° |
| C13 | C14 | C15 | 120.2° | 120.0° |
| C13 | C14 | C21 | 120.0° | 120.0° |
| C15 | C14 | C21 | 119.7° | 120.0° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C14 | C21 | C22 | 111.6° | 109.5° |
| C14 | C21 | H211 | 108.3° | 109.4° |
| C14 | C21 | H212 | 108.8° | 109.5° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C22 | C21 | H211 | 108.3° | 109.5° |
| C22 | C21 | H212 | 108.8° | 109.5° |
| C21 | C22 | N45 | 108.8° | 109.5° |
| C21 | C22 | C25 | 110.8° | 109.5° |
| C21 | C22 | H22 | 109.4° | 109.4° |
| H211 | C21 | H212 | 111.2° | 109.4° |
| N45 | C22 | C25 | 110.3° | 109.5° |
| N45 | C22 | H22 | 109.8° | 109.5° |
| C22 | N45 | S1 | 119.6° | 120.0° |
| C22 | N45 | H45 | 106.2° | 120.0° |
| C25 | C22 | H22 | 107.8° | 109.5° |
| C22 | C25 | N11 | 125.4° | 124.9° |
| C22 | C25 | N13 | 120.4° | 125.0° |
| S1 | N45 | H45 | 106.2° | 120.0° |
| N45 | S1 | O1 | 102.1° | 105.7° |
| N45 | S1 | O2 | 108.1° | 105.8° |
| N45 | S1 | C8 | 105.5° | 107.4° |
| O1 | S1 | O2 | 114.7° | 125.4° |
| O1 | S1 | C8 | 115.1° | 105.8° |
| O2 | S1 | C8 | 110.4° | 105.8° |
| S1 | C8 | C7 | 117.8° | 120.1° |
| S1 | C8 | C9 | 121.9° | 120.0° |
| C19 | C17 | C6 | 120.0° | 120.5° |
| C19 | C17 | H17 | 120.0° | 119.7° |
| C17 | C19 | C23 | 119.9° | 119.7° |
| C17 | C19 | H19 | 120.1° | 120.1° |
| C6 | C17 | H17 | 120.0° | 119.8° |
| C17 | C6 | C5 | 119.9° | 120.7° |
| C17 | C6 | H6 | 120.0° | 119.7° |
| C23 | C19 | H19 | 120.1° | 120.2° |
| C19 | C23 | C4 | 120.0° | 119.8° |
| C19 | C23 | N11 | 131.2° | 134.1° |
| C4 | C23 | N11 | 108.7° | 106.0° |
| C23 | C4 | C5 | 120.3° | 119.5° |
| C23 | C4 | N13 | 108.7° | 106.9° |
| C23 | N11 | C25 | 104.2° | 107.3° |
| C23 | N11 | H11 | 127.9° | 126.3° |
| C5 | C4 | N13 | 131.0° | 133.6° |
| C4 | C5 | C6 | 119.9° | 119.9° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C4 | N13 | C25 | 104.2° | 109.6° |
| C6 | C5 | H5 | 120.0° | 120.1° |
| C5 | C6 | H6 | 120.1° | 119.6° |
| C25 | N11 | H11 | 127.9° | 126.4° |
| N11 | C25 | N13 | 114.2° | 110.1° |
| O3 | C18 | C27 | 112.6° | 108.3° |
| O3 | C18 | H181 | 107.7° | 109.7° |
| O3 | C18 | H182 | 108.4° | 109.7° |
| C18 | O3 | C24 | 114.0° | 109.4° |
| C27 | C18 | H181 | 107.8° | 109.7° |
| C27 | C18 | H182 | 108.5° | 109.7° |
| C18 | C27 | N5 | 111.7° | 108.0° |
| C18 | C27 | H271 | 108.2° | 109.8° |
| C18 | C27 | H272 | 108.7° | 109.7° |
| H181 | C18 | H182 | 111.9° | 109.8° |
| O3 | C24 | C26 | 122.1° | 124.0° |
| O3 | C24 | C7 | 118.0° | 116.7° |
| C26 | C24 | C7 | 119.9° | 119.3° |
| C24 | C26 | N5 | 119.3° | 123.5° |
| C24 | C26 | C10 | 120.1° | 119.6° |
| C24 | C7 | C8 | 119.8° | 120.7° |
| C24 | C7 | H7 | 120.1° | 119.6° |
| N5 | C26 | C10 | 120.6° | 116.9° |
| C26 | N5 | C27 | 117.1° | 108.2° |
| C26 | N5 | C20 | 119.8° | 106.7° |
| C26 | C10 | C9 | 119.8° | 120.6° |
| C26 | C10 | H10 | 120.1° | 119.7° |
| C27 | N5 | C20 | 122.5° | 106.7° |
| N5 | C27 | H271 | 108.2° | 109.8° |
| N5 | C27 | H272 | 108.7° | 109.8° |
| N5 | C20 | H201 | 109.4° | 109.5° |
| N5 | C20 | H202 | 109.5° | 109.5° |
| N5 | C20 | H203 | 109.5° | 109.5° |
| H271 | C27 | H272 | 111.2° | 109.8° |
| C8 | C7 | H7 | 120.1° | 119.6° |
| C7 | C8 | C9 | 120.2° | 119.9° |
| C8 | C9 | C10 | 119.9° | 119.8° |
| C8 | C9 | H9 | 120.0° | 120.1° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C9 | C10 | H10 | 120.1° | 119.7° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | S5 | C11 | 128.5° | 117.4° |
| C2 | C1 | S5 | H1 | 118.4° | 117.5° |
| C2 | C1 | C11 | H1 | 117.2° | 125.1° |
| C1 | C2 | C3 | H2C1 | 120.4° | 119.9° |
| C1 | C2 | C3 | H2C2 | 120.0° | 119.8° |
| C1 | C2 | H2C1 | H2C2 | 120.2° | 120.4° |
| C1 | C2 | C3 | N4 | 22.0° | 19.1° |
| C1 | C2 | C3 | O9 | 157.6° | 160.9° |
| C2 | C1 | S5 | N4 | 28.0° | 21.8° |
| C2 | C1 | S5 | O6 | 141.1° | 86.9° |
| C2 | C1 | S5 | O7 | 83.8° | 130.6° |
| C2 | C1 | C11 | C12 | 36.7° | 124.5° |
| C2 | C1 | C11 | C16 | 145.0° | 55.6° |
| S5 | C1 | C11 | H1 | 122.1° | 125.2° |
| S5 | C1 | C2 | C3 | 32.3° | 23.9° |
| S5 | C1 | C2 | H2C1 | 152.7° | 143.8° |
| S5 | C1 | C2 | H2C2 | 87.7° | 95.9° |
| C1 | S5 | N4 | C3 | 17.2° | 13.0° |
| C1 | S5 | N4 | O6 | 110.9° | 115.6° |
| C1 | S5 | N4 | O7 | 113.7° | 115.6° |
| C1 | S5 | N4 | H4 | 162.8° | 166.9° |
| C1 | S5 | O6 | O7 | 130.3° | 137.9° |
| S5 | C1 | C11 | C12 | 84.0° | 125.8° |
| S5 | C1 | C11 | C16 | 94.2° | 54.1° |
| C11 | C1 | C2 | C3 | 157.1° | 93.6° |
| C11 | C1 | C2 | H2C1 | 82.5° | 26.3° |
| C11 | C1 | C2 | H2C2 | 37.1° | 146.6° |
| C11 | C1 | S5 | N4 | 156.5° | 95.6° |
| C11 | C1 | S5 | O6 | 90.4° | 155.6° |
| C11 | C1 | S5 | O7 | 44.7° | 13.2° |
| C1 | C11 | C12 | C16 | 178.2° | 179.9° |
| C1 | C11 | C12 | C13 | 178.0° | 180.0° |
| C1 | C11 | C12 | H12 | 2.0° | 0.1° |
| C1 | C11 | C16 | C15 | 178.1° | 179.8° |
| C1 | C11 | C16 | H16 | 1.9° | 0.1° |
| H1 | C1 | C2 | C3 | 90.4° | 141.5° |
| H1 | C1 | C2 | H2C1 | 29.9° | 98.6° |
| H1 | C1 | C2 | H2C2 | 149.6° | 21.7° |
| H1 | C1 | S5 | N4 | 90.5° | 139.3° |
| H1 | C1 | S5 | O6 | 22.7° | 30.5° |
| H1 | C1 | S5 | O7 | 157.7° | 111.9° |
| H1 | C1 | C11 | C12 | 153.9° | 0.6° |
| H1 | C1 | C11 | C16 | 27.9° | 179.4° |
| C3 | C2 | H2C1 | H2C2 | 120.2° | 120.4° |
| C2 | C3 | N4 | O9 | 179.6° | 180.0° |
| C2 | C3 | N4 | S5 | 0.1° | 1.7° |
| C2 | C3 | N4 | H4 | 179.8° | 178.4° |
| H2C1 | C2 | C3 | N4 | 142.4° | 138.9° |
| H2C1 | C2 | C3 | O9 | 37.2° | 41.0° |
| H2C2 | C2 | C3 | N4 | 98.0° | 100.7° |
| H2C2 | C2 | C3 | O9 | 82.4° | 79.3° |
| C3 | N4 | S5 | H4 | 180.0° | 179.9° |
| C3 | N4 | S5 | O6 | 128.1° | 102.6° |
| C3 | N4 | S5 | O7 | 96.5° | 128.6° |
| O9 | C3 | N4 | S5 | 179.5° | 178.2° |
| O9 | C3 | N4 | H4 | 0.6° | 1.7° |
| N4 | S5 | O6 | O7 | 129.8° | 115.8° |
| H4 | N4 | S5 | O6 | 51.9° | 77.4° |
| H4 | N4 | S5 | O7 | 83.5° | 51.3° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C11 | C16 | C15 | 0.1° | 0.2° |
| C12 | C11 | C16 | H16 | 179.9° | 180.0° |
| C16 | C11 | C12 | C13 | 0.2° | 0.1° |
| C16 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C16 | C15 | C14 | 0.0° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.8° |
| C11 | C16 | C15 | H15 | 180.0° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.3° |
| C12 | C13 | C14 | C21 | 178.7° | 180.0° |
| H12 | C12 | C13 | C14 | 179.9° | 179.9° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| C13 | C14 | C15 | C21 | 178.6° | 179.8° |
| C13 | C14 | C15 | C16 | 0.1° | 0.5° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C13 | C14 | C21 | C22 | 116.9° | 89.9° |
| C13 | C14 | C21 | H211 | 124.0° | 30.1° |
| C13 | C14 | C21 | H212 | 3.1° | 150.0° |
| H13 | C13 | C14 | C15 | 180.0° | 179.7° |
| H13 | C13 | C14 | C21 | 1.3° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.5° |
| C14 | C15 | C16 | H16 | 180.0° | 179.7° |
| C15 | C14 | C21 | C22 | 61.7° | 90.3° |
| C15 | C14 | C21 | H211 | 57.4° | 149.7° |
| C15 | C14 | C21 | H212 | 178.3° | 29.8° |
| C21 | C14 | C15 | C16 | 178.7° | 179.7° |
| C21 | C14 | C15 | H15 | 1.2° | 0.2° |
| C14 | C21 | C22 | H211 | 119.1° | 120.0° |
| C14 | C21 | C22 | H212 | 120.0° | 120.0° |
| C14 | C21 | H211 | H212 | 119.4° | 119.9° |
| C14 | C21 | C22 | N45 | 168.1° | 65.0° |
| C14 | C21 | C22 | C25 | 70.5° | 175.0° |
| C14 | C21 | C22 | H22 | 48.1° | 55.0° |
| H15 | C15 | C16 | H16 | 0.0° | 0.2° |
| C22 | C21 | H211 | H212 | 119.4° | 120.0° |
| C21 | C22 | N45 | C25 | 121.7° | 120.0° |
| C21 | C22 | N45 | H22 | 119.6° | 120.0° |
| C21 | C22 | C25 | H22 | 119.6° | 119.9° |
| C21 | C22 | N45 | S1 | 164.8° | 145.0° |
| C21 | C22 | N45 | H45 | 75.1° | 35.0° |
| C21 | C22 | C25 | N11 | 106.5° | 125.0° |
| C21 | C22 | C25 | N13 | 74.8° | 55.2° |
| H211 | C21 | C22 | N45 | 49.0° | 55.0° |
| H211 | C21 | C22 | C25 | 170.4° | 65.0° |
| H211 | C21 | C22 | H22 | 71.0° | 175.0° |
| H212 | C21 | C22 | N45 | 72.0° | 175.0° |
| H212 | C21 | C22 | C25 | 49.4° | 55.0° |
| H212 | C21 | C22 | H22 | 168.1° | 65.0° |
| N45 | C22 | C25 | H22 | 119.9° | 120.0° |
| C22 | N45 | S1 | H45 | 120.0° | 180.0° |
| C22 | N45 | S1 | O1 | 161.1° | 177.6° |
| C22 | N45 | S1 | O2 | 39.8° | 47.6° |
| C22 | N45 | S1 | C8 | 78.3° | 65.0° |
| N45 | C22 | C25 | N11 | 133.0° | 5.0° |
| N45 | C22 | C25 | N13 | 45.6° | 175.3° |
| C25 | C22 | N45 | S1 | 73.5° | 95.0° |
| C25 | C22 | N45 | H45 | 46.5° | 85.0° |
| C22 | C25 | N11 | C23 | 178.7° | 180.0° |
| C22 | C25 | N13 | C4 | 178.7° | 179.8° |
| C22 | C25 | N11 | N13 | 178.8° | 179.8° |
| C22 | C25 | N11 | H11 | 1.3° | 0.0° |
| H22 | C22 | N45 | S1 | 45.2° | 25.0° |
| H22 | C22 | N45 | H45 | 165.2° | 155.0° |
| H22 | C22 | C25 | N11 | 13.1° | 115.0° |
| H22 | C22 | C25 | N13 | 165.5° | 64.7° |
| N45 | S1 | O1 | O2 | 116.7° | 123.2° |
| N45 | S1 | O1 | C8 | 113.7° | 113.7° |
| N45 | S1 | O2 | C8 | 114.9° | 113.7° |
| N45 | S1 | C8 | C7 | 103.5° | 90.0° |
| N45 | S1 | C8 | C9 | 75.6° | 90.1° |
| H45 | N45 | S1 | O1 | 78.9° | 2.4° |
| H45 | N45 | S1 | O2 | 159.8° | 132.4° |
| H45 | N45 | S1 | C8 | 41.7° | 115.0° |
| O1 | S1 | O2 | C8 | 132.0° | 123.1° |
| O1 | S1 | C8 | C7 | 144.8° | 22.6° |
| O1 | S1 | C8 | C9 | 36.1° | 157.4° |
| O2 | S1 | C8 | C7 | 13.1° | 157.4° |
| O2 | S1 | C8 | C9 | 167.8° | 22.6° |
| S1 | C8 | C7 | C24 | 178.3° | 179.9° |
| S1 | C8 | C7 | C9 | 179.1° | 180.0° |
| S1 | C8 | C7 | H7 | 1.7° | 0.0° |
| S1 | C8 | C9 | C10 | 177.3° | 179.9° |
| S1 | C8 | C9 | H9 | 2.7° | 0.1° |
| C19 | C17 | C6 | H17 | 180.0° | 180.0° |
| C17 | C19 | C23 | H19 | 180.0° | 180.0° |
| C17 | C19 | C23 | C4 | 0.1° | 0.0° |
| C17 | C19 | C23 | N11 | 179.8° | 180.0° |
| C19 | C17 | C6 | C5 | 0.1° | 0.0° |
| C19 | C17 | C6 | H6 | 179.9° | 180.0° |
| C6 | C17 | C19 | C23 | 0.1° | 0.0° |
| C6 | C17 | C19 | H19 | 179.9° | 180.0° |
| C17 | C6 | C5 | C4 | 0.0° | 0.1° |
| C17 | C6 | C5 | H6 | 180.0° | 180.0° |
| C17 | C6 | C5 | H5 | 180.0° | 179.9° |
| H17 | C17 | C19 | C23 | 179.9° | 179.9° |
| H17 | C17 | C19 | H19 | 0.2° | 0.0° |
| H17 | C17 | C6 | C5 | 179.9° | 180.0° |
| H17 | C17 | C6 | H6 | 0.1° | 0.1° |
| C19 | C23 | C4 | N11 | 179.8° | 180.0° |
| C19 | C23 | C4 | C5 | 0.0° | 0.1° |
| C19 | C23 | C4 | N13 | 180.0° | 179.8° |
| C19 | C23 | N11 | C25 | 179.8° | 180.0° |
| C19 | C23 | N11 | H11 | 0.1° | 0.0° |
| H19 | C19 | C23 | C4 | 179.9° | 180.0° |
| H19 | C19 | C23 | N11 | 0.2° | 0.0° |
| C23 | C4 | C5 | N13 | 180.0° | 179.8° |
| C23 | C4 | C5 | C6 | 0.0° | 0.1° |
| C23 | C4 | C5 | H5 | 180.0° | 179.9° |
| C4 | C23 | N11 | C25 | 0.1° | 0.0° |
| C4 | C23 | N11 | H11 | 179.9° | 180.0° |
| C23 | C4 | N13 | C25 | 0.2° | 0.4° |
| N11 | C23 | C4 | C5 | 179.8° | 179.9° |
| N11 | C23 | C4 | N13 | 0.2° | 0.2° |
| C23 | N11 | C25 | H11 | 180.0° | 180.0° |
| C23 | N11 | C25 | N13 | 0.1° | 0.2° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | N13 | C25 | 179.8° | 179.8° |
| N13 | C4 | C5 | C6 | 180.0° | 179.7° |
| N13 | C4 | C5 | H5 | 0.0° | 0.3° |
| C4 | N13 | C25 | N11 | 0.2° | 0.4° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| H11 | N11 | C25 | N13 | 180.0° | 179.8° |
| O3 | C18 | C27 | H181 | 118.7° | 119.7° |
| O3 | C18 | C27 | H182 | 120.0° | 119.7° |
| O3 | C18 | H181 | H182 | 119.1° | 120.6° |
| C18 | O3 | C24 | C26 | 28.5° | 20.2° |
| C18 | O3 | C24 | C7 | 151.3° | 160.0° |
| O3 | C18 | C27 | N5 | 52.7° | 72.0° |
| O3 | C18 | C27 | H271 | 171.7° | 47.7° |
| O3 | C18 | C27 | H272 | 67.3° | 168.4° |
| C27 | C18 | H181 | H182 | 119.2° | 120.6° |
| C27 | C18 | O3 | C24 | 51.5° | 53.3° |
| C18 | C27 | N5 | C26 | 30.5° | 49.4° |
| C18 | C27 | N5 | H271 | 119.0° | 119.7° |
| C18 | C27 | N5 | H272 | 120.0° | 119.6° |
| C18 | C27 | N5 | C20 | 141.0° | 163.8° |
| C18 | C27 | H271 | H272 | 119.4° | 120.7° |
| H181 | C18 | O3 | C24 | 67.2° | 172.9° |
| H181 | C18 | C27 | N5 | 66.0° | 168.4° |
| H181 | C18 | C27 | H271 | 53.1° | 71.9° |
| H181 | C18 | C27 | H272 | 174.0° | 48.8° |
| H182 | C18 | O3 | C24 | 171.5° | 66.4° |
| H182 | C18 | C27 | N5 | 172.6° | 47.8° |
| H182 | C18 | C27 | H271 | 68.3° | 167.5° |
| H182 | C18 | C27 | H272 | 52.7° | 71.8° |
| O3 | C24 | C26 | C7 | 179.9° | 179.8° |
| O3 | C24 | C26 | N5 | 6.2° | 0.8° |
| O3 | C24 | C26 | C10 | 174.1° | 179.5° |
| O3 | C24 | C7 | C8 | 177.0° | 179.6° |
| O3 | C24 | C7 | H7 | 3.0° | 0.3° |
| C24 | C26 | N5 | C10 | 179.7° | 179.7° |
| C24 | C26 | N5 | C27 | 8.1° | 17.0° |
| C24 | C26 | N5 | C20 | 163.7° | 131.5° |
| C26 | C24 | C7 | C8 | 3.1° | 0.2° |
| C26 | C24 | C7 | H7 | 176.9° | 179.8° |
| C24 | C26 | C10 | C9 | 5.0° | 0.1° |
| C24 | C26 | C10 | H10 | 175.0° | 179.8° |
| C7 | C24 | C26 | N5 | 173.7° | 179.4° |
| C7 | C24 | C26 | C10 | 6.0° | 0.3° |
| C24 | C7 | C8 | H7 | 180.0° | 180.0° |
| C24 | C7 | C8 | C9 | 0.8° | 0.0° |
| C26 | N5 | C27 | C20 | 171.5° | 114.5° |
| C26 | N5 | C27 | H271 | 149.6° | 70.3° |
| C26 | N5 | C27 | H272 | 89.5° | 169.0° |
| N5 | C26 | C10 | C9 | 174.7° | 179.5° |
| N5 | C26 | C10 | H10 | 5.3° | 0.5° |
| C26 | N5 | C20 | H201 | 57.0° | 49.3° |
| C26 | N5 | C20 | H202 | 177.0° | 70.7° |
| C26 | N5 | C20 | H203 | 63.0° | 169.3° |
| C10 | C26 | N5 | C27 | 172.2° | 163.3° |
| C10 | C26 | N5 | C20 | 16.0° | 48.9° |
| C26 | C10 | C9 | C8 | 1.1° | 0.1° |
| C26 | C10 | C9 | H10 | 180.0° | 180.0° |
| C26 | C10 | C9 | H9 | 178.8° | 179.9° |
| N5 | C27 | H271 | H272 | 119.4° | 120.8° |
| C27 | N5 | C20 | H201 | 114.3° | 66.3° |
| C27 | N5 | C20 | H202 | 5.7° | 173.8° |
| C27 | N5 | C20 | H203 | 125.7° | 53.8° |
| C20 | N5 | C27 | H271 | 22.0° | 44.2° |
| C20 | N5 | C27 | H272 | 99.0° | 76.6° |
| N5 | C20 | H201 | H202 | 120.0° | 119.9° |
| N5 | C20 | H201 | H203 | 120.0° | 120.0° |
| N5 | C20 | H202 | H203 | 120.1° | 120.1° |
| C7 | C8 | C9 | C10 | 1.8° | 0.1° |
| C7 | C8 | C9 | H9 | 178.2° | 179.9° |
| H7 | C7 | C8 | C9 | 179.2° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 178.9° | 180.0° |
| H9 | C9 | C10 | H10 | 1.2° | 0.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
