MZ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F29 | C26 | sing | 1.35Å | 1.35Å | |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | C22 | sing | 1.40Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.50Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.48Å | 1.52Å | |
| C21 | O22 | doub | 1.21Å | 1.21Å | |
| C21 | N20 | sing | 1.35Å | 1.33Å | |
| N20 | C19 | sing | 1.47Å | 1.46Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C19 | C32 | sing | 1.53Å | 1.53Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | C38 | sing | 1.51Å | 1.52Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C38 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | O18 | sing | 1.43Å | 1.44Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| C16 | N11 | sing | 1.47Å | 1.48Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| N11 | S8 | sing | 1.66Å | 1.62Å | |
| N11 | C12 | sing | 1.46Å | 1.48Å | |
| C12 | C15 | sing | 1.51Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C15 | S1 | sing | 1.76Å | 1.68Å | Aromatic |
| C15 | C18 | doub | 1.33Å | 1.35Å | Aromatic |
| C18 | C14 | sing | 1.38Å | 1.43Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | doub | 1.33Å | 1.35Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | S1 | sing | 1.76Å | 1.67Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| S8 | O9 | doub | 1.42Å | 1.44Å | |
| S8 | O10 | doub | 1.42Å | 1.43Å | |
| S8 | C5 | sing | 1.76Å | 1.62Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | O19 | sing | 1.36Å | 1.39Å | |
| C7 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| O19 | C20 | sing | 1.43Å | 1.42Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F29 | C26 | C25 | 120.4° | 120.0° |
| F29 | C26 | C27 | 119.5° | 119.9° |
| C25 | C26 | C27 | 120.1° | 120.1° |
| C26 | C25 | C24 | 120.0° | 120.2° |
| C26 | C25 | H25 | 120.0° | 119.9° |
| C26 | C27 | C22 | 120.4° | 119.8° |
| C26 | C27 | C28 | 120.2° | 120.1° |
| C24 | C25 | H25 | 120.0° | 119.9° |
| C25 | C24 | C23 | 119.7° | 120.2° |
| C25 | C24 | H24 | 120.1° | 119.9° |
| C23 | C24 | H24 | 120.2° | 120.0° |
| C24 | C23 | C22 | 120.2° | 119.9° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C22 | C23 | H23 | 119.9° | 120.1° |
| C23 | C22 | C27 | 119.5° | 119.8° |
| C23 | C22 | C21 | 120.5° | 120.1° |
| C22 | C27 | C28 | 119.3° | 120.1° |
| C27 | C22 | C21 | 119.9° | 120.1° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.4° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H281 | C28 | H283 | 109.4° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| C22 | C21 | O22 | 116.5° | 120.0° |
| C22 | C21 | N20 | 121.2° | 120.0° |
| O22 | C21 | N20 | 122.3° | 120.0° |
| C21 | N20 | C19 | 124.5° | 120.0° |
| C21 | N20 | HN20 | 117.7° | 120.0° |
| C19 | N20 | HN20 | 117.8° | 120.0° |
| N20 | C19 | C32 | 103.9° | 109.5° |
| N20 | C19 | C17 | 110.9° | 109.5° |
| N20 | C19 | H19 | 112.6° | 109.4° |
| C32 | C19 | C17 | 110.9° | 109.5° |
| C32 | C19 | H19 | 112.7° | 109.5° |
| C19 | C32 | C38 | 110.3° | 109.6° |
| C19 | C32 | H321 | 109.2° | 109.5° |
| C19 | C32 | H322 | 109.0° | 109.5° |
| C17 | C19 | H19 | 106.0° | 109.5° |
| C19 | C17 | C16 | 112.2° | 109.5° |
| C19 | C17 | O18 | 111.7° | 109.5° |
| C19 | C17 | H17 | 105.2° | 109.5° |
| C38 | C32 | H321 | 109.2° | 109.4° |
| C38 | C32 | H322 | 109.0° | 109.5° |
| C32 | C38 | C37 | 120.3° | 120.0° |
| C32 | C38 | C33 | 120.1° | 120.0° |
| H321 | C32 | H322 | 110.1° | 109.4° |
| C37 | C38 | C33 | 119.6° | 120.0° |
| C38 | C37 | C36 | 119.6° | 120.0° |
| C38 | C37 | H37 | 120.2° | 120.0° |
| C38 | C33 | C34 | 120.8° | 120.0° |
| C38 | C33 | H33 | 119.6° | 120.0° |
| C36 | C37 | H37 | 120.2° | 120.0° |
| C37 | C36 | C35 | 121.0° | 120.0° |
| C37 | C36 | H36 | 119.5° | 120.0° |
| C35 | C36 | H36 | 119.5° | 120.0° |
| C36 | C35 | C34 | 119.5° | 120.0° |
| C36 | C35 | H35 | 120.2° | 120.0° |
| C34 | C35 | H35 | 120.3° | 120.0° |
| C35 | C34 | C33 | 119.4° | 120.0° |
| C35 | C34 | H34 | 120.3° | 120.0° |
| C33 | C34 | H34 | 120.3° | 120.0° |
| C34 | C33 | H33 | 119.6° | 120.0° |
| C16 | C17 | O18 | 106.8° | 109.4° |
| C16 | C17 | H17 | 110.3° | 109.5° |
| C17 | C16 | N11 | 109.1° | 109.4° |
| C17 | C16 | H161 | 109.6° | 109.5° |
| C17 | C16 | H162 | 109.7° | 109.5° |
| O18 | C17 | H17 | 110.7° | 109.5° |
| C17 | O18 | HO18 | 109.5° | 114.0° |
| N11 | C16 | H161 | 109.6° | 109.4° |
| N11 | C16 | H162 | 109.7° | 109.5° |
| C16 | N11 | S8 | 112.3° | 120.0° |
| C16 | N11 | C12 | 114.6° | 120.0° |
| H161 | C16 | H162 | 109.2° | 109.5° |
| S8 | N11 | C12 | 115.4° | 120.0° |
| N11 | S8 | O9 | 105.7° | 106.4° |
| N11 | S8 | O10 | 109.1° | 106.4° |
| N11 | S8 | C5 | 113.1° | 107.2° |
| N11 | C12 | C15 | 110.2° | 109.5° |
| N11 | C12 | H121 | 109.2° | 109.5° |
| N11 | C12 | H122 | 109.1° | 109.5° |
| C15 | C12 | H121 | 109.2° | 109.4° |
| C15 | C12 | H122 | 109.1° | 109.5° |
| C12 | C15 | S1 | 124.0° | 125.2° |
| C12 | C15 | C18 | 120.9° | 125.3° |
| H121 | C12 | H122 | 110.0° | 109.5° |
| S1 | C15 | C18 | 115.0° | 109.5° |
| C15 | S1 | C13 | 89.9° | 91.0° |
| C15 | C18 | C14 | 109.6° | 115.0° |
| C15 | C18 | H18 | 125.2° | 122.5° |
| C14 | C18 | H18 | 125.2° | 122.5° |
| C18 | C14 | C13 | 110.9° | 114.9° |
| C18 | C14 | H14 | 124.6° | 122.6° |
| C13 | C14 | H14 | 124.5° | 122.5° |
| C14 | C13 | S1 | 114.6° | 109.6° |
| C14 | C13 | H13 | 122.7° | 125.3° |
| S1 | C13 | H13 | 122.7° | 125.2° |
| O9 | S8 | O10 | 108.6° | 123.2° |
| O9 | S8 | C5 | 111.1° | 106.4° |
| O10 | S8 | C5 | 109.2° | 106.4° |
| S8 | C5 | C6 | 119.9° | 120.0° |
| S8 | C5 | C4 | 121.9° | 120.0° |
| C6 | C5 | C4 | 118.3° | 120.1° |
| C5 | C6 | C7 | 121.8° | 119.9° |
| C5 | C6 | H6 | 119.1° | 120.0° |
| C5 | C4 | C3 | 120.9° | 120.1° |
| C5 | C4 | H4 | 119.5° | 120.0° |
| C7 | C6 | H6 | 119.1° | 120.0° |
| C6 | C7 | O19 | 117.3° | 120.0° |
| C6 | C7 | C2 | 119.2° | 119.9° |
| O19 | C7 | C2 | 123.5° | 120.1° |
| C7 | O19 | C20 | 123.8° | 117.0° |
| C7 | C2 | C3 | 119.9° | 120.0° |
| C7 | C2 | H2 | 120.0° | 120.1° |
| O19 | C20 | H201 | 109.5° | 109.5° |
| O19 | C20 | H202 | 109.5° | 109.5° |
| O19 | C20 | H203 | 109.4° | 109.4° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| C3 | C2 | H2 | 120.1° | 120.0° |
| C2 | C3 | C4 | 119.9° | 120.0° |
| C2 | C3 | H3 | 120.1° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | H4 | 119.6° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F29 | C26 | C25 | C27 | 179.8° | 179.8° |
| F29 | C26 | C25 | C24 | 179.9° | 180.0° |
| F29 | C26 | C25 | H25 | 0.1° | 0.0° |
| F29 | C26 | C27 | C22 | 179.3° | 179.7° |
| F29 | C26 | C27 | C28 | 0.1° | 0.0° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.7° | 0.0° |
| C26 | C25 | C24 | H24 | 179.3° | 180.0° |
| C25 | C26 | C27 | C22 | 0.9° | 0.5° |
| C25 | C26 | C27 | C28 | 179.9° | 179.8° |
| C27 | C26 | C25 | C24 | 0.3° | 0.2° |
| C27 | C26 | C25 | H25 | 179.7° | 179.8° |
| C26 | C27 | C22 | C23 | 0.4° | 0.5° |
| C26 | C27 | C22 | C28 | 179.3° | 179.7° |
| C26 | C27 | C28 | H281 | 84.7° | 97.3° |
| C26 | C27 | C28 | H282 | 35.3° | 142.8° |
| C26 | C27 | C28 | H283 | 155.3° | 22.8° |
| C26 | C27 | C22 | C21 | 178.6° | 179.7° |
| C25 | C24 | C23 | H24 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 1.1° | 0.0° |
| C25 | C24 | C23 | H23 | 178.9° | 180.0° |
| H25 | C25 | C24 | C23 | 179.3° | 179.9° |
| H25 | C25 | C24 | H24 | 0.7° | 0.0° |
| C24 | C23 | C22 | H23 | 180.0° | 180.0° |
| C24 | C23 | C22 | C27 | 0.6° | 0.3° |
| C24 | C23 | C22 | C21 | 177.6° | 180.0° |
| H24 | C24 | C23 | C22 | 178.8° | 180.0° |
| H24 | C24 | C23 | H23 | 1.1° | 0.0° |
| C23 | C22 | C27 | C21 | 178.2° | 179.7° |
| C23 | C22 | C27 | C28 | 179.7° | 179.8° |
| C23 | C22 | C21 | O22 | 108.2° | 177.5° |
| C23 | C22 | C21 | N20 | 71.2° | 2.6° |
| H23 | C23 | C22 | C27 | 179.5° | 179.8° |
| H23 | C23 | C22 | C21 | 2.3° | 0.0° |
| C22 | C27 | C28 | H281 | 94.6° | 82.4° |
| C22 | C27 | C28 | H282 | 145.4° | 37.5° |
| C22 | C27 | C28 | H283 | 25.4° | 157.5° |
| C27 | C22 | C21 | O22 | 70.0° | 2.8° |
| C27 | C22 | C21 | N20 | 110.6° | 177.2° |
| C27 | C28 | H281 | H282 | 120.0° | 119.9° |
| C27 | C28 | H281 | H283 | 120.0° | 120.1° |
| C27 | C28 | H282 | H283 | 120.0° | 120.1° |
| C28 | C27 | C22 | C21 | 2.1° | 0.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| C22 | C21 | O22 | N20 | 179.4° | 179.9° |
| C22 | C21 | N20 | C19 | 178.2° | 180.0° |
| C22 | C21 | N20 | HN20 | 1.8° | 0.1° |
| O22 | C21 | N20 | C19 | 1.2° | 0.1° |
| O22 | C21 | N20 | HN20 | 178.8° | 180.0° |
| C21 | N20 | C19 | HN20 | 180.0° | 179.9° |
| C21 | N20 | C19 | C32 | 133.5° | 84.9° |
| C21 | N20 | C19 | C17 | 107.4° | 155.0° |
| C21 | N20 | C19 | H19 | 11.2° | 35.0° |
| N20 | C19 | C32 | C17 | 119.2° | 120.0° |
| N20 | C19 | C32 | H19 | 122.3° | 119.9° |
| N20 | C19 | C17 | H19 | 122.5° | 120.0° |
| N20 | C19 | C32 | C38 | 59.1° | 65.0° |
| N20 | C19 | C32 | H321 | 60.9° | 55.0° |
| N20 | C19 | C32 | H322 | 178.8° | 175.0° |
| N20 | C19 | C17 | C16 | 172.3° | 175.0° |
| N20 | C19 | C17 | O18 | 67.8° | 65.0° |
| N20 | C19 | C17 | H17 | 52.4° | 55.0° |
| HN20 | N20 | C19 | C32 | 46.5° | 95.0° |
| HN20 | N20 | C19 | C17 | 72.6° | 25.0° |
| HN20 | N20 | C19 | H19 | 168.8° | 145.1° |
| C32 | C19 | C17 | H19 | 122.6° | 120.0° |
| C19 | C32 | C38 | H321 | 120.0° | 120.0° |
| C19 | C32 | C38 | H322 | 119.7° | 120.1° |
| C19 | C32 | H321 | H322 | 119.7° | 120.0° |
| C19 | C32 | C38 | C37 | 70.7° | 90.0° |
| C19 | C32 | C38 | C33 | 109.6° | 90.3° |
| C32 | C19 | C17 | C16 | 72.8° | 65.0° |
| C32 | C19 | C17 | O18 | 47.1° | 55.0° |
| C32 | C19 | C17 | H17 | 167.3° | 175.0° |
| C17 | C19 | C32 | C38 | 178.3° | 175.0° |
| C17 | C19 | C32 | H321 | 58.3° | 65.0° |
| C17 | C19 | C32 | H322 | 62.1° | 54.9° |
| C19 | C17 | C16 | O18 | 122.7° | 120.0° |
| C19 | C17 | C16 | H17 | 116.9° | 120.0° |
| C19 | C17 | O18 | H17 | 116.9° | 120.0° |
| C19 | C17 | O18 | HO18 | 17.7° | 64.9° |
| C19 | C17 | C16 | N11 | 71.5° | 177.5° |
| C19 | C17 | C16 | H161 | 48.4° | 57.5° |
| C19 | C17 | C16 | H162 | 168.3° | 62.5° |
| H19 | C19 | C32 | C38 | 63.1° | 55.0° |
| H19 | C19 | C32 | H321 | 176.9° | 175.0° |
| H19 | C19 | C32 | H322 | 56.5° | 65.1° |
| H19 | C19 | C17 | C16 | 49.8° | 55.1° |
| H19 | C19 | C17 | O18 | 169.7° | 175.0° |
| H19 | C19 | C17 | H17 | 70.1° | 65.0° |
| C38 | C32 | H321 | H322 | 119.6° | 120.0° |
| C32 | C38 | C37 | C33 | 179.7° | 179.8° |
| C32 | C38 | C37 | C36 | 179.5° | 179.9° |
| C32 | C38 | C37 | H37 | 0.5° | 0.0° |
| C32 | C38 | C33 | C34 | 179.7° | 179.7° |
| C32 | C38 | C33 | H33 | 0.3° | 0.0° |
| H321 | C32 | C38 | C37 | 169.3° | 30.1° |
| H321 | C32 | C38 | C33 | 10.4° | 149.7° |
| H322 | C32 | C38 | C37 | 49.0° | 150.0° |
| H322 | C32 | C38 | C33 | 130.8° | 29.8° |
| C38 | C37 | C36 | H37 | 180.0° | 179.9° |
| C38 | C37 | C36 | C35 | 0.2° | 0.0° |
| C38 | C37 | C36 | H36 | 179.8° | 180.0° |
| C37 | C38 | C33 | C34 | 0.0° | 0.5° |
| C37 | C38 | C33 | H33 | 180.0° | 179.8° |
| C33 | C38 | C37 | C36 | 0.3° | 0.3° |
| C33 | C38 | C37 | H37 | 179.8° | 179.8° |
| C38 | C33 | C34 | C35 | 0.2° | 0.4° |
| C38 | C33 | C34 | H33 | 180.0° | 179.7° |
| C38 | C33 | C34 | H34 | 179.8° | 179.7° |
| C37 | C36 | C35 | H36 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.0° | 0.0° |
| C37 | C36 | C35 | H35 | 180.0° | 180.0° |
| H37 | C37 | C36 | C35 | 179.8° | 179.9° |
| H37 | C37 | C36 | H36 | 0.2° | 0.0° |
| C36 | C35 | C34 | H35 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.3° | 0.2° |
| C36 | C35 | C34 | H34 | 179.7° | 180.0° |
| H36 | C36 | C35 | C34 | 180.0° | 180.0° |
| H36 | C36 | C35 | H35 | 0.1° | 0.0° |
| C35 | C34 | C33 | H34 | 180.0° | 179.9° |
| C35 | C34 | C33 | H33 | 179.8° | 179.8° |
| H35 | C35 | C34 | C33 | 179.7° | 179.8° |
| H35 | C35 | C34 | H34 | 0.3° | 0.0° |
| H34 | C34 | C33 | H33 | 0.2° | 0.0° |
| C16 | C17 | O18 | H17 | 120.1° | 120.0° |
| C16 | C17 | O18 | HO18 | 140.7° | 55.1° |
| C17 | C16 | N11 | H161 | 120.0° | 119.9° |
| C17 | C16 | N11 | H162 | 120.2° | 120.0° |
| C17 | C16 | H161 | H162 | 120.1° | 120.0° |
| C17 | C16 | N11 | S8 | 119.4° | 114.6° |
| C17 | C16 | N11 | C12 | 106.5° | 65.5° |
| O18 | C17 | C16 | N11 | 165.7° | 62.5° |
| O18 | C17 | C16 | H161 | 74.3° | 177.5° |
| O18 | C17 | C16 | H162 | 45.6° | 57.5° |
| H17 | C17 | O18 | HO18 | 99.2° | 175.1° |
| H17 | C17 | C16 | N11 | 45.4° | 57.4° |
| H17 | C17 | C16 | H161 | 165.3° | 62.5° |
| H17 | C17 | C16 | H162 | 74.8° | 177.5° |
| N11 | C16 | H161 | H162 | 120.2° | 120.1° |
| C16 | N11 | S8 | C12 | 133.8° | 179.9° |
| C16 | N11 | C12 | C15 | 97.4° | 81.8° |
| C16 | N11 | C12 | H121 | 142.6° | 158.2° |
| C16 | N11 | C12 | H122 | 22.3° | 38.2° |
| C16 | N11 | S8 | O9 | 153.3° | 156.4° |
| C16 | N11 | S8 | O10 | 36.6° | 23.5° |
| C16 | N11 | S8 | C5 | 85.1° | 90.0° |
| H161 | C16 | N11 | S8 | 0.6° | 125.5° |
| H161 | C16 | N11 | C12 | 133.6° | 54.5° |
| H162 | C16 | N11 | S8 | 120.5° | 5.4° |
| H162 | C16 | N11 | C12 | 13.7° | 174.5° |
| S8 | N11 | C12 | C15 | 129.8° | 98.1° |
| S8 | N11 | C12 | H121 | 9.8° | 21.9° |
| S8 | N11 | C12 | H122 | 110.5° | 141.9° |
| N11 | S8 | O9 | O10 | 117.0° | 122.9° |
| N11 | S8 | O9 | C5 | 123.0° | 114.1° |
| N11 | S8 | O10 | C5 | 124.0° | 114.1° |
| N11 | S8 | C5 | C6 | 83.8° | 90.0° |
| N11 | S8 | C5 | C4 | 96.6° | 90.2° |
| N11 | C12 | C15 | H121 | 120.0° | 120.0° |
| N11 | C12 | C15 | H122 | 119.7° | 120.0° |
| N11 | C12 | H121 | H122 | 119.7° | 120.0° |
| N11 | C12 | C15 | S1 | 45.5° | 85.1° |
| N11 | C12 | C15 | C18 | 133.9° | 95.2° |
| C12 | N11 | S8 | O9 | 72.9° | 23.5° |
| C12 | N11 | S8 | O10 | 170.4° | 156.5° |
| C12 | N11 | S8 | C5 | 48.7° | 90.0° |
| C15 | C12 | H121 | H122 | 119.7° | 120.0° |
| C12 | C15 | S1 | C18 | 179.4° | 179.8° |
| C12 | C15 | C18 | C14 | 179.7° | 180.0° |
| C12 | C15 | C18 | H18 | 0.3° | 0.0° |
| C12 | C15 | S1 | C13 | 179.9° | 179.9° |
| H121 | C12 | C15 | S1 | 74.6° | 154.9° |
| H121 | C12 | C15 | C18 | 106.1° | 24.8° |
| H122 | C12 | C15 | S1 | 165.2° | 34.9° |
| H122 | C12 | C15 | C18 | 14.2° | 144.8° |
| S1 | C15 | C18 | C14 | 0.3° | 0.2° |
| S1 | C15 | C18 | H18 | 179.7° | 179.8° |
| C15 | S1 | C13 | C14 | 0.6° | 0.3° |
| C15 | S1 | C13 | H13 | 179.4° | 179.9° |
| C15 | C18 | C14 | H18 | 180.0° | 180.0° |
| C15 | C18 | C14 | C13 | 0.2° | 0.0° |
| C15 | C18 | C14 | H14 | 179.8° | 180.0° |
| C18 | C15 | S1 | C13 | 0.5° | 0.3° |
| C18 | C14 | C13 | H14 | 180.0° | 180.0° |
| C18 | C14 | C13 | S1 | 0.6° | 0.2° |
| C18 | C14 | C13 | H13 | 179.4° | 180.0° |
| H18 | C18 | C14 | C13 | 179.8° | 180.0° |
| H18 | C18 | C14 | H14 | 0.2° | 0.0° |
| C14 | C13 | S1 | H13 | 180.0° | 179.8° |
| H14 | C14 | C13 | S1 | 179.4° | 179.8° |
| H14 | C14 | C13 | H13 | 0.6° | 0.0° |
| O9 | S8 | O10 | C5 | 121.2° | 123.0° |
| O9 | S8 | C5 | C6 | 34.8° | 23.6° |
| O9 | S8 | C5 | C4 | 144.8° | 156.2° |
| O10 | S8 | C5 | C6 | 154.5° | 156.5° |
| O10 | S8 | C5 | C4 | 25.0° | 23.3° |
| S8 | C5 | C6 | C4 | 179.6° | 179.8° |
| S8 | C5 | C6 | C7 | 179.7° | 180.0° |
| S8 | C5 | C6 | H6 | 0.3° | 0.0° |
| S8 | C5 | C4 | C3 | 179.8° | 179.7° |
| S8 | C5 | C4 | H4 | 0.2° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | O19 | 179.9° | 179.9° |
| C5 | C6 | C7 | C2 | 0.4° | 0.1° |
| C6 | C5 | C4 | C3 | 0.6° | 0.5° |
| C6 | C5 | C4 | H4 | 179.3° | 179.7° |
| C4 | C5 | C6 | C7 | 0.7° | 0.2° |
| C4 | C5 | C6 | H6 | 179.3° | 179.8° |
| C5 | C4 | C3 | C2 | 0.6° | 0.5° |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C5 | C4 | C3 | H3 | 179.4° | 179.7° |
| C6 | C7 | O19 | C2 | 179.6° | 180.0° |
| C6 | C7 | O19 | C20 | 174.1° | 180.0° |
| C6 | C7 | C2 | C3 | 1.6° | 0.0° |
| C6 | C7 | C2 | H2 | 178.4° | 180.0° |
| H6 | C6 | C7 | O19 | 0.1° | 0.0° |
| H6 | C6 | C7 | C2 | 179.6° | 180.0° |
| C7 | O19 | C20 | H201 | 53.5° | 60.0° |
| C7 | O19 | C20 | H202 | 173.4° | 180.0° |
| C7 | O19 | C20 | H203 | 66.5° | 60.0° |
| O19 | C7 | C2 | C3 | 178.7° | 179.9° |
| O19 | C7 | C2 | H2 | 1.2° | 0.0° |
| C2 | C7 | O19 | C20 | 6.3° | 0.0° |
| C7 | C2 | C3 | H2 | 180.0° | 180.0° |
| C7 | C2 | C3 | C4 | 1.7° | 0.2° |
| C7 | C2 | C3 | H3 | 178.3° | 180.0° |
| O19 | C20 | H201 | H202 | 120.0° | 120.0° |
| O19 | C20 | H201 | H203 | 120.0° | 120.0° |
| O19 | C20 | H202 | H203 | 120.0° | 120.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | H4 | 179.4° | 179.7° |
| H2 | C2 | C3 | C4 | 178.3° | 179.8° |
| H2 | C2 | C3 | H3 | 1.7° | 0.0° |
| H3 | C3 | C4 | H4 | 0.6° | 0.1° |
