I03
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.47Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| C2 | C7 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.38Å | 1.45Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | C5 | doub | 1.39Å | 1.44Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C5 | C6 | sing | 1.39Å | 1.45Å | Aromatic |
| C5 | F1 | sing | 1.34Å | 1.33Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | N1 | sing | 1.45Å | 1.46Å | |
| C7 | C17 | sing | 1.53Å | 1.56Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| N1 | C8 | sing | 1.40Å | 1.37Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| C8 | C9 | sing | 1.45Å | 1.49Å | |
| C8 | O1 | doub | 1.24Å | 1.23Å | |
| C9 | C14 | doub | 1.40Å | 1.43Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.46Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.45Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C18 | sing | 1.48Å | 1.46Å | |
| C12 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | N2 | sing | 1.43Å | 1.39Å | |
| C13 | C14 | sing | 1.39Å | 1.44Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| N2 | C16 | sing | 1.49Å | 1.47Å | |
| N2 | S1 | sing | 1.73Å | 1.62Å | |
| S1 | C15 | sing | 1.78Å | 1.79Å | |
| S1 | O3 | doub | 1.45Å | 1.43Å | |
| S1 | O2 | doub | 1.45Å | 1.43Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C17 | H173 | sing | 1.10Å | 1.10Å | |
| C18 | O5 | doub | 1.22Å | 1.19Å | |
| C18 | O4 | sing | 1.36Å | 1.35Å | |
| O4 | C19 | sing | 1.42Å | 1.49Å | |
| C19 | C20 | sing | 1.54Å | 1.50Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.10Å | 1.10Å | |
| C20 | C22 | sing | 1.56Å | 1.54Å | |
| C20 | C21 | sing | 1.54Å | 1.51Å | |
| C20 | N3 | sing | 1.48Å | 1.46Å | |
| N3 | HN31 | sing | 0.99Å | 1.00Å | |
| N3 | HN32 | sing | 0.99Å | 1.00Å | |
| C21 | O6 | sing | 1.42Å | 1.30Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C22 | C26 | sing | 1.51Å | 1.51Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| C23 | C28 | sing | 1.39Å | 1.46Å | Aromatic |
| C23 | C24 | doub | 1.40Å | 1.46Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C24 | C25 | sing | 1.39Å | 1.45Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.47Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C26 | C27 | sing | 1.38Å | 1.46Å | Aromatic |
| C27 | C28 | doub | 1.39Å | 1.46Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.1° | 119.2° |
| C2 | C1 | H1 | 120.9° | 121.3° |
| C1 | C2 | C7 | 120.1° | 119.2° |
| C1 | C2 | C3 | 123.8° | 121.6° |
| C6 | C1 | H1 | 121.0° | 119.5° |
| C1 | C6 | C5 | 117.3° | 120.0° |
| C1 | C6 | H6 | 121.4° | 120.0° |
| C7 | C2 | C3 | 116.1° | 119.2° |
| C2 | C7 | N1 | 113.7° | 111.5° |
| C2 | C7 | C17 | 111.1° | 112.5° |
| C2 | C7 | H7 | 104.9° | 109.1° |
| C2 | C3 | C4 | 117.7° | 119.2° |
| C2 | C3 | H3 | 121.1° | 121.3° |
| C4 | C3 | H3 | 121.1° | 119.5° |
| C3 | C4 | C5 | 117.3° | 120.0° |
| C3 | C4 | H4 | 121.4° | 120.0° |
| C5 | C4 | H4 | 121.4° | 120.0° |
| C4 | C5 | C6 | 125.5° | 120.0° |
| C4 | C5 | F1 | 118.4° | 120.0° |
| C6 | C5 | F1 | 116.1° | 120.0° |
| C5 | C6 | H6 | 121.4° | 120.0° |
| N1 | C7 | C17 | 108.1° | 110.1° |
| N1 | C7 | H7 | 108.1° | 105.5° |
| C7 | N1 | C8 | 124.4° | 123.6° |
| C7 | N1 | HN1 | 117.8° | 117.0° |
| C17 | C7 | H7 | 110.9° | 107.8° |
| C7 | C17 | H171 | 109.5° | 111.1° |
| C7 | C17 | H172 | 109.5° | 110.5° |
| C7 | C17 | H173 | 109.5° | 112.0° |
| C8 | N1 | HN1 | 117.8° | 119.3° |
| N1 | C8 | C9 | 116.8° | 117.0° |
| N1 | C8 | O1 | 120.7° | 122.5° |
| C9 | C8 | O1 | 122.5° | 120.5° |
| C8 | C9 | C14 | 116.0° | 120.0° |
| C8 | C9 | C10 | 126.1° | 120.0° |
| C14 | C9 | C10 | 117.9° | 120.0° |
| C9 | C14 | C13 | 122.4° | 120.0° |
| C9 | C14 | H14 | 118.8° | 120.0° |
| C9 | C10 | C11 | 119.7° | 118.9° |
| C9 | C10 | H10 | 120.2° | 120.0° |
| C11 | C10 | H10 | 120.1° | 121.1° |
| C10 | C11 | C12 | 120.0° | 122.2° |
| C10 | C11 | C18 | 125.2° | 118.9° |
| C12 | C11 | C18 | 114.8° | 118.9° |
| C11 | C12 | C13 | 121.9° | 118.9° |
| C11 | C12 | H12 | 119.0° | 121.1° |
| C11 | C18 | O5 | 124.3° | 123.2° |
| C11 | C18 | O4 | 111.4° | 110.8° |
| C13 | C12 | H12 | 119.0° | 120.0° |
| C12 | C13 | N2 | 117.1° | 119.9° |
| C12 | C13 | C14 | 118.1° | 120.1° |
| N2 | C13 | C14 | 124.8° | 120.0° |
| C13 | N2 | C16 | 122.2° | 117.5° |
| C13 | N2 | S1 | 123.4° | 117.4° |
| C13 | C14 | H14 | 118.8° | 120.0° |
| C16 | N2 | S1 | 113.9° | 117.5° |
| N2 | C16 | H161 | 109.5° | 110.0° |
| N2 | C16 | H162 | 109.5° | 110.2° |
| N2 | C16 | H163 | 109.5° | 110.2° |
| N2 | S1 | C15 | 108.9° | 101.4° |
| N2 | S1 | O3 | 104.1° | 109.9° |
| N2 | S1 | O2 | 107.1° | 109.4° |
| C15 | S1 | O3 | 107.6° | 107.4° |
| C15 | S1 | O2 | 108.6° | 106.8° |
| S1 | C15 | H151 | 109.5° | 108.4° |
| S1 | C15 | H152 | 109.4° | 108.4° |
| S1 | C15 | H153 | 109.4° | 108.4° |
| O3 | S1 | O2 | 120.2° | 120.1° |
| H151 | C15 | H152 | 109.5° | 110.5° |
| H151 | C15 | H153 | 109.5° | 110.5° |
| H152 | C15 | H153 | 109.5° | 110.5° |
| H161 | C16 | H162 | 109.5° | 108.8° |
| H161 | C16 | H163 | 109.4° | 108.8° |
| H162 | C16 | H163 | 109.5° | 108.7° |
| H171 | C17 | H172 | 109.5° | 108.0° |
| H171 | C17 | H173 | 109.4° | 108.0° |
| H172 | C17 | H173 | 109.5° | 107.1° |
| O5 | C18 | O4 | 124.3° | 126.0° |
| C18 | O4 | C19 | 122.9° | 116.0° |
| O4 | C19 | C20 | 107.6° | 112.3° |
| O4 | C19 | H191 | 110.1° | 107.4° |
| O4 | C19 | H192 | 110.5° | 108.0° |
| C20 | C19 | H191 | 110.1° | 110.8° |
| C20 | C19 | H192 | 110.5° | 111.4° |
| C19 | C20 | C22 | 114.0° | 113.3° |
| C19 | C20 | C21 | 102.3° | 108.6° |
| C19 | C20 | N3 | 108.8° | 107.3° |
| H191 | C19 | H192 | 108.0° | 106.7° |
| C22 | C20 | C21 | 113.7° | 113.3° |
| C22 | C20 | N3 | 109.1° | 107.2° |
| C20 | C22 | C26 | 119.4° | 116.1° |
| C20 | C22 | H221 | 106.3° | 110.0° |
| C20 | C22 | H222 | 104.0° | 110.0° |
| C21 | C20 | N3 | 108.6° | 106.8° |
| C20 | C21 | O6 | 109.2° | 111.2° |
| C20 | C21 | H211 | 109.6° | 111.0° |
| C20 | C21 | H212 | 109.6° | 110.9° |
| C20 | N3 | HN31 | 109.5° | 117.2° |
| C20 | N3 | HN32 | 109.5° | 117.2° |
| HN31 | N3 | HN32 | 109.5° | 124.1° |
| O6 | C21 | H211 | 109.6° | 108.1° |
| O6 | C21 | H212 | 109.6° | 108.1° |
| C21 | O6 | HO6 | 109.5° | 106.7° |
| H211 | C21 | H212 | 109.2° | 107.3° |
| C26 | C22 | H221 | 106.3° | 107.9° |
| C26 | C22 | H222 | 104.0° | 107.9° |
| C22 | C26 | C25 | 119.0° | 119.2° |
| C22 | C26 | C27 | 118.6° | 119.3° |
| H221 | C22 | H222 | 117.7° | 104.3° |
| C28 | C23 | C24 | 122.5° | 120.0° |
| C28 | C23 | H23 | 118.8° | 120.0° |
| C23 | C28 | C27 | 118.6° | 120.0° |
| C23 | C28 | H28 | 120.7° | 120.0° |
| C24 | C23 | H23 | 118.7° | 120.0° |
| C23 | C24 | C25 | 119.0° | 120.0° |
| C23 | C24 | H24 | 120.5° | 120.0° |
| C25 | C24 | H24 | 120.5° | 120.0° |
| C24 | C25 | C26 | 118.7° | 119.2° |
| C24 | C25 | H25 | 120.7° | 119.5° |
| C26 | C25 | H25 | 120.7° | 121.3° |
| C25 | C26 | C27 | 122.3° | 121.5° |
| C26 | C27 | C28 | 118.8° | 119.3° |
| C26 | C27 | H27 | 120.6° | 121.3° |
| C28 | C27 | H27 | 120.6° | 119.5° |
| C27 | C28 | H28 | 120.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C7 | C3 | 179.1° | 179.9° |
| C1 | C2 | C3 | C4 | 0.9° | 0.1° |
| C1 | C2 | C3 | H3 | 179.1° | 180.0° |
| C2 | C1 | C6 | C5 | 4.5° | 0.0° |
| C2 | C1 | C6 | H6 | 175.5° | 180.0° |
| C1 | C2 | C7 | N1 | 63.9° | 34.3° |
| C1 | C2 | C7 | C17 | 58.3° | 90.0° |
| C1 | C2 | C7 | H7 | 178.1° | 150.4° |
| C6 | C1 | C2 | C7 | 174.1° | 180.0° |
| C6 | C1 | C2 | C3 | 5.0° | 0.1° |
| C1 | C6 | C5 | C4 | 0.4° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | F1 | 179.4° | 180.0° |
| H1 | C1 | C2 | C7 | 5.9° | 0.1° |
| H1 | C1 | C2 | C3 | 175.0° | 180.0° |
| H1 | C1 | C6 | C5 | 175.5° | 180.0° |
| H1 | C1 | C6 | H6 | 4.6° | 0.1° |
| C7 | C2 | C3 | C4 | 178.2° | 180.0° |
| C7 | C2 | C3 | H3 | 1.8° | 0.1° |
| C2 | C7 | N1 | C17 | 123.8° | 125.7° |
| C2 | C7 | N1 | H7 | 116.1° | 118.3° |
| C2 | C7 | C17 | H7 | 116.3° | 120.4° |
| C2 | C7 | N1 | C8 | 102.6° | 88.3° |
| C2 | C7 | N1 | HN1 | 77.5° | 87.6° |
| C2 | C7 | C17 | H171 | 167.3° | 116.4° |
| C2 | C7 | C17 | H172 | 47.3° | 123.7° |
| C2 | C7 | C17 | H173 | 72.8° | 4.4° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 3.1° | 0.0° |
| C2 | C3 | C4 | H4 | 176.9° | 180.0° |
| C3 | C2 | C7 | N1 | 116.9° | 145.7° |
| C3 | C2 | C7 | C17 | 120.9° | 90.0° |
| C3 | C2 | C7 | H7 | 1.0° | 29.5° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 3.6° | NaN° |
| C3 | C4 | C5 | F1 | 175.4° | 180.0° |
| H3 | C3 | C4 | C5 | 176.9° | 180.0° |
| H3 | C3 | C4 | H4 | 3.1° | 0.1° |
| C4 | C5 | C6 | F1 | 179.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| H4 | C4 | C5 | C6 | 176.4° | 180.0° |
| H4 | C4 | C5 | F1 | 4.6° | 0.0° |
| F1 | C5 | C6 | H6 | 0.6° | 0.0° |
| N1 | C7 | C17 | H7 | 118.4° | 114.6° |
| C7 | N1 | C8 | HN1 | 180.0° | 175.7° |
| C7 | N1 | C8 | C9 | 178.8° | 178.9° |
| C7 | N1 | C8 | O1 | 0.7° | 0.1° |
| N1 | C7 | C17 | H171 | 67.4° | 8.7° |
| N1 | C7 | C17 | H172 | 172.6° | 111.2° |
| N1 | C7 | C17 | H173 | 52.6° | 129.5° |
| C17 | C7 | N1 | C8 | 133.6° | 146.1° |
| C17 | C7 | N1 | HN1 | 46.4° | 38.1° |
| C7 | C17 | H171 | H172 | 120.0° | 121.3° |
| C7 | C17 | H171 | H173 | 120.0° | 123.1° |
| C7 | C17 | H172 | H173 | 120.0° | 122.2° |
| H7 | C7 | N1 | C8 | 13.5° | 30.0° |
| H7 | C7 | N1 | HN1 | 166.5° | 154.1° |
| H7 | C7 | C17 | H171 | 51.0° | 123.2° |
| H7 | C7 | C17 | H172 | 69.0° | 3.4° |
| H7 | C7 | C17 | H173 | 171.0° | 115.9° |
| N1 | C8 | C9 | O1 | 179.5° | 179.0° |
| N1 | C8 | C9 | C14 | 139.7° | 153.0° |
| N1 | C8 | C9 | C10 | 37.8° | 27.0° |
| HN1 | N1 | C8 | C9 | 1.2° | 3.1° |
| HN1 | N1 | C8 | O1 | 179.3° | 175.8° |
| C8 | C9 | C14 | C10 | 177.7° | 180.0° |
| C8 | C9 | C10 | C11 | 176.5° | 180.0° |
| C8 | C9 | C10 | H10 | 3.5° | 0.0° |
| C8 | C9 | C14 | C13 | 175.9° | 180.0° |
| C8 | C9 | C14 | H14 | 4.1° | 0.0° |
| O1 | C8 | C9 | C14 | 39.8° | 28.0° |
| O1 | C8 | C9 | C10 | 142.7° | 151.9° |
| C14 | C9 | C10 | C11 | 1.0° | 0.0° |
| C14 | C9 | C10 | H10 | 179.0° | 180.0° |
| C9 | C14 | C13 | C12 | 0.6° | 0.1° |
| C9 | C14 | C13 | N2 | 179.6° | 180.0° |
| C9 | C14 | C13 | H14 | 180.0° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 1.0° | 0.0° |
| C9 | C10 | C11 | C18 | 175.9° | 179.9° |
| C10 | C9 | C14 | C13 | 1.8° | 0.0° |
| C10 | C9 | C14 | H14 | 178.2° | 180.0° |
| C10 | C11 | C12 | C18 | 177.2° | 180.0° |
| C10 | C11 | C12 | C13 | 2.3° | 0.0° |
| C10 | C11 | C12 | H12 | 177.7° | 180.0° |
| C10 | C11 | C18 | O5 | 149.8° | 150.0° |
| C10 | C11 | C18 | O4 | 31.1° | 29.9° |
| H10 | C10 | C11 | C12 | 179.0° | 179.9° |
| H10 | C10 | C11 | C18 | 4.1° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | N2 | 178.3° | 179.9° |
| C11 | C12 | C13 | C14 | 1.5° | 0.0° |
| C12 | C11 | C18 | O5 | 27.2° | 30.0° |
| C12 | C11 | C18 | O4 | 151.8° | 150.0° |
| C18 | C11 | C12 | C13 | 174.9° | 180.0° |
| C18 | C11 | C12 | H12 | 5.1° | 0.0° |
| C11 | C18 | O5 | O4 | 179.0° | 179.9° |
| C11 | C18 | O4 | C19 | 172.5° | 179.9° |
| C12 | C13 | N2 | C14 | 179.8° | 179.9° |
| C12 | C13 | C14 | H14 | 179.4° | 180.0° |
| C12 | C13 | N2 | C16 | 49.2° | 60.1° |
| C12 | C13 | N2 | S1 | 138.9° | 88.7° |
| H12 | C12 | C13 | N2 | 1.7° | 0.0° |
| H12 | C12 | C13 | C14 | 178.5° | 179.9° |
| N2 | C13 | C14 | H14 | 0.4° | 0.1° |
| C13 | N2 | C16 | S1 | 172.6° | 148.8° |
| C13 | N2 | S1 | C15 | 98.8° | 90.0° |
| C13 | N2 | S1 | O3 | 146.7° | 23.4° |
| C13 | N2 | S1 | O2 | 18.5° | 157.4° |
| C13 | N2 | C16 | H161 | 143.1° | 65.6° |
| C13 | N2 | C16 | H162 | 96.9° | 54.4° |
| C13 | N2 | C16 | H163 | 23.1° | 174.4° |
| C14 | C13 | N2 | C16 | 130.6° | 120.0° |
| C14 | C13 | N2 | S1 | 41.3° | 91.2° |
| C16 | N2 | S1 | C15 | 73.7° | 58.8° |
| C16 | N2 | S1 | O3 | 40.8° | 172.3° |
| C16 | N2 | S1 | O2 | 169.0° | 53.8° |
| N2 | C16 | H161 | H162 | 120.0° | 120.9° |
| N2 | C16 | H161 | H163 | 120.0° | 120.9° |
| N2 | C16 | H162 | H163 | 120.0° | 120.9° |
| N2 | S1 | C15 | O3 | 112.2° | 115.3° |
| N2 | S1 | C15 | O2 | 116.3° | 114.5° |
| N2 | S1 | O3 | O2 | 119.7° | 128.3° |
| N2 | S1 | C15 | H151 | 145.2° | 37.7° |
| N2 | S1 | C15 | H152 | 25.2° | 82.3° |
| N2 | S1 | C15 | H153 | 94.8° | 157.7° |
| S1 | N2 | C16 | H161 | 44.3° | 83.2° |
| S1 | N2 | C16 | H162 | 75.7° | 156.8° |
| S1 | N2 | C16 | H163 | 164.3° | 36.8° |
| C15 | S1 | O3 | O2 | 124.9° | 122.2° |
| S1 | C15 | H151 | H152 | 120.0° | 118.7° |
| S1 | C15 | H151 | H153 | 120.0° | 118.7° |
| S1 | C15 | H152 | H153 | 120.0° | 118.7° |
| O3 | S1 | C15 | H151 | 102.6° | 153.0° |
| O3 | S1 | C15 | H152 | 137.4° | 33.0° |
| O3 | S1 | C15 | H153 | 17.4° | 87.0° |
| O2 | S1 | C15 | H151 | 29.0° | 76.9° |
| O2 | S1 | C15 | H152 | 91.0° | 163.1° |
| O2 | S1 | C15 | H153 | 148.9° | 43.1° |
| H151 | C15 | H152 | H153 | 120.0° | 122.6° |
| H161 | C16 | H162 | H163 | 119.9° | 118.3° |
| H171 | C17 | H172 | H173 | 120.0° | 116.1° |
| O5 | C18 | O4 | C19 | 6.6° | 0.0° |
| C18 | O4 | C19 | C20 | 175.9° | 180.0° |
| C18 | O4 | C19 | H191 | 64.1° | 58.1° |
| C18 | O4 | C19 | H192 | 55.1° | 56.7° |
| O4 | C19 | C20 | H191 | 120.0° | 120.0° |
| O4 | C19 | C20 | H192 | 120.8° | 121.3° |
| O4 | C19 | H191 | H192 | 120.8° | 115.6° |
| O4 | C19 | C20 | C22 | 78.4° | 60.1° |
| O4 | C19 | C20 | C21 | 158.3° | 173.2° |
| O4 | C19 | C20 | N3 | 43.6° | 58.0° |
| C20 | C19 | H191 | H192 | 120.7° | 121.4° |
| C19 | C20 | C22 | C21 | 116.7° | 124.3° |
| C19 | C20 | C22 | N3 | 121.8° | 118.1° |
| C19 | C20 | C21 | N3 | 114.9° | 115.4° |
| C19 | C20 | N3 | HN31 | 124.9° | 97.8° |
| C19 | C20 | N3 | HN32 | 115.1° | 68.8° |
| C19 | C20 | C21 | O6 | 172.9° | 53.6° |
| C19 | C20 | C21 | H211 | 52.9° | 66.8° |
| C19 | C20 | C21 | H212 | 67.0° | 174.0° |
| C19 | C20 | C22 | C26 | 66.9° | 64.3° |
| C19 | C20 | C22 | H221 | 53.1° | 58.6° |
| C19 | C20 | C22 | H222 | 177.9° | 172.8° |
| H191 | C19 | C20 | C22 | 161.5° | 60.0° |
| H191 | C19 | C20 | C21 | 38.3° | 66.8° |
| H191 | C19 | C20 | N3 | 76.5° | 178.1° |
| H192 | C19 | C20 | C22 | 42.3° | 178.6° |
| H192 | C19 | C20 | C21 | 80.9° | 51.8° |
| H192 | C19 | C20 | N3 | 164.3° | 63.3° |
| C22 | C20 | C21 | N3 | 121.7° | 117.8° |
| C22 | C20 | N3 | HN31 | 110.1° | 140.2° |
| C22 | C20 | N3 | HN32 | 9.9° | 53.2° |
| C22 | C20 | C21 | O6 | 63.7° | 179.6° |
| C22 | C20 | C21 | H211 | 176.3° | 60.0° |
| C22 | C20 | C21 | H212 | 56.5° | 59.3° |
| C20 | C22 | C26 | H221 | 120.0° | 123.9° |
| C20 | C22 | C26 | H222 | 115.2° | 123.9° |
| C20 | C22 | H221 | H222 | 115.9° | 117.9° |
| C20 | C22 | C26 | C25 | 86.2° | 90.0° |
| C20 | C22 | C26 | C27 | 97.2° | 90.0° |
| C21 | C20 | N3 | HN31 | 14.3° | 18.5° |
| C21 | C20 | N3 | HN32 | 134.3° | 174.9° |
| C20 | C21 | O6 | H211 | 120.0° | 122.1° |
| C20 | C21 | O6 | H212 | 120.1° | 122.0° |
| C20 | C21 | H211 | H212 | 120.1° | 121.4° |
| C21 | C20 | C22 | C26 | 176.4° | 60.0° |
| C21 | C20 | C22 | H221 | 63.6° | 177.1° |
| C21 | C20 | C22 | H222 | 61.2° | 62.9° |
| C20 | C21 | O6 | HO6 | 69.9° | 73.5° |
| C20 | N3 | HN31 | HN32 | 120.0° | 165.6° |
| N3 | C20 | C21 | O6 | 58.0° | 61.8° |
| N3 | C20 | C21 | H211 | 62.0° | 177.8° |
| N3 | C20 | C21 | H212 | 178.2° | 58.5° |
| N3 | C20 | C22 | C26 | 54.9° | 177.6° |
| N3 | C20 | C22 | H221 | 174.9° | 59.6° |
| N3 | C20 | C22 | H222 | 60.3° | 54.7° |
| O6 | C21 | H211 | H212 | 120.1° | 116.4° |
| H211 | C21 | O6 | HO6 | 170.1° | 164.4° |
| H212 | C21 | O6 | HO6 | 50.2° | 48.5° |
| C26 | C22 | H221 | H222 | 115.9° | 114.6° |
| C22 | C26 | C25 | C24 | 173.1° | 180.0° |
| C22 | C26 | C25 | C27 | 176.5° | 180.0° |
| C22 | C26 | C25 | H25 | 6.9° | 0.0° |
| C22 | C26 | C27 | C28 | 172.9° | 180.0° |
| C22 | C26 | C27 | H27 | 7.1° | 0.0° |
| H221 | C22 | C26 | C25 | 33.8° | 33.9° |
| H221 | C22 | C26 | C27 | 142.8° | 146.1° |
| H222 | C22 | C26 | C25 | 158.6° | 146.1° |
| H222 | C22 | C26 | C27 | 18.0° | 33.9° |
| C28 | C23 | C24 | H23 | 180.0° | 179.9° |
| C28 | C23 | C24 | C25 | 1.8° | 0.1° |
| C28 | C23 | C24 | H24 | 178.2° | 179.9° |
| C23 | C28 | C27 | C26 | 1.1° | 0.0° |
| C23 | C28 | C27 | H28 | 180.0° | 179.9° |
| C23 | C28 | C27 | H27 | 178.9° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.7° | 0.0° |
| C23 | C24 | C25 | H25 | 179.3° | 180.0° |
| C24 | C23 | C28 | C27 | 1.6° | 0.1° |
| C24 | C23 | C28 | H28 | 178.4° | 180.0° |
| H23 | C23 | C24 | C25 | 178.2° | 180.0° |
| H23 | C23 | C24 | H24 | 1.8° | 0.0° |
| H23 | C23 | C28 | C27 | 178.4° | 180.0° |
| H23 | C23 | C28 | H28 | 1.6° | 0.1° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 3.4° | 0.0° |
| H24 | C24 | C25 | C26 | 179.3° | 180.0° |
| H24 | C24 | C25 | H25 | 0.7° | 0.0° |
| C25 | C26 | C27 | C28 | 3.6° | 0.0° |
| C25 | C26 | C27 | H27 | 176.4° | 180.0° |
| H25 | C25 | C26 | C27 | 176.6° | 180.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | H28 | 178.9° | 180.0° |
| H27 | C27 | C28 | H28 | 1.1° | 0.0° |
