T87
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | doub | 1.38Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N2 | C1 | sing | 1.30Å | 1.32Å | |
| N2 | HN21 | sing | 10.41Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | sing | 1.48Å | 1.40Å | |
| C2 | C3 | doub | 1.40Å | 1.43Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.44Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N | sing | 1.39Å | 1.44Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C7 | HC7 | sing | 1.08Å | 1.10Å | |
| N | C | sing | 1.46Å | 1.48Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| C | C8 | sing | 1.51Å | 1.53Å | |
| C | H1C | sing | 1.09Å | 1.12Å | |
| C | H2C | sing | 1.09Å | 1.12Å | |
| N3 | C8 | doub | 1.30Å | 1.40Å | Aromatic |
| N3 | C7A | sing | 1.36Å | 1.38Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.41Å | Aromatic |
| N9 | C3A | sing | 1.38Å | 1.40Å | Aromatic |
| N9 | C14 | sing | 1.47Å | 1.50Å | |
| C3A | C7A | doub | 1.41Å | 1.45Å | Aromatic |
| C3A | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C7A | C13 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | H10C | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | H11C | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.37Å | 1.42Å | Aromatic |
| C12 | C16 | sing | 1.51Å | 1.57Å | |
| C13 | H13C | sing | 1.08Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C14 | H143 | sing | 1.09Å | 1.11Å | |
| C9 | C15 | sing | 1.53Å | 1.55Å | |
| C9 | C16 | sing | 1.53Å | 1.51Å | |
| C9 | HC91 | sing | 1.09Å | 1.11Å | |
| C9 | HC92 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.51Å | 1.56Å | |
| C17 | N4 | doub | 1.29Å | 1.32Å | |
| C17 | C18 | sing | 1.48Å | 1.56Å | |
| N4 | OH | sing | 1.42Å | 1.49Å | |
| N5 | C18 | doub | 1.33Å | 1.42Å | Aromatic |
| N5 | C22 | sing | 1.32Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | H19C | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | H20C | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | H21C | sing | 1.08Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| OH | C23 | sing | 1.43Å | 1.43Å | |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | O2 | doub | 1.21Å | 1.24Å | |
| C24 | O3 | sing | 1.34Å | 1.38Å | |
| O3 | C26 | sing | 1.45Å | 1.44Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C25 | H253 | sing | 1.09Å | 1.12Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | HN1 | 116.2° | 120.0° |
| N1 | C1 | N2 | 111.1° | 120.0° |
| N1 | C1 | C2 | 124.5° | 120.0° |
| C1 | N2 | HN21 | 111.1° | 51.0° |
| C1 | N2 | HN22 | 111.6° | 120.0° |
| N2 | C1 | C2 | 124.4° | 120.0° |
| HN21 | N2 | HN22 | 111.6° | 166.7° |
| C1 | C2 | C3 | 121.3° | 120.0° |
| C1 | C2 | C7 | 121.9° | 120.1° |
| C3 | C2 | C7 | 116.8° | 119.9° |
| C2 | C3 | C4 | 121.5° | 119.9° |
| C2 | C3 | HC3 | 120.4° | 120.0° |
| C2 | C7 | C6 | 121.5° | 120.0° |
| C2 | C7 | HC7 | 120.6° | 120.0° |
| C4 | C3 | HC3 | 118.1° | 120.1° |
| C3 | C4 | C5 | 120.4° | 120.1° |
| C3 | C4 | HC4 | 119.4° | 119.9° |
| C5 | C4 | HC4 | 120.2° | 120.0° |
| C4 | C5 | C6 | 119.8° | 120.1° |
| C4 | C5 | N | 122.0° | 120.0° |
| C6 | C5 | N | 118.1° | 119.9° |
| C5 | C6 | C7 | 120.0° | 120.0° |
| C5 | C6 | HC6 | 120.0° | 120.0° |
| C5 | N | C | 128.2° | 120.0° |
| C5 | N | HN | 105.7° | 120.0° |
| C7 | C6 | HC6 | 120.0° | 120.0° |
| C6 | C7 | HC7 | 117.9° | 120.0° |
| C | N | HN | 105.7° | 120.0° |
| N | C | C8 | 115.9° | 109.5° |
| N | C | H1C | 109.9° | 109.5° |
| N | C | H2C | 109.9° | 109.4° |
| C8 | C | H1C | 109.9° | 109.5° |
| C8 | C | H2C | 109.9° | 109.4° |
| C | C8 | N3 | 117.4° | 124.9° |
| C | C8 | N9 | 121.8° | 125.0° |
| H1C | C | H2C | 100.3° | 109.5° |
| C8 | N3 | C7A | 99.4° | 109.6° |
| N3 | C8 | N9 | 120.7° | 110.1° |
| N3 | C7A | C3A | 110.7° | 106.9° |
| N3 | C7A | C13 | 129.0° | 133.6° |
| C8 | N9 | C3A | 97.8° | 107.3° |
| C8 | N9 | C14 | 131.7° | 126.3° |
| C3A | N9 | C14 | 130.4° | 126.4° |
| N9 | C3A | C7A | 111.3° | 106.0° |
| N9 | C3A | C10 | 129.0° | 134.2° |
| N9 | C14 | H141 | 131.8° | 109.5° |
| N9 | C14 | H142 | 104.5° | 109.4° |
| N9 | C14 | H143 | 104.5° | 109.4° |
| C7A | C3A | C10 | 119.7° | 119.8° |
| C3A | C7A | C13 | 120.3° | 119.4° |
| C3A | C10 | C11 | 119.1° | 119.7° |
| C3A | C10 | H10C | 121.4° | 120.1° |
| C7A | C13 | C12 | 119.3° | 119.9° |
| C7A | C13 | H13C | 120.6° | 120.1° |
| C11 | C10 | H10C | 119.5° | 120.2° |
| C10 | C11 | C12 | 121.9° | 120.5° |
| C10 | C11 | H11C | 118.0° | 119.8° |
| C12 | C11 | H11C | 120.1° | 119.8° |
| C11 | C12 | C13 | 119.7° | 120.7° |
| C11 | C12 | C16 | 120.2° | 119.6° |
| C13 | C12 | C16 | 120.0° | 119.7° |
| C12 | C13 | H13C | 120.1° | 120.1° |
| C12 | C16 | C9 | 123.9° | 117.5° |
| C12 | C16 | C15 | 111.6° | 117.5° |
| C12 | C16 | C17 | 107.9° | 115.5° |
| H141 | C14 | H142 | 104.5° | 109.5° |
| H141 | C14 | H143 | 104.6° | 109.5° |
| H142 | C14 | H143 | 104.4° | 109.4° |
| C15 | C9 | C16 | 59.0° | 60.0° |
| C15 | C9 | HC91 | 135.6° | 117.5° |
| C15 | C9 | HC92 | 135.5° | 117.5° |
| C9 | C15 | C16 | 59.3° | 60.0° |
| C9 | C15 | H151 | 135.4° | 117.5° |
| C9 | C15 | H152 | 135.4° | 117.5° |
| C16 | C9 | HC91 | 135.6° | 117.5° |
| C16 | C9 | HC92 | 135.5° | 117.5° |
| C9 | C16 | C15 | 61.6° | 60.0° |
| C9 | C16 | C17 | 115.0° | 117.5° |
| HC91 | C9 | HC92 | 69.7° | 115.5° |
| C16 | C15 | H151 | 135.3° | 117.5° |
| C16 | C15 | H152 | 135.4° | 117.5° |
| C15 | C16 | C17 | 131.8° | 117.5° |
| H151 | C15 | H152 | 70.0° | 115.6° |
| C16 | C17 | N4 | 119.8° | 120.0° |
| C16 | C17 | C18 | 119.3° | 119.9° |
| N4 | C17 | C18 | 120.9° | 120.0° |
| C17 | N4 | OH | 119.7° | 120.0° |
| C17 | C18 | N5 | 121.1° | 119.8° |
| C17 | C18 | C19 | 120.0° | 119.7° |
| N4 | OH | C23 | 110.6° | 106.8° |
| C18 | N5 | C22 | 121.0° | 121.6° |
| N5 | C18 | C19 | 118.9° | 120.5° |
| N5 | C22 | C21 | 119.6° | 120.9° |
| N5 | C22 | H22 | 120.8° | 119.6° |
| C18 | C19 | C20 | 120.1° | 119.0° |
| C18 | C19 | H19C | 119.9° | 120.5° |
| C20 | C19 | H19C | 120.0° | 120.5° |
| C19 | C20 | C21 | 120.9° | 118.5° |
| C19 | C20 | H20C | 119.4° | 120.7° |
| C21 | C20 | H20C | 119.7° | 120.7° |
| C20 | C21 | C22 | 119.5° | 119.4° |
| C20 | C21 | H21C | 120.6° | 120.3° |
| C22 | C21 | H21C | 119.9° | 120.3° |
| C21 | C22 | H22 | 119.6° | 119.5° |
| OH | C23 | C24 | 109.1° | 109.5° |
| OH | C23 | H231 | 112.4° | 109.5° |
| OH | C23 | H232 | 112.4° | 109.4° |
| C24 | C23 | H231 | 112.3° | 109.5° |
| C24 | C23 | H232 | 112.4° | 109.5° |
| C23 | C24 | O2 | 119.2° | 120.0° |
| C23 | C24 | O3 | 119.3° | 120.0° |
| H231 | C23 | H232 | 98.1° | 109.4° |
| O2 | C24 | O3 | 121.5° | 120.0° |
| C24 | O3 | C26 | 111.9° | 120.0° |
| O3 | C26 | C25 | 109.5° | 109.5° |
| O3 | C26 | H261 | 112.2° | 109.5° |
| O3 | C26 | H262 | 112.2° | 109.5° |
| C26 | C25 | H251 | 109.6° | 109.5° |
| C26 | C25 | H252 | 112.2° | 109.5° |
| C26 | C25 | H253 | 112.2° | 109.4° |
| C25 | C26 | H261 | 112.2° | 109.4° |
| C25 | C26 | H262 | 112.2° | 109.5° |
| H251 | C25 | H252 | 112.2° | 109.5° |
| H251 | C25 | H253 | 112.2° | 109.5° |
| H252 | C25 | H253 | 98.2° | 109.5° |
| H261 | C26 | H262 | 98.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | C2 | 178.7° | 180.0° |
| N1 | C1 | N2 | HN21 | 180.0° | 168.0° |
| N1 | C1 | N2 | HN22 | 54.8° | 0.0° |
| N1 | C1 | C2 | C3 | 2.4° | 180.0° |
| N1 | C1 | C2 | C7 | 177.4° | 0.0° |
| HN1 | N1 | C1 | N2 | 2.0° | 0.1° |
| HN1 | N1 | C1 | C2 | 179.3° | 179.9° |
| C1 | N2 | HN21 | HN22 | 125.3° | 51.2° |
| N2 | C1 | C2 | C3 | 179.1° | 0.0° |
| N2 | C1 | C2 | C7 | 1.1° | 180.0° |
| HN21 | N2 | C1 | C2 | 1.3° | 11.9° |
| HN22 | N2 | C1 | C2 | 126.5° | 180.0° |
| C1 | C2 | C3 | C7 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 179.8° | 180.0° |
| C1 | C2 | C3 | HC3 | 0.2° | 0.0° |
| C1 | C2 | C7 | C6 | 179.8° | 179.8° |
| C1 | C2 | C7 | HC7 | 0.2° | 0.0° |
| C2 | C3 | C4 | HC3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | C4 | HC4 | 179.9° | 180.0° |
| C3 | C2 | C7 | C6 | 0.0° | 0.3° |
| C3 | C2 | C7 | HC7 | 180.0° | 180.0° |
| C7 | C2 | C3 | C4 | 0.0° | 0.0° |
| C7 | C2 | C3 | HC3 | 180.0° | 180.0° |
| C2 | C7 | C6 | C5 | 0.0° | 0.5° |
| C2 | C7 | C6 | HC7 | 180.0° | 179.8° |
| C2 | C7 | C6 | HC6 | 180.0° | 180.0° |
| C3 | C4 | C5 | HC4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C3 | C4 | C5 | N | 179.8° | 180.0° |
| HC3 | C3 | C4 | C5 | 179.9° | 180.0° |
| HC3 | C3 | C4 | HC4 | 0.1° | 0.1° |
| C4 | C5 | C6 | N | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 0.1° | 0.6° |
| C4 | C5 | C6 | HC6 | 179.9° | 180.0° |
| C4 | C5 | N | C | 18.1° | 180.0° |
| C4 | C5 | N | HN | 143.4° | 0.0° |
| HC4 | C4 | C5 | C6 | 179.9° | 179.8° |
| HC4 | C4 | C5 | N | 0.2° | 0.1° |
| C5 | C6 | C7 | HC6 | 180.0° | 179.4° |
| C5 | C6 | C7 | HC7 | 180.0° | 179.7° |
| C6 | C5 | N | C | 161.9° | 0.3° |
| C6 | C5 | N | HN | 36.6° | 179.7° |
| N | C5 | C6 | C7 | 179.9° | 179.7° |
| N | C5 | C6 | HC6 | 0.1° | 0.3° |
| C5 | N | C | HN | 125.3° | 180.0° |
| C5 | N | C | C8 | 57.5° | 180.0° |
| C5 | N | C | H1C | 67.8° | 60.0° |
| C5 | N | C | H2C | 177.3° | 60.0° |
| HC6 | C6 | C7 | HC7 | 0.0° | 0.3° |
| N | C | C8 | H1C | 125.3° | 120.1° |
| N | C | C8 | H2C | 125.3° | 119.9° |
| N | C | H1C | H2C | 115.6° | 120.0° |
| N | C | C8 | N3 | 97.5° | 90.1° |
| N | C | C8 | N9 | 82.4° | 90.0° |
| HN | N | C | C8 | 67.8° | 0.1° |
| HN | N | C | H1C | 166.9° | 120.0° |
| HN | N | C | H2C | 57.4° | 120.0° |
| C8 | C | H1C | H2C | 115.7° | 120.0° |
| C | C8 | N3 | N9 | 179.9° | 180.0° |
| C | C8 | N3 | C7A | 179.8° | 180.0° |
| C | C8 | N9 | C3A | 179.8° | 180.0° |
| C | C8 | N9 | C14 | 0.1° | 0.0° |
| H1C | C | C8 | N3 | 27.8° | 30.0° |
| H1C | C | C8 | N9 | 152.3° | 150.0° |
| H2C | C | C8 | N3 | 137.2° | 150.0° |
| H2C | C | C8 | N9 | 42.9° | 30.0° |
| N3 | C8 | N9 | C3A | 0.1° | 0.0° |
| N3 | C8 | N9 | C14 | 180.0° | 180.0° |
| C8 | N3 | C7A | C3A | 0.1° | 0.0° |
| C8 | N3 | C7A | C13 | 179.8° | 179.7° |
| C7A | N3 | C8 | N9 | 0.1° | 0.0° |
| N3 | C7A | C3A | N9 | 0.1° | 0.0° |
| N3 | C7A | C3A | C13 | 179.9° | 179.8° |
| N3 | C7A | C3A | C10 | 179.9° | 180.0° |
| N3 | C7A | C13 | C12 | 179.8° | 179.9° |
| N3 | C7A | C13 | H13C | 0.2° | 0.1° |
| C8 | N9 | C3A | C14 | 179.9° | 180.0° |
| C8 | N9 | C3A | C7A | 0.0° | 0.0° |
| C8 | N9 | C3A | C10 | 179.9° | 180.0° |
| C8 | N9 | C14 | H141 | 180.0° | 90.0° |
| C8 | N9 | C14 | H142 | 54.7° | 30.1° |
| C8 | N9 | C14 | H143 | 54.7° | 150.0° |
| N9 | C3A | C7A | C10 | 179.9° | 179.9° |
| N9 | C3A | C7A | C13 | 179.8° | 179.7° |
| N9 | C3A | C10 | C11 | 179.6° | 179.9° |
| N9 | C3A | C10 | H10C | 0.4° | 0.0° |
| C3A | N9 | C14 | H141 | 0.1° | 90.0° |
| C3A | N9 | C14 | H142 | 125.4° | 149.9° |
| C3A | N9 | C14 | H143 | 125.2° | 30.0° |
| C14 | N9 | C3A | C7A | 179.9° | 180.0° |
| C14 | N9 | C3A | C10 | 0.1° | 0.0° |
| N9 | C14 | H141 | H142 | 125.2° | 120.0° |
| N9 | C14 | H141 | H143 | 125.3° | 120.0° |
| N9 | C14 | H142 | H143 | 109.4° | 119.9° |
| C7A | C3A | C10 | C11 | 0.2° | 0.0° |
| C7A | C3A | C10 | H10C | 179.7° | 180.0° |
| C3A | C7A | C13 | C12 | 0.0° | 0.4° |
| C3A | C7A | C13 | H13C | 179.9° | 179.6° |
| C10 | C3A | C7A | C13 | 0.1° | 0.2° |
| C3A | C10 | C11 | H10C | 180.0° | 180.0° |
| C3A | C10 | C11 | C12 | 0.3° | 0.0° |
| C3A | C10 | C11 | H11C | 179.8° | 179.9° |
| C7A | C13 | C12 | C11 | 0.0° | 0.5° |
| C7A | C13 | C12 | H13C | 180.0° | 179.9° |
| C7A | C13 | C12 | C16 | 177.0° | 179.8° |
| C10 | C11 | C12 | H11C | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.3° |
| C10 | C11 | C12 | C16 | 177.1° | 180.0° |
| H10C | C10 | C11 | C12 | 179.7° | 180.0° |
| H10C | C10 | C11 | H11C | 0.3° | 0.1° |
| C11 | C12 | C13 | C16 | 177.0° | 179.8° |
| C11 | C12 | C13 | H13C | 180.0° | 179.6° |
| C11 | C12 | C16 | C9 | 165.4° | 32.0° |
| C11 | C12 | C16 | C15 | 125.0° | 100.6° |
| C11 | C12 | C16 | C17 | 26.7° | 113.8° |
| H11C | C11 | C12 | C13 | 179.9° | 179.8° |
| H11C | C11 | C12 | C16 | 2.9° | 0.1° |
| C13 | C12 | C16 | C9 | 17.6° | 147.8° |
| C13 | C12 | C16 | C15 | 51.9° | 79.2° |
| C13 | C12 | C16 | C17 | 156.4° | 66.4° |
| C16 | C12 | C13 | H13C | 3.1° | 0.1° |
| C12 | C16 | C15 | C9 | 117.9° | 107.5° |
| C12 | C16 | C9 | C17 | 136.2° | 145.1° |
| C12 | C16 | C9 | HC91 | 136.6° | 0.0° |
| C12 | C16 | C9 | HC92 | 27.1° | 145.0° |
| C12 | C16 | C15 | C17 | 142.8° | 145.0° |
| C12 | C16 | C15 | H151 | 7.4° | 145.0° |
| C12 | C16 | C15 | H152 | 116.8° | 0.1° |
| C12 | C16 | C17 | N4 | 79.7° | 94.4° |
| C12 | C16 | C17 | C18 | 99.5° | 85.7° |
| H141 | C14 | H142 | H143 | 109.5° | 120.1° |
| C15 | C9 | C16 | HC91 | 125.3° | 107.5° |
| C15 | C9 | C16 | HC92 | 125.2° | 107.5° |
| C15 | C9 | HC91 | HC92 | 135.3° | 145.6° |
| C9 | C15 | C16 | H151 | 125.3° | 107.5° |
| C9 | C15 | C16 | H152 | 125.3° | 107.5° |
| C9 | C15 | H151 | H152 | 135.3° | 145.7° |
| C15 | C9 | C16 | C17 | 125.7° | 107.5° |
| C16 | C9 | HC91 | HC92 | 135.2° | 145.7° |
| C9 | C16 | C17 | N4 | 63.2° | 119.9° |
| C9 | C16 | C17 | C18 | 117.7° | 60.1° |
| HC91 | C9 | C15 | H151 | 109.6° | 145.0° |
| HC91 | C9 | C15 | H152 | 0.1° | 0.0° |
| HC91 | C9 | C16 | C17 | 0.4° | 145.0° |
| HC92 | C9 | C15 | H151 | 0.1° | 0.1° |
| HC92 | C9 | C15 | H152 | 109.6° | 145.0° |
| HC92 | C9 | C16 | C17 | 109.1° | 0.0° |
| C16 | C15 | H151 | H152 | 135.2° | 145.7° |
| C15 | C16 | C17 | N4 | 136.6° | 51.3° |
| C15 | C16 | C17 | C18 | 44.3° | 128.7° |
| H151 | C15 | C16 | C17 | 135.4° | 0.1° |
| H152 | C15 | C16 | C17 | 26.0° | 145.0° |
| C16 | C17 | N4 | C18 | 179.2° | 180.0° |
| C16 | C17 | N4 | OH | 0.6° | 5.8° |
| C16 | C17 | C18 | N5 | 144.6° | 5.7° |
| C16 | C17 | C18 | C19 | 35.4° | 174.0° |
| N4 | C17 | C18 | N5 | 36.3° | 174.3° |
| N4 | C17 | C18 | C19 | 143.8° | 5.9° |
| C17 | N4 | OH | C23 | 179.7° | 179.9° |
| C18 | C17 | N4 | OH | 179.8° | 174.3° |
| C17 | C18 | N5 | C19 | 179.9° | 179.7° |
| C17 | C18 | N5 | C22 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 179.9° | 180.0° |
| C17 | C18 | C19 | H19C | 0.0° | 0.0° |
| N4 | OH | C23 | C24 | 177.1° | 180.0° |
| N4 | OH | C23 | H231 | 51.9° | 59.9° |
| N4 | OH | C23 | H232 | 57.6° | 60.0° |
| N5 | C18 | C19 | C20 | 0.1° | 0.2° |
| N5 | C18 | C19 | H19C | 180.0° | 179.8° |
| C18 | N5 | C22 | C21 | 0.0° | 0.6° |
| C18 | N5 | C22 | H22 | 180.0° | 179.8° |
| C22 | N5 | C18 | C19 | 0.1° | 0.6° |
| N5 | C22 | C21 | C20 | 0.0° | 0.3° |
| N5 | C22 | C21 | H22 | 180.0° | 179.7° |
| N5 | C22 | C21 | H21C | 180.0° | 179.7° |
| C18 | C19 | C20 | H19C | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H20C | 179.8° | 180.0° |
| C19 | C20 | C21 | H20C | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H21C | 180.0° | 180.0° |
| H19C | C19 | C20 | C21 | 179.9° | 180.0° |
| H19C | C19 | C20 | H20C | 0.1° | 0.0° |
| C20 | C21 | C22 | H21C | 179.9° | 180.0° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| H20C | C20 | C21 | C22 | 179.9° | 180.0° |
| H20C | C20 | C21 | H21C | 0.1° | 0.0° |
| H21C | C21 | C22 | H22 | 0.0° | 0.1° |
| OH | C23 | C24 | H231 | 125.2° | 120.1° |
| OH | C23 | C24 | H232 | 125.3° | 119.9° |
| OH | C23 | H231 | H232 | 118.3° | 120.0° |
| OH | C23 | C24 | O2 | 146.1° | 0.0° |
| OH | C23 | C24 | O3 | 33.9° | 179.9° |
| C24 | C23 | H231 | H232 | 118.3° | 120.0° |
| C23 | C24 | O2 | O3 | 180.0° | 179.9° |
| C23 | C24 | O3 | C26 | 180.0° | 180.0° |
| H231 | C23 | C24 | O2 | 88.7° | 120.1° |
| H231 | C23 | C24 | O3 | 91.3° | 60.0° |
| H232 | C23 | C24 | O2 | 20.8° | 119.9° |
| H232 | C23 | C24 | O3 | 159.2° | 60.0° |
| O2 | C24 | O3 | C26 | 0.1° | 0.1° |
| C24 | O3 | C26 | C25 | 163.4° | 180.0° |
| C24 | O3 | C26 | H261 | 71.3° | 60.0° |
| C24 | O3 | C26 | H262 | 38.2° | 59.9° |
| O3 | C26 | C25 | H261 | 125.2° | 120.1° |
| O3 | C26 | C25 | H262 | 125.3° | 120.0° |
| O3 | C26 | C25 | H251 | 180.0° | 180.0° |
| O3 | C26 | C25 | H252 | 54.7° | 60.0° |
| O3 | C26 | C25 | H253 | 54.8° | 60.0° |
| O3 | C26 | H261 | H262 | 118.1° | 120.0° |
| C26 | C25 | H251 | H252 | 125.3° | 120.0° |
| C26 | C25 | H251 | H253 | 125.3° | 120.0° |
| C26 | C25 | H252 | H253 | 118.1° | 119.9° |
| C25 | C26 | H261 | H262 | 118.1° | 120.0° |
| H251 | C25 | H252 | H253 | 118.1° | 120.0° |
| H251 | C25 | C26 | H261 | 54.8° | 59.9° |
| H251 | C25 | C26 | H262 | 54.7° | 60.0° |
| H252 | C25 | C26 | H261 | 179.9° | 60.1° |
| H252 | C25 | C26 | H262 | 70.6° | 180.0° |
| H253 | C25 | C26 | H261 | 70.5° | 179.9° |
| H253 | C25 | C26 | H262 | 180.0° | 60.0° |
