PWU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C11 | doub | 1.21Å | 1.20Å | |
| C11 | O1 | sing | 1.35Å | 1.34Å | |
| C11 | N1 | sing | 1.35Å | 1.40Å | |
| O1 | C12 | sing | 1.45Å | 1.47Å | |
| C12 | C14 | sing | 1.53Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.49Å | |
| N1 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.43Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | Aromatic |
| C7 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.37Å | 1.38Å | Aromatic |
| C9 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.38Å | Aromatic |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| N2 | C8 | sing | 1.35Å | 1.34Å | Aromatic |
| C6 | C | sing | 1.46Å | 1.43Å | Aromatic |
| C | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | N | doub | 1.33Å | 1.34Å | Aromatic |
| C2 | N4 | sing | 1.39Å | 1.38Å | |
| N | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| N4 | C15 | sing | 1.40Å | 1.41Å | |
| C15 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C21 | sing | 1.48Å | 1.48Å | |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C23 | doub | 1.36Å | 1.41Å | Aromatic |
| C21 | N5 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | N6 | sing | 1.34Å | 1.37Å | Aromatic |
| N6 | C22 | doub | 1.31Å | 1.32Å | Aromatic |
| C22 | C24 | sing | 1.51Å | 1.48Å | |
| C22 | N5 | sing | 1.35Å | 1.38Å | Aromatic |
| N5 | C25 | sing | 1.46Å | 1.47Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C11 | O1 | 124.5° | 120.0° |
| O | C11 | N1 | 122.9° | 120.0° |
| O1 | C11 | N1 | 112.6° | 120.0° |
| C11 | O1 | C12 | 116.9° | 117.0° |
| C11 | N1 | C5 | 125.5° | 125.2° |
| C11 | N1 | C4 | 126.0° | 125.2° |
| O1 | C12 | C14 | 107.4° | 109.5° |
| O1 | C12 | C13 | 107.4° | 109.5° |
| O1 | C12 | H12 | 109.8° | 109.5° |
| C14 | C12 | C13 | 113.2° | 109.5° |
| C14 | C12 | H12 | 109.5° | 109.5° |
| C12 | C14 | H141 | 109.5° | 109.5° |
| C12 | C14 | H142 | 109.5° | 109.5° |
| C12 | C14 | H143 | 109.5° | 109.5° |
| C13 | C12 | H12 | 109.5° | 109.4° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C5 | N1 | C4 | 108.5° | 109.7° |
| N1 | C5 | C7 | 126.7° | 125.2° |
| N1 | C5 | C6 | 109.1° | 109.6° |
| N1 | C4 | C | 106.9° | 107.4° |
| N1 | C4 | C3 | 131.8° | 134.4° |
| C7 | C5 | C6 | 124.2° | 125.2° |
| C5 | C7 | C9 | 132.1° | 126.2° |
| C5 | C7 | C8 | 122.6° | 126.2° |
| C5 | C6 | C | 108.3° | 107.1° |
| C5 | C6 | H6 | 125.9° | 126.4° |
| C9 | C7 | C8 | 105.3° | 107.5° |
| C7 | C9 | N3 | 111.1° | 108.0° |
| C7 | C9 | H9 | 124.5° | 126.0° |
| C7 | C8 | N2 | 106.9° | 107.5° |
| C7 | C8 | H8 | 126.6° | 126.2° |
| C9 | N3 | N2 | 105.1° | 108.6° |
| N3 | C9 | H9 | 124.4° | 126.0° |
| N3 | N2 | C10 | 120.7° | 125.8° |
| N3 | N2 | C8 | 111.7° | 108.3° |
| C10 | N2 | C8 | 127.6° | 125.9° |
| N2 | C10 | H101 | 109.5° | 109.5° |
| N2 | C10 | H102 | 109.4° | 109.4° |
| N2 | C10 | H103 | 109.5° | 109.5° |
| N2 | C8 | H8 | 126.5° | 126.3° |
| C6 | C | C4 | 107.3° | 106.2° |
| C6 | C | C1 | 137.4° | 134.5° |
| C | C6 | H6 | 125.8° | 126.4° |
| C4 | C | C1 | 115.3° | 119.3° |
| C | C4 | C3 | 121.3° | 118.2° |
| C | C1 | N | 125.2° | 120.3° |
| C | C1 | H1 | 117.4° | 119.9° |
| C4 | C3 | C2 | 117.3° | 118.9° |
| C4 | C3 | H3 | 121.4° | 120.6° |
| C3 | C2 | N | 123.0° | 121.3° |
| C3 | C2 | N4 | 121.7° | 119.3° |
| C2 | C3 | H3 | 121.4° | 120.6° |
| N | C2 | N4 | 115.3° | 119.4° |
| C2 | N | C1 | 117.9° | 122.1° |
| C2 | N4 | C15 | 128.9° | 120.0° |
| C2 | N4 | H4 | 115.6° | 120.0° |
| N | C1 | H1 | 117.4° | 119.9° |
| N4 | C15 | C20 | 120.5° | 119.9° |
| N4 | C15 | C16 | 120.2° | 119.9° |
| C15 | N4 | H4 | 115.5° | 120.0° |
| C20 | C15 | C16 | 119.3° | 120.1° |
| C15 | C20 | C19 | 120.3° | 120.1° |
| C15 | C20 | H20 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.3° | 120.1° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C20 | C19 | C18 | 120.7° | 119.9° |
| C19 | C20 | H20 | 119.8° | 119.9° |
| C20 | C19 | H19 | 119.6° | 120.0° |
| C19 | C18 | C17 | 118.7° | 119.9° |
| C19 | C18 | C21 | 120.8° | 120.0° |
| C18 | C19 | H19 | 119.6° | 120.1° |
| C17 | C18 | C21 | 120.6° | 120.1° |
| C18 | C17 | C16 | 120.7° | 119.9° |
| C18 | C17 | H17 | 119.6° | 120.1° |
| C18 | C21 | C23 | 127.8° | 126.8° |
| C18 | C21 | N5 | 125.9° | 126.7° |
| C17 | C16 | H16 | 119.8° | 120.0° |
| C16 | C17 | H17 | 119.7° | 120.0° |
| C23 | C21 | N5 | 106.3° | 106.5° |
| C21 | C23 | N6 | 109.5° | 107.9° |
| C21 | C23 | H23 | 125.3° | 126.0° |
| C21 | N5 | C22 | 104.8° | 107.1° |
| C21 | N5 | C25 | 128.4° | 126.5° |
| C23 | N6 | C22 | 106.0° | 109.5° |
| N6 | C23 | H23 | 125.2° | 126.1° |
| N6 | C22 | C24 | 124.5° | 125.5° |
| N6 | C22 | N5 | 113.4° | 109.0° |
| C24 | C22 | N5 | 122.1° | 125.5° |
| C22 | C24 | H241 | 109.5° | 109.4° |
| C22 | C24 | H242 | 109.5° | 109.5° |
| C22 | C24 | H243 | 109.5° | 109.5° |
| C22 | N5 | C25 | 126.8° | 126.4° |
| N5 | C25 | H251 | 109.5° | 109.5° |
| N5 | C25 | H252 | 109.5° | 109.5° |
| N5 | C25 | H253 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.4° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H101 | C10 | H103 | 109.4° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H251 | C25 | H253 | 109.4° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C11 | O1 | N1 | 179.7° | 179.7° |
| O | C11 | O1 | C12 | 2.6° | 0.1° |
| O | C11 | N1 | C5 | 0.3° | 90.0° |
| O | C11 | N1 | C4 | 179.0° | 90.3° |
| C11 | O1 | C12 | C14 | 108.2° | 150.0° |
| C11 | O1 | C12 | C13 | 129.8° | 90.0° |
| O1 | C11 | N1 | C5 | 179.9° | 90.3° |
| O1 | C11 | N1 | C4 | 0.8° | 89.4° |
| C11 | O1 | C12 | H12 | 10.8° | 30.0° |
| N1 | C11 | O1 | C12 | 177.7° | 179.7° |
| C11 | N1 | C5 | C4 | 179.4° | 179.7° |
| C11 | N1 | C5 | C7 | 2.2° | 0.0° |
| C11 | N1 | C5 | C6 | 179.0° | 180.0° |
| C11 | N1 | C4 | C | 179.1° | 179.8° |
| C11 | N1 | C4 | C3 | 1.4° | 0.1° |
| O1 | C12 | C14 | C13 | 118.4° | 120.0° |
| O1 | C12 | C14 | H12 | 119.2° | 120.0° |
| O1 | C12 | C13 | H12 | 119.2° | 120.0° |
| O1 | C12 | C14 | H141 | 180.0° | 60.0° |
| O1 | C12 | C14 | H142 | 60.0° | 180.0° |
| O1 | C12 | C14 | H143 | 60.0° | 60.0° |
| O1 | C12 | C13 | H131 | 180.0° | 60.0° |
| O1 | C12 | C13 | H132 | 60.0° | 60.0° |
| O1 | C12 | C13 | H133 | 60.0° | 180.0° |
| C14 | C12 | C13 | H12 | 122.4° | 120.0° |
| C12 | C14 | H141 | H142 | 120.0° | 120.0° |
| C12 | C14 | H141 | H143 | 120.0° | 120.0° |
| C12 | C14 | H142 | H143 | 120.0° | 120.0° |
| C14 | C12 | C13 | H131 | 61.6° | 60.0° |
| C14 | C12 | C13 | H132 | 178.4° | 180.0° |
| C14 | C12 | C13 | H133 | 58.4° | 60.0° |
| C13 | C12 | C14 | H141 | 61.6° | 60.0° |
| C13 | C12 | C14 | H142 | 58.4° | 60.0° |
| C13 | C12 | C14 | H143 | 178.4° | 180.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| N1 | C5 | C7 | C6 | 178.6° | 179.9° |
| N1 | C5 | C7 | C9 | 47.7° | 0.0° |
| N1 | C5 | C7 | C8 | 131.5° | 179.7° |
| N1 | C5 | C6 | C | 0.3° | 0.0° |
| C5 | N1 | C4 | C | 0.3° | 0.4° |
| C5 | N1 | C4 | C3 | 179.2° | 179.8° |
| N1 | C5 | C6 | H6 | 179.7° | 180.0° |
| C4 | N1 | C5 | C7 | 178.4° | 179.7° |
| C4 | N1 | C5 | C6 | 0.4° | 0.2° |
| N1 | C4 | C | C6 | 0.2° | 0.4° |
| N1 | C4 | C | C3 | 179.6° | 179.8° |
| N1 | C4 | C | C1 | 179.7° | 179.8° |
| N1 | C4 | C3 | C2 | 179.4° | 180.0° |
| N1 | C4 | C3 | H3 | 0.6° | 0.0° |
| C5 | C7 | C9 | C8 | 179.3° | 179.7° |
| C5 | C7 | C9 | N3 | 179.2° | 180.0° |
| C5 | C7 | C8 | N2 | 179.2° | 179.9° |
| C7 | C5 | C6 | C | 178.5° | 180.0° |
| C7 | C5 | C6 | H6 | 1.5° | 0.1° |
| C5 | C7 | C9 | H9 | 0.8° | 0.0° |
| C5 | C7 | C8 | H8 | 0.8° | 0.0° |
| C6 | C5 | C7 | C9 | 133.7° | 180.0° |
| C6 | C5 | C7 | C8 | 47.2° | 0.3° |
| C5 | C6 | C | H6 | 180.0° | 179.9° |
| C5 | C6 | C | C4 | 0.1° | 0.3° |
| C5 | C6 | C | C1 | 179.3° | 180.0° |
| C7 | C9 | N3 | H9 | 180.0° | 180.0° |
| C7 | C9 | N3 | N2 | 0.0° | 0.0° |
| C9 | C7 | C8 | N2 | 0.2° | 0.4° |
| C9 | C7 | C8 | H8 | 179.8° | 179.8° |
| C8 | C7 | C9 | N3 | 0.1° | 0.2° |
| C7 | C8 | N2 | N3 | 0.2° | 0.4° |
| C7 | C8 | N2 | C10 | 179.6° | 179.8° |
| C7 | C8 | N2 | H8 | 180.0° | 179.9° |
| C8 | C7 | C9 | H9 | 179.9° | 179.7° |
| C9 | N3 | N2 | C10 | 179.7° | 180.0° |
| C9 | N3 | N2 | C8 | 0.1° | 0.2° |
| N3 | N2 | C10 | C8 | 179.7° | 179.8° |
| N2 | N3 | C9 | H9 | 180.0° | 180.0° |
| N3 | N2 | C8 | H8 | 179.8° | 179.8° |
| N3 | N2 | C10 | H101 | 0.0° | 90.0° |
| N3 | N2 | C10 | H102 | 120.0° | 150.0° |
| N3 | N2 | C10 | H103 | 120.0° | 30.0° |
| C10 | N2 | C8 | H8 | 0.4° | 0.0° |
| N2 | C10 | H101 | H102 | 120.0° | 120.0° |
| N2 | C10 | H101 | H103 | 120.0° | 120.1° |
| N2 | C10 | H102 | H103 | 120.0° | 120.0° |
| C8 | N2 | C10 | H101 | 179.8° | 89.7° |
| C8 | N2 | C10 | H102 | 59.7° | 30.2° |
| C8 | N2 | C10 | H103 | 60.3° | 150.2° |
| C6 | C | C4 | C1 | 179.5° | 179.8° |
| C6 | C | C4 | C3 | 179.4° | 179.8° |
| C6 | C | C1 | N | 179.2° | 179.2° |
| C6 | C | C1 | H1 | 0.8° | 0.1° |
| C | C4 | C3 | C2 | 0.1° | 0.2° |
| C4 | C | C1 | N | 0.2° | 0.5° |
| C4 | C | C6 | H6 | 179.9° | 179.8° |
| C4 | C | C1 | H1 | 179.9° | 179.6° |
| C | C4 | C3 | H3 | 179.9° | 179.8° |
| C1 | C | C4 | C3 | 0.1° | 0.0° |
| C | C1 | N | C2 | 0.0° | 0.7° |
| C | C1 | N | H1 | 180.0° | 179.2° |
| C1 | C | C6 | H6 | 0.7° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | N | 0.3° | 0.0° |
| C4 | C3 | C2 | N4 | 179.2° | 179.9° |
| C3 | C2 | N | N4 | 179.5° | 179.9° |
| C3 | C2 | N | C1 | 0.3° | 0.5° |
| C3 | C2 | N4 | C15 | 0.3° | 174.6° |
| C3 | C2 | N4 | H4 | 179.7° | 5.5° |
| N | C2 | N4 | C15 | 179.2° | 5.5° |
| C2 | N | C1 | H1 | 180.0° | 179.9° |
| N | C2 | C3 | H3 | 179.7° | 180.0° |
| N | C2 | N4 | H4 | 0.8° | 174.5° |
| N4 | C2 | N | C1 | 179.2° | 179.6° |
| C2 | N4 | C15 | H4 | 180.0° | 179.9° |
| C2 | N4 | C15 | C20 | 154.2° | 147.3° |
| C2 | N4 | C15 | C16 | 25.8° | 32.9° |
| N4 | C2 | C3 | H3 | 0.8° | 0.0° |
| N4 | C15 | C20 | C16 | 180.0° | 179.8° |
| N4 | C15 | C20 | C19 | 179.9° | 180.0° |
| N4 | C15 | C16 | C17 | 179.9° | 179.7° |
| N4 | C15 | C20 | H20 | 0.1° | 0.0° |
| N4 | C15 | C16 | H16 | 0.0° | 0.1° |
| C15 | C20 | C19 | H20 | 180.0° | 180.0° |
| C15 | C20 | C19 | C18 | 0.0° | 0.1° |
| C20 | C15 | C16 | C17 | 0.1° | 0.5° |
| C20 | C15 | N4 | H4 | 25.8° | 32.6° |
| C20 | C15 | C16 | H16 | 180.0° | 179.7° |
| C15 | C20 | C19 | H19 | 180.0° | 180.0° |
| C16 | C15 | C20 | C19 | 0.1° | 0.2° |
| C15 | C16 | C17 | C18 | 0.0° | 0.5° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C16 | C15 | N4 | H4 | 154.2° | 147.2° |
| C16 | C15 | C20 | H20 | 179.9° | 179.7° |
| C15 | C16 | C17 | H17 | 180.0° | 179.8° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.1° | 0.0° |
| C20 | C19 | C18 | C21 | 179.7° | 180.0° |
| C19 | C18 | C17 | C21 | 179.8° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.2° |
| C19 | C18 | C21 | C23 | 144.9° | 160.3° |
| C19 | C18 | C21 | N5 | 35.6° | 20.1° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C18 | C17 | C16 | H17 | 180.0° | 179.7° |
| C17 | C18 | C21 | C23 | 34.8° | 19.6° |
| C17 | C18 | C21 | N5 | 144.6° | 160.0° |
| C18 | C17 | C16 | H16 | 180.0° | 179.7° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C21 | C18 | C17 | C16 | 179.7° | 179.7° |
| C18 | C21 | C23 | N5 | 179.6° | 179.7° |
| C18 | C21 | C23 | N6 | 179.5° | 179.9° |
| C18 | C21 | N5 | C22 | 179.5° | 179.9° |
| C18 | C21 | N5 | C25 | 0.7° | 0.1° |
| C21 | C18 | C19 | H19 | 0.3° | 0.0° |
| C21 | C18 | C17 | H17 | 0.3° | 0.0° |
| C18 | C21 | C23 | H23 | 0.5° | 0.1° |
| C21 | C23 | N6 | H23 | 180.0° | 180.0° |
| C21 | C23 | N6 | C22 | 0.0° | 0.0° |
| C23 | C21 | N5 | C22 | 0.1° | 0.4° |
| C23 | C21 | N5 | C25 | 179.7° | 179.7° |
| N5 | C21 | C23 | N6 | 0.1° | 0.3° |
| C21 | N5 | C22 | N6 | 0.1° | 0.4° |
| C21 | N5 | C22 | C24 | 179.6° | 179.8° |
| C21 | N5 | C22 | C25 | 179.8° | 179.8° |
| N5 | C21 | C23 | H23 | 179.9° | 179.7° |
| C21 | N5 | C25 | H251 | 180.0° | 84.1° |
| C21 | N5 | C25 | H252 | 60.0° | 155.9° |
| C21 | N5 | C25 | H253 | 60.0° | 35.9° |
| C23 | N6 | C22 | C24 | 179.7° | 180.0° |
| C23 | N6 | C22 | N5 | 0.1° | 0.2° |
| N6 | C22 | C24 | N5 | 179.8° | 179.7° |
| N6 | C22 | N5 | C25 | 179.7° | 179.8° |
| C22 | N6 | C23 | H23 | 180.0° | 180.0° |
| N6 | C22 | C24 | H241 | 0.0° | 90.0° |
| N6 | C22 | C24 | H242 | 120.0° | 150.0° |
| N6 | C22 | C24 | H243 | 120.0° | 30.0° |
| C24 | C22 | N5 | C25 | 0.6° | 0.0° |
| C22 | C24 | H241 | H242 | 120.0° | 120.0° |
| C22 | C24 | H241 | H243 | 120.0° | 120.0° |
| C22 | C24 | H242 | H243 | 120.0° | 120.0° |
| N5 | C22 | C24 | H241 | 179.8° | 89.7° |
| N5 | C22 | C24 | H242 | 60.3° | 30.3° |
| N5 | C22 | C24 | H243 | 59.7° | 150.3° |
| C22 | N5 | C25 | H251 | 0.2° | 95.7° |
| C22 | N5 | C25 | H252 | 119.8° | 24.3° |
| C22 | N5 | C25 | H253 | 120.2° | 144.2° |
| N5 | C25 | H251 | H252 | 120.0° | 120.0° |
| N5 | C25 | H251 | H253 | 120.0° | 120.0° |
| N5 | C25 | H252 | H253 | 120.0° | 120.0° |
| H12 | C12 | C14 | H141 | 60.8° | 180.0° |
| H12 | C12 | C14 | H142 | 179.2° | 60.0° |
| H12 | C12 | C14 | H143 | 59.2° | 60.0° |
| H12 | C12 | C13 | H131 | 60.8° | 180.0° |
| H12 | C12 | C13 | H132 | 59.2° | 60.0° |
| H12 | C12 | C13 | H133 | 179.2° | 60.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| H20 | C20 | C19 | H19 | 0.0° | 0.0° |
| H16 | C16 | C17 | H17 | 0.1° | 0.0° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
