A1BU9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.25Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| N2 | C1 | sing | 1.35Å | 1.34Å | |
| C2 | C3 | doub | 1.40Å | 1.37Å | Aromatic |
| C2 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | S1 | sing | 1.77Å | 1.71Å | |
| C5 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| S1 | C6 | sing | 1.81Å | 1.77Å | |
| C6 | C8 | sing | 1.50Å | 1.51Å | |
| C7 | N1 | sing | 1.39Å | 1.41Å | |
| C9 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C8 | sing | 1.33Å | 1.34Å | |
| C8 | O2 | doub | 1.21Å | 1.22Å | |
| C10 | N2 | sing | 1.46Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C25 | C10 | sing | 1.53Å | 1.50Å | |
| C11 | O3 | sing | 1.43Å | 1.44Å | |
| O3 | C12 | sing | 1.43Å | 1.43Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | O5 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| C15 | C16 | doub | 1.37Å | 1.39Å | Aromatic |
| C24 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | N3 | doub | 1.31Å | 1.35Å | Aromatic |
| N3 | C18 | sing | 1.34Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.30Å | Aromatic |
| C18 | C24 | doub | 1.42Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.36Å | 1.48Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.34Å | Aromatic |
| O4 | C21 | sing | 1.36Å | 1.46Å | |
| C21 | C23 | doub | 1.37Å | 1.37Å | Aromatic |
| C22 | O4 | sing | 1.43Å | 1.44Å | |
| C23 | C24 | sing | 1.40Å | 1.52Å | Aromatic |
| O5 | C25 | sing | 1.43Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.9° | 120.0° |
| O1 | C1 | N2 | 129.4° | 120.0° |
| C2 | C1 | N2 | 107.6° | 120.0° |
| C1 | C2 | C3 | 118.2° | 120.0° |
| C1 | C2 | C9 | 122.3° | 120.0° |
| C1 | N2 | C10 | 133.0° | 120.0° |
| C1 | N2 | H2 | 113.5° | 120.1° |
| C3 | C2 | C9 | 119.3° | 120.1° |
| C2 | C3 | C4 | 119.7° | 119.8° |
| C2 | C3 | H3 | 120.2° | 120.1° |
| C2 | C9 | C7 | 120.5° | 120.2° |
| C2 | C9 | H9 | 119.7° | 119.9° |
| C3 | C4 | C5 | 121.9° | 120.1° |
| C3 | C4 | H4 | 119.0° | 119.9° |
| C4 | C3 | H3 | 120.2° | 120.1° |
| C4 | C5 | S1 | 118.0° | 120.0° |
| C4 | C5 | C7 | 118.8° | 120.7° |
| C5 | C4 | H4 | 119.1° | 120.0° |
| S1 | C5 | C7 | 123.2° | 119.3° |
| C5 | S1 | C6 | 101.1° | 101.9° |
| C5 | C7 | N1 | 120.1° | 121.5° |
| C5 | C7 | C9 | 119.7° | 119.1° |
| S1 | C6 | C8 | 111.7° | 109.2° |
| S1 | C6 | H62 | 108.9° | 109.2° |
| S1 | C6 | H61 | 108.9° | 109.9° |
| C6 | C8 | N1 | 120.5° | 123.5° |
| C6 | C8 | O2 | 117.7° | 118.3° |
| C8 | C6 | H62 | 108.9° | 109.5° |
| C8 | C6 | H61 | 108.9° | 109.6° |
| N1 | C7 | C9 | 120.1° | 119.3° |
| C7 | N1 | C8 | 126.0° | 125.8° |
| C7 | N1 | H1 | 117.0° | 117.1° |
| C7 | C9 | H9 | 119.7° | 119.9° |
| N1 | C8 | O2 | 121.8° | 118.2° |
| C8 | N1 | H1 | 117.0° | 117.1° |
| N2 | C10 | C11 | 110.7° | 109.6° |
| N2 | C10 | C25 | 116.9° | 109.6° |
| N2 | C10 | H10 | 108.1° | 109.5° |
| C10 | N2 | H2 | 113.5° | 119.9° |
| C11 | C10 | C25 | 105.9° | 108.9° |
| C10 | C11 | O3 | 107.1° | 109.0° |
| C11 | C10 | H10 | 107.2° | 109.6° |
| C10 | C11 | H112 | 110.1° | 109.6° |
| C10 | C11 | H111 | 110.1° | 109.5° |
| C10 | C25 | O5 | 100.3° | 109.0° |
| C25 | C10 | H10 | 107.6° | 109.7° |
| C10 | C25 | H251 | 111.7° | 109.5° |
| C10 | C25 | H252 | 111.7° | 109.5° |
| C11 | O3 | C12 | 116.8° | 113.8° |
| O3 | C11 | H112 | 110.0° | 109.5° |
| O3 | C11 | H111 | 110.0° | 109.5° |
| O3 | C12 | C13 | 108.0° | 109.5° |
| O3 | C12 | O5 | 115.9° | 109.5° |
| O3 | C12 | H12 | 108.6° | 109.4° |
| C13 | C12 | O5 | 108.4° | 109.5° |
| C12 | C13 | C14 | 114.7° | 109.5° |
| C12 | C13 | H131 | 108.1° | 109.5° |
| C12 | C13 | H132 | 108.2° | 109.5° |
| C13 | C12 | H12 | 107.3° | 109.5° |
| C12 | O5 | C25 | 117.1° | 113.8° |
| O5 | C12 | H12 | 108.4° | 109.4° |
| C13 | C14 | C15 | 115.6° | 109.5° |
| C14 | C13 | H131 | 108.2° | 109.5° |
| C14 | C13 | H132 | 108.2° | 109.5° |
| C13 | C14 | H141 | 107.9° | 109.4° |
| C13 | C14 | H142 | 107.9° | 109.5° |
| C14 | C15 | C16 | 122.6° | 121.0° |
| C14 | C15 | C24 | 121.0° | 120.9° |
| C15 | C14 | H141 | 107.9° | 109.5° |
| C15 | C14 | H142 | 107.9° | 109.5° |
| C16 | C15 | C24 | 116.4° | 118.2° |
| C15 | C16 | C17 | 121.3° | 120.0° |
| C15 | C16 | H16 | 119.4° | 120.0° |
| C15 | C24 | C18 | 119.4° | 119.0° |
| C15 | C24 | C23 | 119.7° | 121.4° |
| C16 | C17 | N3 | 122.3° | 121.7° |
| C16 | C17 | H17 | 118.9° | 119.2° |
| C17 | C16 | H16 | 119.3° | 120.0° |
| C17 | N3 | C18 | 116.9° | 121.3° |
| N3 | C17 | H17 | 118.9° | 119.1° |
| N3 | C18 | C19 | 126.1° | 121.0° |
| N3 | C18 | C24 | 123.6° | 119.9° |
| C19 | C18 | C24 | 109.9° | 119.1° |
| C18 | C19 | C20 | 124.6° | 119.9° |
| C18 | C19 | H7 | 117.7° | 120.1° |
| C18 | C24 | C23 | 120.8° | 119.6° |
| C19 | C20 | C21 | 117.7° | 121.0° |
| C19 | C20 | H6 | 121.1° | 119.5° |
| C20 | C19 | H7 | 117.7° | 120.1° |
| C20 | C21 | O4 | 125.8° | 119.6° |
| C20 | C21 | C23 | 113.0° | 120.7° |
| C21 | C20 | H6 | 121.1° | 119.5° |
| O4 | C21 | C23 | 121.1° | 119.6° |
| C21 | O4 | C22 | 117.1° | 117.0° |
| C21 | C23 | C24 | 122.1° | 119.7° |
| C21 | C23 | H23 | 118.9° | 120.2° |
| O4 | C22 | H222 | 109.5° | 109.5° |
| O4 | C22 | H221 | 109.5° | 109.5° |
| O4 | C22 | H223 | 109.5° | 109.4° |
| C24 | C23 | H23 | 119.0° | 120.1° |
| O5 | C25 | H251 | 111.7° | 109.6° |
| O5 | C25 | H252 | 111.7° | 109.7° |
| H62 | C6 | H61 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.4° | 109.4° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.6° |
| H112 | C11 | H111 | 109.5° | 109.7° |
| H141 | C14 | H142 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N2 | 177.2° | 180.0° |
| O1 | C1 | C2 | C3 | 26.1° | 179.9° |
| O1 | C1 | C2 | C9 | 158.0° | 0.1° |
| O1 | C1 | N2 | C10 | 3.4° | 0.0° |
| O1 | C1 | N2 | H2 | 176.6° | 180.0° |
| C1 | C2 | C3 | C9 | 176.0° | 180.0° |
| C1 | C2 | C3 | C4 | 178.0° | 179.8° |
| C1 | C2 | C9 | C7 | 177.4° | 180.0° |
| C2 | C1 | N2 | C10 | 173.6° | 180.0° |
| C1 | C2 | C3 | H3 | 2.0° | 0.0° |
| C1 | C2 | C9 | H9 | 2.6° | 0.1° |
| C2 | C1 | N2 | H2 | 6.4° | 0.0° |
| N2 | C1 | C2 | C3 | 151.1° | 0.0° |
| N2 | C1 | C2 | C9 | 24.8° | 180.0° |
| C1 | N2 | C10 | H2 | 180.0° | 180.0° |
| C1 | N2 | C10 | C11 | 158.4° | 155.0° |
| C1 | N2 | C10 | C25 | 37.0° | 85.6° |
| C1 | N2 | C10 | H10 | 84.5° | 34.8° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.9° | 0.2° |
| C3 | C2 | C9 | C7 | 1.6° | 0.0° |
| C2 | C3 | C4 | H4 | 178.0° | 179.9° |
| C3 | C2 | C9 | H9 | 178.4° | 179.9° |
| C9 | C2 | C3 | C4 | 2.0° | 0.1° |
| C2 | C9 | C7 | C5 | 1.1° | 0.2° |
| C2 | C9 | C7 | N1 | 179.5° | 179.7° |
| C2 | C9 | C7 | H9 | 180.0° | 179.9° |
| C9 | C2 | C3 | H3 | 178.0° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | S1 | 179.5° | 179.9° |
| C3 | C4 | C5 | C7 | 1.4° | 0.1° |
| C4 | C5 | S1 | C7 | 179.1° | 179.9° |
| C4 | C5 | S1 | C6 | 152.7° | 149.4° |
| C4 | C5 | C7 | N1 | 179.3° | 179.8° |
| C4 | C5 | C7 | C9 | 0.9° | 0.1° |
| C5 | C4 | C3 | H3 | 178.1° | 180.0° |
| C5 | S1 | C6 | C8 | 43.6° | 44.5° |
| S1 | C5 | C7 | N1 | 1.6° | 0.4° |
| S1 | C5 | C7 | C9 | 180.0° | 179.8° |
| S1 | C5 | C4 | H4 | 0.6° | 0.2° |
| C5 | S1 | C6 | H62 | 163.9° | 75.1° |
| C5 | S1 | C6 | H61 | 76.8° | 164.7° |
| C7 | C5 | S1 | C6 | 26.4° | 30.5° |
| C5 | C7 | N1 | C9 | 178.4° | 179.9° |
| C5 | C7 | N1 | C8 | 16.2° | 22.3° |
| C5 | C7 | N1 | H1 | 163.9° | 158.0° |
| C7 | C5 | C4 | H4 | 178.6° | 179.9° |
| C5 | C7 | C9 | H9 | 179.0° | 179.9° |
| S1 | C6 | C8 | H62 | 120.3° | 119.5° |
| S1 | C6 | C8 | H61 | 120.3° | 120.4° |
| S1 | C6 | C8 | N1 | 39.4° | 34.6° |
| S1 | C6 | C8 | O2 | 142.0° | 145.3° |
| S1 | C6 | H62 | H61 | 118.9° | 120.4° |
| C6 | C8 | N1 | C7 | 7.2° | 1.2° |
| C6 | C8 | N1 | O2 | 178.5° | 179.9° |
| C6 | C8 | N1 | H1 | 172.8° | 179.1° |
| C8 | C6 | H62 | H61 | 119.0° | 120.2° |
| C7 | N1 | C8 | H1 | 180.0° | 179.7° |
| C7 | N1 | C8 | O2 | 174.3° | 178.9° |
| N1 | C7 | C9 | H9 | 0.5° | 0.2° |
| C9 | C7 | N1 | C8 | 165.4° | 157.9° |
| C9 | C7 | N1 | H1 | 14.6° | 21.8° |
| N1 | C8 | C6 | H62 | 159.7° | 84.8° |
| N1 | C8 | C6 | H61 | 81.0° | 155.0° |
| O2 | C8 | N1 | H1 | 5.7° | 0.8° |
| O2 | C8 | C6 | H62 | 21.7° | 95.3° |
| O2 | C8 | C6 | H61 | 97.6° | 24.9° |
| N2 | C10 | C11 | C25 | 127.6° | 119.9° |
| N2 | C10 | C11 | H10 | 117.7° | 120.2° |
| N2 | C10 | C25 | H10 | 121.8° | 120.3° |
| N2 | C10 | C11 | O3 | 163.2° | 174.3° |
| N2 | C10 | C25 | O5 | 162.2° | 174.4° |
| N2 | C10 | C25 | H251 | 79.3° | 54.5° |
| N2 | C10 | C25 | H252 | 43.7° | 65.6° |
| N2 | C10 | C11 | H112 | 43.6° | 65.8° |
| N2 | C10 | C11 | H111 | 77.2° | 54.5° |
| C11 | C10 | C25 | H10 | 114.4° | 119.9° |
| C10 | C11 | O3 | H112 | 119.6° | 119.9° |
| C10 | C11 | O3 | H111 | 119.6° | 119.8° |
| C10 | C11 | O3 | C12 | 44.2° | 57.9° |
| C11 | C10 | C25 | O5 | 74.0° | 54.5° |
| C11 | C10 | N2 | H2 | 21.7° | 25.0° |
| C11 | C10 | C25 | H251 | 44.5° | 65.4° |
| C11 | C10 | C25 | H252 | 167.6° | 174.5° |
| C10 | C11 | H112 | H111 | 121.1° | 120.3° |
| C25 | C10 | C11 | O3 | 69.1° | 54.5° |
| C10 | C25 | O5 | C12 | 59.3° | 57.9° |
| C10 | C25 | O5 | H251 | 118.5° | 119.8° |
| C10 | C25 | O5 | H252 | 118.5° | 119.9° |
| C25 | C10 | N2 | H2 | 143.0° | 94.4° |
| C10 | C25 | H251 | H252 | 124.3° | 120.1° |
| C25 | C10 | C11 | H112 | 171.2° | 174.3° |
| C25 | C10 | C11 | H111 | 50.5° | 65.3° |
| C11 | O3 | C12 | C13 | 150.6° | 178.8° |
| C11 | O3 | C12 | O5 | 28.9° | 58.7° |
| O3 | C11 | C10 | H10 | 45.6° | 65.5° |
| C11 | O3 | C12 | H12 | 93.4° | 61.2° |
| O3 | C11 | H112 | H111 | 121.1° | 120.2° |
| O3 | C12 | C13 | O5 | 126.3° | 120.1° |
| O3 | C12 | C13 | H12 | 116.9° | 119.9° |
| O3 | C12 | O5 | H12 | 122.4° | 119.9° |
| O3 | C12 | C13 | C14 | 49.8° | 65.0° |
| O3 | C12 | O5 | C25 | 37.9° | 58.7° |
| O3 | C12 | C13 | H131 | 170.6° | 175.0° |
| O3 | C12 | C13 | H132 | 71.0° | 55.0° |
| C12 | O3 | C11 | H112 | 163.9° | 177.8° |
| C12 | O3 | C11 | H111 | 75.4° | 61.9° |
| C13 | C12 | O5 | H12 | 116.1° | 120.0° |
| C12 | C13 | C14 | H131 | 120.7° | 120.0° |
| C12 | C13 | C14 | H132 | 120.8° | 120.0° |
| C12 | C13 | C14 | C15 | 135.9° | 180.0° |
| C13 | C12 | O5 | C25 | 159.4° | 178.8° |
| C12 | C13 | H131 | H132 | 117.6° | 120.0° |
| C12 | C13 | C14 | H141 | 103.2° | 60.0° |
| C12 | C13 | C14 | H142 | 15.0° | 60.0° |
| O5 | C12 | C13 | C14 | 176.1° | 174.9° |
| O5 | C12 | C13 | H131 | 63.1° | 54.9° |
| O5 | C12 | C13 | H132 | 55.3° | 65.0° |
| C12 | O5 | C25 | H251 | 59.2° | 61.9° |
| C12 | O5 | C25 | H252 | 177.8° | 177.8° |
| C13 | C14 | C15 | H141 | 120.9° | 120.0° |
| C13 | C14 | C15 | H142 | 120.9° | 120.0° |
| C13 | C14 | C15 | C16 | 25.5° | 95.0° |
| C13 | C14 | C15 | C24 | 154.5° | 85.0° |
| C14 | C13 | H131 | H132 | 117.6° | 120.0° |
| C14 | C13 | C12 | H12 | 67.0° | 55.0° |
| C13 | C14 | H141 | H142 | 117.2° | 120.0° |
| C14 | C15 | C16 | C24 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 179.8° | 180.0° |
| C14 | C15 | C24 | C18 | 178.2° | 180.0° |
| C14 | C15 | C24 | C23 | 2.3° | 0.0° |
| C15 | C14 | C13 | H131 | 15.2° | 60.0° |
| C15 | C14 | C13 | H132 | 103.3° | 60.0° |
| C15 | C14 | H141 | H142 | 117.2° | 120.0° |
| C14 | C15 | C16 | H16 | 0.2° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | N3 | 1.0° | 0.0° |
| C16 | C15 | C24 | C18 | 1.8° | 0.0° |
| C16 | C15 | C24 | C23 | 177.7° | 180.0° |
| C15 | C16 | C17 | H17 | 179.0° | 179.9° |
| C16 | C15 | C14 | H141 | 146.4° | 145.0° |
| C16 | C15 | C14 | H142 | 95.4° | 25.0° |
| C24 | C15 | C16 | C17 | 0.3° | 0.0° |
| C15 | C24 | C18 | N3 | 3.4° | 0.1° |
| C15 | C24 | C18 | C19 | 176.7° | 180.0° |
| C15 | C24 | C18 | C23 | 175.8° | 180.0° |
| C15 | C24 | C23 | C21 | 172.4° | 180.0° |
| C24 | C15 | C14 | H141 | 33.6° | 35.0° |
| C24 | C15 | C14 | H142 | 84.6° | 155.0° |
| C15 | C24 | C23 | H23 | 7.6° | 0.0° |
| C24 | C15 | C16 | H16 | 179.8° | 179.9° |
| C16 | C17 | N3 | H17 | 180.0° | 179.9° |
| C16 | C17 | N3 | C18 | 0.4° | 0.1° |
| C17 | N3 | C18 | C19 | 174.8° | 180.0° |
| C17 | N3 | C18 | C24 | 2.7° | 0.1° |
| N3 | C17 | C16 | H16 | 179.0° | 179.9° |
| N3 | C18 | C19 | C24 | 173.0° | 179.9° |
| N3 | C18 | C19 | C20 | 156.2° | 179.9° |
| N3 | C18 | C24 | C23 | 179.2° | 180.0° |
| C18 | N3 | C17 | H17 | 179.6° | 180.0° |
| N3 | C18 | C19 | H7 | 23.9° | 0.1° |
| C18 | C19 | C20 | H7 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 45.7° | 0.0° |
| C19 | C18 | C24 | C23 | 7.5° | 0.0° |
| C18 | C19 | C20 | H6 | 134.3° | 180.0° |
| C24 | C18 | C19 | C20 | 30.8° | 0.0° |
| C18 | C24 | C23 | C21 | 3.4° | 0.0° |
| C18 | C24 | C23 | H23 | 176.6° | 180.0° |
| C24 | C18 | C19 | H7 | 149.2° | 180.0° |
| C19 | C20 | C21 | H6 | 180.0° | 179.9° |
| C19 | C20 | C21 | O4 | 155.7° | 179.9° |
| C19 | C20 | C21 | C23 | 28.6° | 0.0° |
| C20 | C21 | O4 | C23 | 175.4° | 180.0° |
| C20 | C21 | O4 | C22 | 176.1° | 0.0° |
| C20 | C21 | C23 | C24 | 8.2° | 0.1° |
| C20 | C21 | C23 | H23 | 171.8° | 180.0° |
| C21 | C20 | C19 | H7 | 134.3° | 180.0° |
| O4 | C21 | C23 | C24 | 175.8° | 179.9° |
| O4 | C21 | C20 | H6 | 24.3° | 0.0° |
| C21 | O4 | C22 | H222 | 180.0° | 60.1° |
| C21 | O4 | C22 | H221 | 60.0° | 60.0° |
| C21 | O4 | C22 | H223 | 60.0° | 180.0° |
| O4 | C21 | C23 | H23 | 4.2° | 0.0° |
| C23 | C21 | O4 | C22 | 0.6° | 180.0° |
| C21 | C23 | C24 | H23 | 180.0° | 180.0° |
| C23 | C21 | C20 | H6 | 151.4° | 180.0° |
| O4 | C22 | H222 | H221 | 120.0° | 120.1° |
| O4 | C22 | H222 | H223 | 120.0° | 119.9° |
| O4 | C22 | H221 | H223 | 120.0° | 120.0° |
| O5 | C25 | C10 | H10 | 40.5° | 65.4° |
| O5 | C25 | H251 | H252 | 124.3° | 120.4° |
| C25 | O5 | C12 | H12 | 84.4° | 61.2° |
| H4 | C4 | C3 | H3 | 1.9° | 0.1° |
| H10 | C10 | N2 | H2 | 95.5° | 145.2° |
| H10 | C10 | C25 | H251 | 158.9° | 174.8° |
| H10 | C10 | C25 | H252 | 78.0° | 54.6° |
| H10 | C10 | C11 | H112 | 74.1° | 54.4° |
| H10 | C10 | C11 | H111 | 165.2° | 174.8° |
| H131 | C13 | C12 | H12 | 53.7° | 65.0° |
| H131 | C13 | C14 | H141 | 136.0° | 180.0° |
| H131 | C13 | C14 | H142 | 105.8° | 60.0° |
| H132 | C13 | C12 | H12 | 172.2° | 175.0° |
| H132 | C13 | C14 | H141 | 17.6° | 60.0° |
| H132 | C13 | C14 | H142 | 135.7° | 180.0° |
| H17 | C17 | C16 | H16 | 1.0° | 0.0° |
| H6 | C20 | C19 | H7 | 45.7° | 0.1° |
| H222 | C22 | H221 | H223 | 119.9° | 120.0° |
