A1BVU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.47Å | |
| C1 | C19 | sing | 1.53Å | 1.54Å | |
| C23 | C1 | sing | 1.53Å | 1.55Å | |
| N1 | C2 | sing | 1.35Å | 1.36Å | |
| C2 | C3 | sing | 1.49Å | 1.45Å | |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| O2 | C3 | doub | 1.22Å | 1.22Å | |
| C3 | C4 | sing | 1.42Å | 1.48Å | |
| C4 | N2 | sing | 1.38Å | 1.34Å | Aromatic |
| C4 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| N2 | C5 | sing | 1.34Å | 1.34Å | Aromatic |
| C8 | N2 | sing | 1.46Å | 1.49Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C5 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | sing | 1.41Å | 1.37Å | Aromatic |
| C6 | C10 | sing | 1.47Å | 1.50Å | |
| C11 | C7 | sing | 1.51Å | 1.50Å | |
| O3 | C10 | doub | 1.22Å | 1.22Å | |
| C10 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | C12 | sing | 1.40Å | 1.42Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.51Å | 1.48Å | |
| F1 | C18 | sing | 1.40Å | 1.37Å | |
| C18 | F2 | sing | 1.40Å | 1.39Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| O4 | C21 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C19 | 110.5° | 109.4° |
| N1 | C1 | C23 | 105.9° | 109.5° |
| C1 | N1 | C2 | 129.4° | 120.0° |
| N1 | C1 | H1 | 109.7° | 109.5° |
| C1 | N1 | H3 | 115.3° | 120.0° |
| C19 | C1 | C23 | 113.4° | 109.5° |
| C1 | C19 | C20 | 114.1° | 109.4° |
| C19 | C1 | H1 | 108.7° | 109.4° |
| C1 | C19 | H191 | 108.3° | 109.4° |
| C1 | C19 | H192 | 108.3° | 109.5° |
| C1 | C23 | C22 | 114.4° | 109.5° |
| C23 | C1 | H1 | 108.7° | 109.5° |
| C1 | C23 | H231 | 108.2° | 109.5° |
| C1 | C23 | H232 | 108.2° | 109.5° |
| N1 | C2 | C3 | 111.7° | 120.0° |
| N1 | C2 | O1 | 129.8° | 120.0° |
| C2 | N1 | H3 | 115.2° | 120.0° |
| C3 | C2 | O1 | 118.5° | 120.0° |
| C2 | C3 | O2 | 118.1° | 120.0° |
| C2 | C3 | C4 | 125.3° | 120.0° |
| O2 | C3 | C4 | 116.5° | 120.0° |
| C3 | C4 | N2 | 126.0° | 126.0° |
| C3 | C4 | C7 | 122.6° | 126.0° |
| N2 | C4 | C7 | 111.2° | 108.0° |
| C4 | N2 | C5 | 107.6° | 109.3° |
| C4 | N2 | C8 | 126.8° | 125.4° |
| C4 | C7 | C6 | 103.6° | 106.9° |
| C4 | C7 | C11 | 130.8° | 126.6° |
| C5 | N2 | C8 | 125.5° | 125.3° |
| N2 | C5 | C6 | 108.1° | 108.7° |
| N2 | C5 | C9 | 126.7° | 125.7° |
| N2 | C8 | H81 | 109.5° | 109.5° |
| N2 | C8 | H82 | 109.5° | 109.5° |
| N2 | C8 | H83 | 109.5° | 109.5° |
| C6 | C5 | C9 | 125.2° | 125.6° |
| C5 | C6 | C7 | 109.5° | 107.2° |
| C5 | C6 | C10 | 125.0° | 126.4° |
| C5 | C9 | H91 | 109.5° | 109.5° |
| C5 | C9 | H92 | 109.5° | 109.4° |
| C5 | C9 | H93 | 109.5° | 109.5° |
| C7 | C6 | C10 | 125.4° | 126.4° |
| C6 | C7 | C11 | 125.6° | 126.6° |
| C6 | C10 | O3 | 117.5° | 120.0° |
| C6 | C10 | N3 | 121.2° | 120.0° |
| C7 | C11 | H111 | 109.5° | 109.4° |
| C7 | C11 | H113 | 109.5° | 109.4° |
| C7 | C11 | H112 | 109.5° | 109.5° |
| O3 | C10 | N3 | 121.3° | 120.0° |
| C10 | N3 | C12 | 122.7° | 120.0° |
| C10 | N3 | H2 | 118.6° | 119.9° |
| N3 | C12 | C13 | 120.0° | 120.1° |
| N3 | C12 | C17 | 121.2° | 120.1° |
| C12 | N3 | H2 | 118.7° | 120.1° |
| C13 | C12 | C17 | 118.8° | 119.8° |
| C12 | C13 | C14 | 122.2° | 119.9° |
| C12 | C13 | H13 | 118.9° | 120.0° |
| C12 | C17 | C16 | 119.0° | 119.9° |
| C12 | C17 | H17 | 120.5° | 120.0° |
| C13 | C14 | C15 | 118.4° | 120.0° |
| C13 | C14 | H14 | 120.7° | 119.9° |
| C14 | C13 | H13 | 118.9° | 120.1° |
| C14 | C15 | C16 | 119.7° | 120.2° |
| C15 | C14 | H14 | 120.8° | 120.0° |
| C14 | C15 | H15 | 120.2° | 119.9° |
| C15 | C16 | C17 | 121.9° | 120.1° |
| C15 | C16 | C18 | 119.1° | 120.0° |
| C16 | C15 | H15 | 120.2° | 119.9° |
| C17 | C16 | C18 | 119.0° | 119.9° |
| C16 | C17 | H17 | 120.5° | 120.1° |
| C16 | C18 | F1 | 109.5° | 109.5° |
| C16 | C18 | F2 | 111.2° | 109.5° |
| C16 | C18 | H18 | 107.2° | 109.5° |
| F1 | C18 | F2 | 111.9° | 109.5° |
| F1 | C18 | H18 | 108.6° | 109.5° |
| F2 | C18 | H18 | 108.4° | 109.5° |
| C19 | C20 | C21 | 110.7° | 109.5° |
| C20 | C19 | H191 | 108.3° | 109.5° |
| C20 | C19 | H192 | 108.3° | 109.5° |
| C19 | C20 | H202 | 109.2° | 109.4° |
| C19 | C20 | H201 | 109.2° | 109.5° |
| C20 | C21 | C22 | 108.3° | 109.5° |
| C20 | C21 | O4 | 109.3° | 109.5° |
| C21 | C20 | H202 | 109.1° | 109.5° |
| C21 | C20 | H201 | 109.2° | 109.5° |
| C20 | C21 | H21 | 108.4° | 109.4° |
| C22 | C21 | O4 | 113.0° | 109.5° |
| C21 | C22 | C23 | 110.1° | 109.5° |
| C22 | C21 | H21 | 108.2° | 109.5° |
| C21 | C22 | H221 | 109.4° | 109.5° |
| C21 | C22 | H222 | 109.3° | 109.5° |
| O4 | C21 | H21 | 109.5° | 109.5° |
| C21 | O4 | HO4 | 109.5° | 114.0° |
| C23 | C22 | H221 | 109.3° | 109.4° |
| C23 | C22 | H222 | 109.3° | 109.5° |
| C22 | C23 | H231 | 108.3° | 109.5° |
| C22 | C23 | H232 | 108.2° | 109.5° |
| H81 | C8 | H82 | 109.4° | 109.5° |
| H81 | C8 | H83 | 109.5° | 109.4° |
| H82 | C8 | H83 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.5° |
| H111 | C11 | H112 | 109.4° | 109.6° |
| H113 | C11 | H112 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H91 | C9 | H93 | 109.5° | 109.5° |
| H92 | C9 | H93 | 109.4° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C19 | C23 | 118.7° | 120.0° |
| N1 | C1 | C19 | H1 | 120.4° | 120.0° |
| N1 | C1 | C23 | H1 | 117.7° | 120.0° |
| C1 | N1 | C2 | H3 | 180.0° | 180.0° |
| C1 | N1 | C2 | C3 | 179.0° | 180.0° |
| C1 | N1 | C2 | O1 | 1.4° | 0.0° |
| N1 | C1 | C19 | C20 | 77.8° | 180.0° |
| N1 | C1 | C23 | C22 | 80.1° | 180.0° |
| N1 | C1 | C19 | H191 | 42.9° | 60.0° |
| N1 | C1 | C19 | H192 | 161.5° | 60.0° |
| N1 | C1 | C23 | H231 | 159.2° | 60.0° |
| N1 | C1 | C23 | H232 | 40.6° | 60.0° |
| C19 | C1 | C23 | H1 | 121.0° | 120.0° |
| C19 | C1 | N1 | C2 | 70.4° | 155.0° |
| C1 | C19 | C20 | H191 | 120.7° | 119.9° |
| C1 | C19 | C20 | H192 | 120.7° | 120.0° |
| C1 | C19 | C20 | C21 | 52.6° | 60.0° |
| C19 | C1 | C23 | C22 | 41.2° | 60.0° |
| C1 | C19 | H191 | H192 | 117.9° | 120.0° |
| C1 | C19 | C20 | H202 | 67.5° | 180.0° |
| C1 | C19 | C20 | H201 | 172.8° | 60.0° |
| C19 | C1 | N1 | H3 | 109.6° | 25.0° |
| C19 | C1 | C23 | H231 | 79.5° | 180.0° |
| C19 | C1 | C23 | H232 | 161.9° | 60.0° |
| C23 | C1 | N1 | C2 | 166.5° | 85.0° |
| C23 | C1 | C19 | C20 | 40.9° | 60.0° |
| C1 | C23 | C22 | C21 | 52.7° | 60.0° |
| C1 | C23 | C22 | H231 | 120.7° | 120.1° |
| C1 | C23 | C22 | H232 | 120.7° | 120.0° |
| C23 | C1 | C19 | H191 | 161.6° | 60.0° |
| C23 | C1 | C19 | H192 | 79.8° | 180.0° |
| C1 | C23 | C22 | H221 | 67.4° | 180.0° |
| C1 | C23 | C22 | H222 | 172.8° | 60.1° |
| C23 | C1 | N1 | H3 | 13.5° | 95.0° |
| C1 | C23 | H231 | H232 | 117.7° | 120.0° |
| N1 | C2 | C3 | O1 | 179.7° | 180.0° |
| N1 | C2 | C3 | O2 | 50.1° | 5.0° |
| N1 | C2 | C3 | C4 | 126.5° | 175.0° |
| C2 | N1 | C1 | H1 | 49.4° | 35.1° |
| C2 | C3 | O2 | C4 | 176.9° | 179.9° |
| C2 | C3 | C4 | N2 | 144.0° | 95.0° |
| C2 | C3 | C4 | C7 | 40.5° | 85.3° |
| C3 | C2 | N1 | H3 | 1.0° | 0.0° |
| O1 | C2 | C3 | O2 | 130.2° | 175.0° |
| O1 | C2 | C3 | C4 | 53.1° | 5.1° |
| O1 | C2 | N1 | H3 | 178.6° | 180.0° |
| O2 | C3 | C4 | N2 | 39.4° | 85.1° |
| O2 | C3 | C4 | C7 | 136.2° | 94.6° |
| C3 | C4 | N2 | C7 | 176.0° | 179.8° |
| C3 | C4 | N2 | C5 | 177.5° | 180.0° |
| C3 | C4 | N2 | C8 | 3.9° | 0.0° |
| C3 | C4 | C7 | C6 | 177.9° | 180.0° |
| C3 | C4 | C7 | C11 | 3.4° | 0.0° |
| C4 | N2 | C5 | C8 | 178.6° | 180.0° |
| C4 | N2 | C5 | C6 | 0.7° | 0.2° |
| C4 | N2 | C5 | C9 | 179.0° | 179.9° |
| N2 | C4 | C7 | C6 | 1.8° | 0.2° |
| N2 | C4 | C7 | C11 | 179.5° | 179.8° |
| C4 | N2 | C8 | H81 | 180.0° | 89.9° |
| C4 | N2 | C8 | H82 | 60.0° | 150.0° |
| C4 | N2 | C8 | H83 | 60.0° | 30.0° |
| C7 | C4 | N2 | C5 | 1.5° | 0.2° |
| C7 | C4 | N2 | C8 | 179.9° | 179.8° |
| C4 | C7 | C6 | C5 | 1.3° | 0.1° |
| C4 | C7 | C6 | C11 | 178.8° | 180.0° |
| C4 | C7 | C6 | C10 | 178.6° | 179.9° |
| C4 | C7 | C11 | H111 | 90.8° | 95.1° |
| C4 | C7 | C11 | H113 | 149.2° | 145.0° |
| C4 | C7 | C11 | H112 | 29.1° | 25.0° |
| N2 | C5 | C6 | C9 | 179.7° | 179.9° |
| N2 | C5 | C6 | C7 | 0.4° | 0.0° |
| N2 | C5 | C6 | C10 | 177.7° | 180.0° |
| C5 | N2 | C8 | H81 | 1.7° | 90.0° |
| C5 | N2 | C8 | H82 | 121.6° | 30.0° |
| C5 | N2 | C8 | H83 | 118.3° | 150.0° |
| N2 | C5 | C9 | H91 | 89.8° | 89.9° |
| N2 | C5 | C9 | H92 | 150.2° | 30.1° |
| N2 | C5 | C9 | H93 | 30.2° | 150.0° |
| C8 | N2 | C5 | C6 | 179.3° | 179.9° |
| C8 | N2 | C5 | C9 | 0.4° | 0.1° |
| N2 | C8 | H81 | H82 | 120.0° | 120.1° |
| N2 | C8 | H81 | H83 | 120.0° | 120.0° |
| N2 | C8 | H82 | H83 | 120.0° | 120.0° |
| C5 | C6 | C7 | C10 | 177.3° | 180.0° |
| C5 | C6 | C7 | C11 | 179.9° | 179.9° |
| C5 | C6 | C10 | O3 | 35.5° | 90.0° |
| C5 | C6 | C10 | N3 | 147.3° | 90.0° |
| C6 | C5 | C9 | H91 | 89.8° | 90.0° |
| C6 | C5 | C9 | H92 | 30.2° | 150.0° |
| C6 | C5 | C9 | H93 | 150.2° | 30.1° |
| C9 | C5 | C6 | C7 | 179.9° | 179.9° |
| C9 | C5 | C6 | C10 | 2.6° | 0.1° |
| C5 | C9 | H91 | H92 | 120.0° | 120.0° |
| C5 | C9 | H91 | H93 | 120.0° | 120.1° |
| C5 | C9 | H92 | H93 | 120.0° | 120.0° |
| C7 | C6 | C10 | O3 | 141.3° | 90.0° |
| C7 | C6 | C10 | N3 | 35.9° | 90.0° |
| C6 | C7 | C11 | H111 | 90.7° | 84.9° |
| C6 | C7 | C11 | H113 | 29.3° | 35.0° |
| C6 | C7 | C11 | H112 | 149.3° | 155.0° |
| C10 | C6 | C7 | C11 | 2.7° | 0.1° |
| C6 | C10 | O3 | N3 | 177.2° | 180.0° |
| C6 | C10 | N3 | C12 | 179.4° | 175.4° |
| C6 | C10 | N3 | H2 | 0.6° | 4.5° |
| C7 | C11 | H111 | H113 | 120.0° | 119.9° |
| C7 | C11 | H111 | H112 | 120.0° | 120.0° |
| C7 | C11 | H113 | H112 | 120.0° | 120.0° |
| O3 | C10 | N3 | C12 | 2.4° | 4.6° |
| O3 | C10 | N3 | H2 | 177.7° | 175.4° |
| C10 | N3 | C12 | H2 | 180.0° | 179.9° |
| C10 | N3 | C12 | C13 | 128.0° | 35.1° |
| C10 | N3 | C12 | C17 | 52.9° | 144.9° |
| N3 | C12 | C13 | C17 | 179.1° | 180.0° |
| N3 | C12 | C13 | C14 | 179.0° | 180.0° |
| N3 | C12 | C17 | C16 | 179.4° | 179.8° |
| N3 | C12 | C13 | H13 | 1.0° | 0.0° |
| N3 | C12 | C17 | H17 | 0.6° | 0.3° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | C17 | C16 | 0.3° | 0.2° |
| C12 | C13 | C14 | H14 | 179.8° | 179.7° |
| C13 | C12 | C17 | H17 | 179.7° | 179.7° |
| C13 | C12 | N3 | H2 | 52.0° | 144.9° |
| C17 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C17 | C16 | C15 | 0.6° | 0.5° |
| C12 | C17 | C16 | H17 | 180.0° | 179.9° |
| C12 | C17 | C16 | C18 | 179.4° | 180.0° |
| C17 | C12 | C13 | H13 | 179.9° | 180.0° |
| C17 | C12 | N3 | H2 | 127.1° | 35.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 0.1° | 0.3° |
| C13 | C14 | C15 | H15 | 179.9° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.5° | 0.5° |
| C14 | C15 | C16 | C18 | 179.2° | 180.0° |
| C15 | C14 | C13 | H13 | 179.8° | 180.0° |
| C15 | C16 | C17 | C18 | 178.7° | 179.4° |
| C15 | C16 | C18 | F1 | 81.5° | 150.0° |
| C15 | C16 | C18 | F2 | 154.3° | 30.0° |
| C16 | C15 | C14 | H14 | 179.9° | 180.0° |
| C15 | C16 | C18 | H18 | 36.0° | 90.0° |
| C15 | C16 | C17 | H17 | 179.4° | 179.4° |
| C17 | C16 | C18 | F1 | 99.7° | 29.4° |
| C17 | C16 | C18 | F2 | 24.5° | 149.5° |
| C17 | C16 | C18 | H18 | 142.7° | 90.5° |
| C17 | C16 | C15 | H15 | 179.5° | 179.5° |
| C16 | C18 | F1 | F2 | 123.8° | 120.0° |
| C16 | C18 | F1 | H18 | 116.7° | 120.0° |
| C16 | C18 | F2 | H18 | 117.5° | 120.0° |
| C18 | C16 | C15 | H15 | 0.7° | 0.0° |
| C18 | C16 | C17 | H17 | 0.6° | 0.0° |
| F1 | C18 | F2 | H18 | 119.7° | 120.0° |
| C19 | C20 | C21 | H202 | 120.2° | 119.9° |
| C19 | C20 | C21 | H201 | 120.2° | 120.0° |
| C19 | C20 | C21 | C22 | 63.2° | 60.0° |
| C19 | C20 | C21 | O4 | 173.3° | 60.0° |
| C20 | C19 | C1 | H1 | 161.8° | 60.0° |
| C20 | C19 | H191 | H192 | 117.9° | 120.0° |
| C19 | C20 | H202 | H201 | 119.5° | 120.0° |
| C19 | C20 | C21 | H21 | 54.0° | 180.0° |
| C20 | C21 | C22 | O4 | 121.3° | 120.0° |
| C20 | C21 | C22 | H21 | 117.3° | 119.9° |
| C20 | C21 | O4 | H21 | 118.6° | 119.9° |
| C20 | C21 | C22 | C23 | 63.1° | 60.0° |
| C21 | C20 | C19 | H191 | 173.3° | 60.0° |
| C21 | C20 | C19 | H192 | 68.1° | 180.0° |
| C21 | C20 | H202 | H201 | 119.4° | 120.1° |
| C20 | C21 | C22 | H221 | 57.0° | 180.0° |
| C20 | C21 | C22 | H222 | 176.8° | 60.0° |
| C20 | C21 | O4 | HO4 | 180.0° | 180.0° |
| C22 | C21 | O4 | H21 | 120.7° | 120.0° |
| C21 | C22 | C23 | H221 | 120.1° | 120.0° |
| C21 | C22 | C23 | H222 | 120.1° | 120.1° |
| C22 | C21 | C20 | H202 | 56.9° | 180.0° |
| C22 | C21 | C20 | H201 | 176.6° | 60.0° |
| C21 | C22 | H221 | H222 | 119.7° | 120.1° |
| C21 | C22 | C23 | H231 | 68.0° | 179.9° |
| C21 | C22 | C23 | H232 | 173.4° | 60.0° |
| C22 | C21 | O4 | HO4 | 59.3° | 59.9° |
| O4 | C21 | C22 | C23 | 175.6° | 60.0° |
| O4 | C21 | C20 | H202 | 66.6° | 59.9° |
| O4 | C21 | C20 | H201 | 53.1° | 180.0° |
| O4 | C21 | C22 | H221 | 64.3° | 60.0° |
| O4 | C21 | C22 | H222 | 55.5° | 180.0° |
| C22 | C23 | C1 | H1 | 162.2° | 60.0° |
| C23 | C22 | C21 | H21 | 54.2° | 180.0° |
| C23 | C22 | H221 | H222 | 119.7° | 119.9° |
| C22 | C23 | H231 | H232 | 117.8° | 120.0° |
| H1 | C1 | C19 | H191 | 77.5° | 180.0° |
| H1 | C1 | C19 | H192 | 41.1° | 60.0° |
| H1 | C1 | N1 | H3 | 130.6° | 145.0° |
| H1 | C1 | C23 | H231 | 41.4° | 60.0° |
| H1 | C1 | C23 | H232 | 77.1° | 180.0° |
| H81 | C8 | H82 | H83 | 120.0° | 119.9° |
| H111 | C11 | H113 | H112 | 119.9° | 120.1° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| H14 | C14 | C13 | H13 | 0.2° | 0.2° |
| H191 | C19 | C20 | H202 | 53.2° | 60.0° |
| H191 | C19 | C20 | H201 | 66.5° | 180.0° |
| H192 | C19 | C20 | H202 | 171.8° | 60.0° |
| H192 | C19 | C20 | H201 | 52.1° | 60.0° |
| H202 | C20 | C21 | H21 | 174.1° | 60.1° |
| H201 | C20 | C21 | H21 | 66.2° | 60.0° |
| H21 | C21 | C22 | H221 | 174.3° | 60.1° |
| H21 | C21 | C22 | H222 | 65.9° | 59.9° |
| H21 | C21 | O4 | HO4 | 61.4° | 60.1° |
| H221 | C22 | C23 | H231 | 171.9° | 59.9° |
| H221 | C22 | C23 | H232 | 53.3° | 60.0° |
| H222 | C22 | C23 | H231 | 52.1° | 60.0° |
| H222 | C22 | C23 | H232 | 66.5° | 180.0° |
| H91 | C9 | H92 | H93 | 120.0° | 120.0° |
