413
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C31 | doub | 1.21Å | 1.23Å | |
| C31 | N4 | sing | 1.35Å | 1.34Å | |
| C31 | C8 | sing | 1.51Å | 1.50Å | |
| N4 | C23 | sing | 1.46Å | 1.45Å | |
| N4 | H4 | sing | 0.97Å | 1.02Å | |
| C23 | C24 | sing | 1.51Å | 1.49Å | |
| C23 | C30 | sing | 1.51Å | 1.50Å | |
| C23 | H23 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | O30 | doub | 1.34Å | 1.25Å | |
| C30 | O40 | sing | 1.21Å | 1.25Å | |
| O40 | H40 | sing | 4.58Å | 0.95Å | |
| C8 | N3 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| N3 | C5 | sing | 1.39Å | 1.36Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | HA | sing | 1.08Å | 1.10Å | |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | HB | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C2 | C1 | sing | 1.48Å | 1.50Å | |
| C1 | N2 | doub | 1.38Å | 1.34Å | |
| C1 | N1 | sing | 1.30Å | 1.34Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| N1 | H1N1 | sing | 8.83Å | 1.02Å | |
| N1 | H1N2 | sing | 0.97Å | 1.02Å | |
| C9 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C13 | O3 | sing | 1.36Å | 1.38Å | |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| O3 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å | |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | O4 | sing | 1.36Å | 1.38Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| O4 | C16 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C31 | N4 | 121.4° | 120.0° |
| O31 | C31 | C8 | 122.4° | 120.0° |
| N4 | C31 | C8 | 116.3° | 120.0° |
| C31 | N4 | C23 | 121.1° | 120.0° |
| C31 | N4 | H4 | 119.5° | 120.0° |
| C31 | C8 | N3 | 110.7° | 109.5° |
| C31 | C8 | C9 | 107.8° | 109.5° |
| C31 | C8 | H8 | 108.8° | 109.5° |
| C23 | N4 | H4 | 119.5° | 120.1° |
| N4 | C23 | C24 | 107.3° | 109.4° |
| N4 | C23 | C30 | 111.3° | 109.5° |
| N4 | C23 | H23 | 110.7° | 109.5° |
| C24 | C23 | C30 | 105.9° | 109.5° |
| C24 | C23 | H23 | 110.7° | 109.4° |
| C23 | C24 | C25 | 120.4° | 120.0° |
| C23 | C24 | C29 | 120.2° | 120.0° |
| C30 | C23 | H23 | 110.7° | 109.5° |
| C23 | C30 | O30 | 118.0° | 120.0° |
| C23 | C30 | O40 | 117.7° | 120.0° |
| C25 | C24 | C29 | 119.4° | 120.1° |
| C24 | C25 | C26 | 121.1° | 120.0° |
| C24 | C25 | H25 | 119.4° | 120.0° |
| C24 | C29 | C28 | 119.9° | 120.0° |
| C24 | C29 | H29 | 120.1° | 120.0° |
| C26 | C25 | H25 | 119.5° | 120.0° |
| C25 | C26 | C27 | 119.0° | 120.0° |
| C25 | C26 | H26 | 120.5° | 120.0° |
| C27 | C26 | H26 | 120.5° | 120.0° |
| C26 | C27 | C28 | 120.5° | 120.0° |
| C26 | C27 | H27 | 119.8° | 120.0° |
| C28 | C27 | H27 | 119.8° | 120.0° |
| C27 | C28 | C29 | 120.1° | 120.0° |
| C27 | C28 | H28 | 120.0° | 120.0° |
| C29 | C28 | H28 | 119.9° | 120.0° |
| C28 | C29 | H29 | 120.1° | 120.0° |
| O30 | C30 | O40 | 124.3° | 120.0° |
| C30 | O40 | H40 | 117.7° | 82.1° |
| N3 | C8 | C9 | 112.0° | 109.5° |
| N3 | C8 | H8 | 108.7° | 109.4° |
| C8 | N3 | C5 | 125.2° | 120.0° |
| C8 | N3 | H3 | 117.4° | 120.0° |
| C9 | C8 | H8 | 108.8° | 109.5° |
| C8 | C9 | C14 | 121.9° | 119.9° |
| C8 | C9 | C10 | 119.0° | 119.9° |
| C5 | N3 | H3 | 117.4° | 120.0° |
| N3 | C5 | C4 | 122.0° | 119.9° |
| N3 | C5 | C6 | 119.2° | 119.9° |
| C4 | C5 | C6 | 118.7° | 120.1° |
| C5 | C4 | C3 | 120.4° | 120.1° |
| C5 | C4 | HA | 119.8° | 119.9° |
| C5 | C6 | C7 | 121.6° | 120.1° |
| C5 | C6 | H6 | 119.2° | 120.0° |
| C3 | C4 | HA | 119.8° | 120.0° |
| C4 | C3 | C2 | 120.6° | 119.9° |
| C4 | C3 | HB | 119.7° | 120.1° |
| C2 | C3 | HB | 119.7° | 120.0° |
| C3 | C2 | C7 | 119.9° | 119.9° |
| C3 | C2 | C1 | 118.2° | 120.1° |
| C7 | C6 | H6 | 119.2° | 120.0° |
| C6 | C7 | C2 | 118.7° | 119.9° |
| C6 | C7 | H7 | 120.7° | 120.0° |
| C2 | C7 | H7 | 120.6° | 120.0° |
| C7 | C2 | C1 | 121.8° | 120.0° |
| C2 | C1 | N2 | 121.7° | 120.0° |
| C2 | C1 | N1 | 117.5° | 120.0° |
| N2 | C1 | N1 | 120.9° | 120.0° |
| C1 | N2 | HN2 | 118.7° | 120.0° |
| C1 | N1 | H1N1 | 117.5° | 42.7° |
| C1 | N1 | H1N2 | 120.8° | 120.0° |
| H1N1 | N1 | H1N2 | 121.7° | 162.7° |
| C14 | C9 | C10 | 119.1° | 120.2° |
| C9 | C14 | C13 | 121.1° | 120.0° |
| C9 | C14 | H14 | 119.5° | 120.0° |
| C9 | C10 | C11 | 119.7° | 120.1° |
| C9 | C10 | H10 | 120.1° | 120.0° |
| C13 | C14 | H14 | 119.4° | 120.0° |
| C14 | C13 | O3 | 121.2° | 120.1° |
| C14 | C13 | C12 | 119.8° | 119.9° |
| O3 | C13 | C12 | 119.1° | 120.1° |
| C13 | O3 | C15 | 121.0° | 106.8° |
| C13 | C12 | C11 | 119.4° | 119.8° |
| C13 | C12 | O4 | 119.0° | 120.1° |
| O3 | C15 | H151 | 121.0° | 109.5° |
| O3 | C15 | H152 | 108.1° | 109.4° |
| O3 | C15 | H153 | 108.1° | 109.5° |
| H151 | C15 | H152 | 108.1° | 109.5° |
| H151 | C15 | H153 | 108.1° | 109.5° |
| H152 | C15 | H153 | 101.8° | 109.4° |
| C11 | C12 | O4 | 121.6° | 120.1° |
| C12 | C11 | C10 | 120.9° | 120.0° |
| C12 | C11 | H11 | 119.6° | 120.0° |
| C12 | O4 | C16 | 123.2° | 106.8° |
| C10 | C11 | H11 | 119.5° | 120.0° |
| C11 | C10 | H10 | 120.2° | 119.9° |
| O4 | C16 | C17 | 111.5° | 109.5° |
| O4 | C16 | H161 | 111.5° | 109.5° |
| O4 | C16 | H162 | 111.4° | 109.5° |
| C17 | C16 | H161 | 111.5° | 109.5° |
| C17 | C16 | H162 | 111.4° | 109.4° |
| C16 | C17 | C22 | 121.9° | 120.0° |
| C16 | C17 | C18 | 119.2° | 120.0° |
| H161 | C16 | H162 | 98.9° | 109.5° |
| C22 | C17 | C18 | 118.9° | 120.0° |
| C17 | C22 | C21 | 120.6° | 120.0° |
| C17 | C22 | H22 | 119.7° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C21 | C22 | H22 | 119.7° | 120.0° |
| C22 | C21 | C20 | 120.5° | 120.0° |
| C22 | C21 | H21 | 119.8° | 120.0° |
| C20 | C21 | H21 | 119.8° | 120.0° |
| C21 | C20 | C19 | 119.2° | 120.0° |
| C21 | C20 | H20 | 120.4° | 120.0° |
| C19 | C20 | H20 | 120.4° | 120.0° |
| C20 | C19 | C18 | 120.5° | 120.0° |
| C20 | C19 | H19 | 119.7° | 120.0° |
| C18 | C19 | H19 | 119.7° | 120.0° |
| C19 | C18 | H18 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C31 | N4 | C8 | 179.3° | 180.0° |
| O31 | C31 | N4 | C23 | 2.7° | 0.0° |
| O31 | C31 | N4 | H4 | 177.3° | 180.0° |
| O31 | C31 | C8 | N3 | 18.0° | 0.0° |
| O31 | C31 | C8 | C9 | 104.8° | 120.0° |
| O31 | C31 | C8 | H8 | 137.4° | 120.0° |
| C31 | N4 | C23 | H4 | 180.0° | 180.0° |
| C31 | N4 | C23 | C24 | 67.9° | 155.0° |
| C31 | N4 | C23 | C30 | 176.6° | 85.0° |
| C31 | N4 | C23 | H23 | 53.0° | 35.0° |
| N4 | C31 | C8 | N3 | 162.7° | 180.0° |
| N4 | C31 | C8 | C9 | 74.4° | 60.0° |
| N4 | C31 | C8 | H8 | 43.3° | 60.0° |
| C8 | C31 | N4 | C23 | 176.6° | 180.0° |
| C8 | C31 | N4 | H4 | 3.4° | 0.0° |
| C31 | C8 | N3 | C9 | 120.3° | 120.0° |
| C31 | C8 | N3 | H8 | 119.4° | 120.0° |
| C31 | C8 | C9 | H8 | 117.7° | 120.0° |
| C31 | C8 | N3 | C5 | 159.2° | 85.0° |
| C31 | C8 | N3 | H3 | 20.8° | 95.0° |
| C31 | C8 | C9 | C14 | 69.3° | 100.0° |
| C31 | C8 | C9 | C10 | 109.6° | 79.9° |
| N4 | C23 | C24 | C30 | 119.0° | 120.0° |
| N4 | C23 | C24 | H23 | 121.0° | 120.0° |
| N4 | C23 | C30 | H23 | 123.6° | 120.0° |
| N4 | C23 | C24 | C25 | 32.3° | 140.0° |
| N4 | C23 | C24 | C29 | 146.9° | 39.7° |
| N4 | C23 | C30 | O30 | 7.0° | 179.9° |
| N4 | C23 | C30 | O40 | 173.4° | 0.0° |
| H4 | N4 | C23 | C24 | 112.1° | 25.0° |
| H4 | N4 | C23 | C30 | 3.4° | 95.0° |
| H4 | N4 | C23 | H23 | 127.0° | 145.0° |
| C24 | C23 | C30 | H23 | 120.0° | 120.0° |
| C23 | C24 | C25 | C29 | 179.2° | 179.7° |
| C23 | C24 | C25 | C26 | 179.4° | 180.0° |
| C23 | C24 | C25 | H25 | 0.6° | 0.0° |
| C23 | C24 | C29 | C28 | 180.0° | 179.8° |
| C23 | C24 | C29 | H29 | 0.1° | 0.3° |
| C24 | C23 | C30 | O30 | 109.4° | 59.9° |
| C24 | C23 | C30 | O40 | 70.3° | 120.0° |
| C30 | C23 | C24 | C25 | 86.7° | 100.0° |
| C30 | C23 | C24 | C29 | 94.1° | 80.3° |
| C23 | C30 | O30 | O40 | 179.7° | 179.9° |
| C23 | C30 | O40 | H40 | 180.0° | 5.5° |
| H23 | C23 | C24 | C25 | 153.2° | 20.0° |
| H23 | C23 | C24 | C29 | 26.0° | 159.7° |
| H23 | C23 | C30 | O30 | 130.6° | 60.0° |
| H23 | C23 | C30 | O40 | 49.7° | 120.1° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.9° | 0.0° |
| C24 | C25 | C26 | H26 | 179.1° | 179.9° |
| C25 | C24 | C29 | C28 | 0.8° | 0.5° |
| C25 | C24 | C29 | H29 | 179.3° | 180.0° |
| C29 | C24 | C25 | C26 | 0.2° | 0.3° |
| C29 | C24 | C25 | H25 | 179.8° | 179.7° |
| C24 | C29 | C28 | C27 | 0.3° | 0.5° |
| C24 | C29 | C28 | H29 | 180.0° | 179.5° |
| C24 | C29 | C28 | H28 | 179.7° | 179.7° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 1.4° | 0.0° |
| C25 | C26 | C27 | H27 | 178.7° | 179.9° |
| H25 | C25 | C26 | C27 | 179.1° | 180.0° |
| H25 | C25 | C26 | H26 | 0.8° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.8° | 0.2° |
| C26 | C27 | C28 | H28 | 179.2° | 180.0° |
| H26 | C26 | C27 | C28 | 178.6° | 180.0° |
| H26 | C26 | C27 | H27 | 1.3° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.8° |
| C27 | C28 | C29 | H29 | 179.8° | 180.0° |
| H27 | C27 | C28 | C29 | 179.2° | 179.8° |
| H27 | C27 | C28 | H28 | 0.8° | 0.0° |
| H28 | C28 | C29 | H29 | 0.2° | 0.2° |
| O30 | C30 | O40 | H40 | 0.3° | 174.6° |
| N3 | C8 | C9 | H8 | 120.2° | 120.0° |
| C8 | N3 | C5 | H3 | 180.0° | 180.0° |
| C8 | N3 | C5 | C4 | 5.6° | 180.0° |
| C8 | N3 | C5 | C6 | 172.2° | 0.3° |
| N3 | C8 | C9 | C14 | 52.8° | 140.0° |
| N3 | C8 | C9 | C10 | 128.4° | 40.0° |
| C9 | C8 | N3 | C5 | 80.5° | 155.0° |
| C9 | C8 | N3 | H3 | 99.5° | 25.0° |
| C8 | C9 | C14 | C10 | 178.9° | 179.9° |
| C8 | C9 | C14 | C13 | 178.8° | 180.0° |
| C8 | C9 | C14 | H14 | 1.2° | 0.0° |
| C8 | C9 | C10 | C11 | 179.3° | 180.0° |
| C8 | C9 | C10 | H10 | 0.7° | 0.0° |
| H8 | C8 | N3 | C5 | 39.8° | 35.0° |
| H8 | C8 | N3 | H3 | 140.2° | 145.0° |
| H8 | C8 | C9 | C14 | 173.0° | 20.0° |
| H8 | C8 | C9 | C10 | 8.1° | 160.0° |
| N3 | C5 | C4 | C6 | 177.9° | 179.7° |
| N3 | C5 | C4 | C3 | 179.7° | 180.0° |
| N3 | C5 | C4 | HA | 0.4° | 0.0° |
| N3 | C5 | C6 | C7 | 179.4° | 179.7° |
| N3 | C5 | C6 | H6 | 0.6° | 0.3° |
| H3 | N3 | C5 | C4 | 174.4° | 0.0° |
| H3 | N3 | C5 | C6 | 7.7° | 179.7° |
| C5 | C4 | C3 | HA | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 1.8° | 0.0° |
| C5 | C4 | C3 | HB | 178.3° | 180.0° |
| C4 | C5 | C6 | C7 | 1.5° | 0.6° |
| C4 | C5 | C6 | H6 | 178.5° | 180.0° |
| C6 | C5 | C4 | C3 | 1.8° | 0.3° |
| C6 | C5 | C4 | HA | 178.2° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 179.5° |
| C5 | C6 | C7 | C2 | 1.1° | 0.5° |
| C5 | C6 | C7 | H7 | 178.9° | 179.7° |
| C4 | C3 | C2 | HB | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 1.4° | 0.0° |
| C4 | C3 | C2 | C1 | 179.8° | 180.0° |
| HA | C4 | C3 | C2 | 178.3° | 180.0° |
| HA | C4 | C3 | HB | 1.7° | 0.0° |
| C3 | C2 | C7 | C6 | 1.0° | 0.2° |
| C3 | C2 | C7 | C1 | 178.8° | 180.0° |
| C3 | C2 | C7 | H7 | 179.0° | 180.0° |
| C3 | C2 | C1 | N2 | 178.9° | 180.0° |
| C3 | C2 | C1 | N1 | 1.1° | 0.0° |
| HB | C3 | C2 | C7 | 178.6° | 180.0° |
| HB | C3 | C2 | C1 | 0.2° | 0.0° |
| C6 | C7 | C2 | H7 | 180.0° | 179.8° |
| C6 | C7 | C2 | C1 | 179.8° | 179.8° |
| H6 | C6 | C7 | C2 | 178.9° | 180.0° |
| H6 | C6 | C7 | H7 | 1.1° | 0.2° |
| C7 | C2 | C1 | N2 | 2.3° | 0.0° |
| C7 | C2 | C1 | N1 | 177.7° | 180.0° |
| H7 | C7 | C2 | C1 | 0.2° | 0.0° |
| C2 | C1 | N2 | N1 | 180.0° | 180.0° |
| C2 | C1 | N2 | HN2 | 104.2° | 180.0° |
| C2 | C1 | N1 | H1N1 | 180.0° | 1.3° |
| C2 | C1 | N1 | H1N2 | 0.0° | 180.0° |
| N2 | C1 | N1 | H1N1 | 0.0° | 178.7° |
| N2 | C1 | N1 | H1N2 | 180.0° | 0.0° |
| N1 | C1 | N2 | HN2 | 75.8° | 0.0° |
| C1 | N1 | H1N1 | H1N2 | 180.0° | 3.9° |
| C9 | C14 | C13 | H14 | 180.0° | 180.0° |
| C9 | C14 | C13 | O3 | 179.0° | 180.0° |
| C9 | C14 | C13 | C12 | 0.7° | 0.2° |
| C14 | C9 | C10 | C11 | 0.4° | 0.1° |
| C14 | C9 | C10 | H10 | 179.6° | 180.0° |
| C10 | C9 | C14 | C13 | 0.1° | 0.1° |
| C10 | C9 | C14 | H14 | 179.9° | 180.0° |
| C9 | C10 | C11 | C12 | 0.3° | 0.2° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| C14 | C13 | O3 | C12 | 178.3° | 179.8° |
| C14 | C13 | O3 | C15 | 10.5° | 0.0° |
| C14 | C13 | C12 | C11 | 0.8° | 0.4° |
| C14 | C13 | C12 | O4 | 179.2° | 180.0° |
| H14 | C14 | C13 | O3 | 1.0° | 0.1° |
| H14 | C14 | C13 | C12 | 179.3° | 179.8° |
| C13 | O3 | C15 | H151 | 180.0° | 60.0° |
| C13 | O3 | C15 | H152 | 54.7° | 179.9° |
| C13 | O3 | C15 | H153 | 54.7° | 60.0° |
| O3 | C13 | C12 | C11 | 179.2° | 179.7° |
| O3 | C13 | C12 | O4 | 0.8° | 0.2° |
| C12 | C13 | O3 | C15 | 171.2° | 179.8° |
| C13 | C12 | C11 | O4 | 180.0° | 179.6° |
| C13 | C12 | C11 | C10 | 0.3° | 0.4° |
| C13 | C12 | C11 | H11 | 179.6° | 179.7° |
| C13 | C12 | O4 | C16 | 161.4° | 179.5° |
| O3 | C15 | H151 | H152 | 125.3° | 120.0° |
| O3 | C15 | H151 | H153 | 125.3° | 120.0° |
| O3 | C15 | H152 | H153 | 113.7° | 120.0° |
| H151 | C15 | H152 | H153 | 113.7° | 120.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.8° |
| C12 | C11 | C10 | H10 | 179.8° | 179.8° |
| C11 | C12 | O4 | C16 | 18.6° | 0.1° |
| O4 | C12 | C11 | C10 | 179.7° | 180.0° |
| O4 | C12 | C11 | H11 | 0.4° | 0.2° |
| C12 | O4 | C16 | C17 | 80.6° | 180.0° |
| C12 | O4 | C16 | H161 | 154.1° | 60.0° |
| C12 | O4 | C16 | H162 | 44.7° | 60.1° |
| H11 | C11 | C10 | H10 | 0.2° | 0.0° |
| O4 | C16 | C17 | H161 | 125.3° | 120.0° |
| O4 | C16 | C17 | H162 | 125.2° | 120.0° |
| O4 | C16 | H161 | H162 | 117.4° | 120.0° |
| O4 | C16 | C17 | C22 | 9.0° | 90.0° |
| O4 | C16 | C17 | C18 | 171.3° | 90.3° |
| C17 | C16 | H161 | H162 | 117.3° | 120.0° |
| C16 | C17 | C22 | C18 | 179.7° | 179.7° |
| C16 | C17 | C22 | C21 | 179.5° | 180.0° |
| C16 | C17 | C22 | H22 | 0.5° | 0.1° |
| C16 | C17 | C18 | C19 | 179.4° | 179.8° |
| C16 | C17 | C18 | H18 | 0.6° | 0.2° |
| H161 | C16 | C17 | C22 | 116.3° | 30.0° |
| H161 | C16 | C17 | C18 | 63.4° | 149.7° |
| H162 | C16 | C17 | C22 | 134.2° | 150.0° |
| H162 | C16 | C17 | C18 | 46.1° | 29.7° |
| C17 | C22 | C21 | H22 | 180.0° | 179.9° |
| C17 | C22 | C21 | C20 | 0.6° | 0.1° |
| C17 | C22 | C21 | H21 | 179.3° | 179.9° |
| C22 | C17 | C18 | C19 | 0.9° | 0.5° |
| C22 | C17 | C18 | H18 | 179.1° | 179.9° |
| C18 | C17 | C22 | C21 | 0.8° | 0.3° |
| C18 | C17 | C22 | H22 | 179.2° | 179.8° |
| C17 | C18 | C19 | C20 | 0.8° | 0.5° |
| C17 | C18 | C19 | H18 | 180.0° | 179.5° |
| C17 | C18 | C19 | H19 | 179.1° | 179.7° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.6° | 0.0° |
| C22 | C21 | C20 | H20 | 179.4° | 180.0° |
| H22 | C22 | C21 | C20 | 179.4° | 180.0° |
| H22 | C22 | C21 | H21 | 0.6° | 0.0° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.7° | 0.2° |
| C21 | C20 | C19 | H19 | 179.3° | 180.0° |
| H21 | C21 | C20 | C19 | 179.4° | 180.0° |
| H21 | C21 | C20 | H20 | 0.6° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.8° |
| C20 | C19 | C18 | H18 | 179.2° | 180.0° |
| H20 | C20 | C19 | C18 | 179.3° | 179.8° |
| H20 | C20 | C19 | H19 | 0.7° | 0.0° |
| H19 | C19 | C18 | H18 | 0.9° | 0.2° |
