751
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | O4 | sing | 1.43Å | 1.44Å | |
| O4 | C25 | sing | 1.36Å | 1.36Å | |
| C25 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C18 | sing | 1.48Å | 1.40Å | |
| C18 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| S1 | C16 | sing | 1.76Å | 1.89Å | |
| S1 | O1 | doub | 1.42Å | 1.46Å | |
| S1 | O2 | doub | 1.42Å | 1.49Å | |
| S1 | N1 | sing | 1.66Å | 1.67Å | |
| N1 | C4 | sing | 1.47Å | 1.45Å | |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | N2 | sing | 1.47Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C5 | sing | 1.39Å | 1.42Å | |
| C5 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| N3 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| N4 | C8 | doub | 1.33Å | 1.35Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.42Å | |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | O3 | sing | 1.36Å | 1.36Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| O3 | C15 | sing | 1.43Å | 1.44Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | O4 | C25 | 111.2° | 117.0° |
| O4 | C28 | H281 | 109.5° | 109.5° |
| O4 | C28 | H282 | 109.5° | 109.5° |
| O4 | C28 | H283 | 109.5° | 109.5° |
| O4 | C25 | C26 | 119.9° | 119.9° |
| O4 | C25 | C24 | 120.2° | 119.9° |
| C26 | C25 | C24 | 120.0° | 120.1° |
| C25 | C26 | C27 | 118.8° | 120.1° |
| C25 | C26 | H26 | 120.6° | 119.9° |
| C25 | C24 | C23 | 120.8° | 120.0° |
| C25 | C24 | H24 | 119.6° | 120.0° |
| C26 | C27 | C22 | 121.8° | 119.9° |
| C27 | C26 | H26 | 120.6° | 120.0° |
| C26 | C27 | H27 | 119.1° | 120.1° |
| C27 | C22 | C23 | 119.4° | 119.8° |
| C27 | C22 | C18 | 121.8° | 120.1° |
| C22 | C27 | H27 | 119.1° | 120.0° |
| C24 | C23 | C22 | 119.2° | 120.0° |
| C23 | C24 | H24 | 119.6° | 120.0° |
| C24 | C23 | H23 | 120.4° | 120.0° |
| C23 | C22 | C18 | 118.8° | 120.1° |
| C22 | C23 | H23 | 120.4° | 120.0° |
| C22 | C18 | C17 | 119.2° | 120.1° |
| C22 | C18 | C19 | 121.7° | 120.1° |
| C17 | C18 | C19 | 119.1° | 119.8° |
| C18 | C17 | C16 | 121.9° | 119.9° |
| C18 | C17 | H17 | 119.0° | 120.1° |
| C18 | C19 | C20 | 120.3° | 119.8° |
| C18 | C19 | H19 | 119.8° | 120.1° |
| C17 | C16 | C21 | 116.8° | 120.1° |
| C17 | C16 | S1 | 118.8° | 119.9° |
| C16 | C17 | H17 | 119.0° | 120.1° |
| C19 | C20 | C21 | 119.8° | 120.2° |
| C20 | C19 | H19 | 119.9° | 120.1° |
| C19 | C20 | H20 | 120.1° | 119.9° |
| C20 | C21 | C16 | 122.1° | 120.3° |
| C21 | C20 | H20 | 120.1° | 120.0° |
| C20 | C21 | H21 | 119.0° | 119.9° |
| C21 | C16 | S1 | 124.2° | 120.0° |
| C16 | C21 | H21 | 119.0° | 119.9° |
| C16 | S1 | O1 | 107.2° | 106.4° |
| C16 | S1 | O2 | 111.8° | 106.4° |
| C16 | S1 | N1 | 98.6° | 107.2° |
| O1 | S1 | O2 | 117.6° | 123.2° |
| O1 | S1 | N1 | 112.8° | 106.4° |
| O2 | S1 | N1 | 107.3° | 106.4° |
| S1 | N1 | C4 | 113.5° | 120.9° |
| S1 | N1 | C1 | 108.3° | 120.9° |
| C4 | N1 | C1 | 116.5° | 118.2° |
| N1 | C4 | C3 | 109.5° | 108.5° |
| N1 | C4 | H41C | 109.5° | 109.6° |
| N1 | C4 | H42C | 109.5° | 109.6° |
| N1 | C1 | C2 | 109.1° | 108.5° |
| N1 | C1 | H11C | 109.5° | 109.7° |
| N1 | C1 | H12C | 109.6° | 109.6° |
| C4 | C3 | N2 | 115.6° | 109.3° |
| C3 | C4 | H41C | 109.5° | 109.7° |
| C3 | C4 | H42C | 109.5° | 109.7° |
| C4 | C3 | H31C | 107.9° | 109.4° |
| C4 | C3 | H32C | 107.9° | 109.5° |
| C3 | N2 | C2 | 125.4° | 111.1° |
| C3 | N2 | C5 | 115.5° | 111.0° |
| N2 | C3 | H31C | 107.9° | 109.5° |
| N2 | C3 | H32C | 107.9° | 109.5° |
| C1 | C2 | N2 | 110.0° | 109.4° |
| C2 | C1 | H11C | 109.6° | 109.6° |
| C2 | C1 | H12C | 109.6° | 109.6° |
| C1 | C2 | H21C | 109.3° | 109.5° |
| C1 | C2 | H22C | 109.3° | 109.5° |
| C2 | N2 | C5 | 119.1° | 110.9° |
| N2 | C2 | H21C | 109.3° | 109.5° |
| N2 | C2 | H22C | 109.3° | 109.4° |
| N2 | C5 | N3 | 119.4° | 120.1° |
| N2 | C5 | C8 | 121.1° | 120.2° |
| N3 | C5 | C8 | 119.5° | 119.7° |
| C5 | N3 | C6 | 121.7° | 120.0° |
| C5 | C8 | N4 | 117.7° | 119.6° |
| C5 | C8 | C9 | 124.9° | 120.2° |
| N3 | C6 | C7 | 119.4° | 120.3° |
| N3 | C6 | H6 | 120.3° | 119.8° |
| C6 | C7 | N4 | 119.3° | 120.3° |
| C7 | C6 | H6 | 120.3° | 119.9° |
| C6 | C7 | H7 | 120.3° | 119.8° |
| C7 | N4 | C8 | 122.3° | 120.0° |
| N4 | C7 | H7 | 120.3° | 119.9° |
| N4 | C8 | C9 | 117.2° | 120.2° |
| C8 | C9 | C10 | 121.1° | 120.1° |
| C8 | C9 | C14 | 120.3° | 120.1° |
| C10 | C9 | C14 | 118.3° | 119.8° |
| C9 | C10 | C11 | 120.8° | 119.9° |
| C9 | C10 | H10 | 119.6° | 120.0° |
| C9 | C14 | C13 | 120.9° | 119.9° |
| C9 | C14 | H14 | 119.5° | 120.0° |
| C10 | C11 | C12 | 120.2° | 120.1° |
| C11 | C10 | H10 | 119.6° | 120.1° |
| C10 | C11 | H11 | 119.9° | 120.0° |
| C11 | C12 | O3 | 122.4° | 119.9° |
| C11 | C12 | C13 | 119.7° | 120.1° |
| C12 | C11 | H11 | 119.9° | 119.9° |
| O3 | C12 | C13 | 117.9° | 119.9° |
| C12 | O3 | C15 | 123.0° | 117.0° |
| C12 | C13 | C14 | 120.0° | 120.1° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| O3 | C15 | H151 | 109.5° | 109.4° |
| O3 | C15 | H152 | 109.5° | 109.4° |
| O3 | C15 | H153 | 109.4° | 109.5° |
| C13 | C14 | H14 | 119.5° | 120.1° |
| C14 | C13 | H13 | 120.0° | 119.9° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.4° | 109.5° |
| H41C | C4 | H42C | 109.5° | 109.8° |
| H11C | C1 | H12C | 109.5° | 109.8° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.4° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | O4 | C25 | C26 | 146.7° | 180.0° |
| C28 | O4 | C25 | C24 | 32.5° | 0.3° |
| O4 | C28 | H281 | H282 | 120.0° | 120.0° |
| O4 | C28 | H281 | H283 | 120.0° | 120.0° |
| O4 | C28 | H282 | H283 | 120.0° | 120.0° |
| O4 | C25 | C26 | C24 | 179.2° | 179.7° |
| O4 | C25 | C26 | C27 | 179.0° | 180.0° |
| O4 | C25 | C24 | C23 | 179.1° | 180.0° |
| C25 | O4 | C28 | H281 | 180.0° | 180.0° |
| C25 | O4 | C28 | H282 | 60.0° | 60.0° |
| C25 | O4 | C28 | H283 | 60.0° | 60.0° |
| O4 | C25 | C26 | H26 | 1.0° | 0.0° |
| O4 | C25 | C24 | H24 | 0.9° | 0.1° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C22 | 2.0° | 0.0° |
| C26 | C25 | C24 | C23 | 1.6° | 0.3° |
| C26 | C25 | C24 | H24 | 178.4° | 179.8° |
| C25 | C26 | C27 | H27 | 178.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.3° |
| C25 | C24 | C23 | H24 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 1.8° | 0.0° |
| C24 | C25 | C26 | H26 | 179.7° | 179.7° |
| C25 | C24 | C23 | H23 | 178.2° | 180.0° |
| C26 | C27 | C22 | H27 | 180.0° | 180.0° |
| C26 | C27 | C22 | C23 | 1.8° | 0.3° |
| C26 | C27 | C22 | C18 | 179.1° | 180.0° |
| C27 | C22 | C23 | C24 | 0.1° | 0.3° |
| C27 | C22 | C23 | C18 | 177.3° | 179.7° |
| C27 | C22 | C18 | C17 | 143.6° | 180.0° |
| C27 | C22 | C18 | C19 | 34.0° | 0.3° |
| C22 | C27 | C26 | H26 | 178.0° | 180.0° |
| C27 | C22 | C23 | H23 | 179.9° | 179.7° |
| C24 | C23 | C22 | H23 | 180.0° | 180.0° |
| C24 | C23 | C22 | C18 | 177.2° | 180.0° |
| C23 | C22 | C18 | C17 | 33.7° | 0.3° |
| C23 | C22 | C18 | C19 | 148.7° | 180.0° |
| C22 | C23 | C24 | H24 | 178.2° | 179.9° |
| C23 | C22 | C27 | H27 | 178.2° | 179.7° |
| C22 | C18 | C17 | C19 | 177.6° | 179.7° |
| C22 | C18 | C17 | C16 | 177.8° | 180.0° |
| C22 | C18 | C19 | C20 | 179.0° | 180.0° |
| C18 | C22 | C27 | H27 | 0.9° | 0.0° |
| C18 | C22 | C23 | H23 | 2.8° | 0.0° |
| C22 | C18 | C17 | H17 | 2.2° | 0.0° |
| C22 | C18 | C19 | H19 | 1.0° | 0.0° |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 1.4° | 0.3° |
| C18 | C17 | C16 | C21 | 1.5° | 0.0° |
| C18 | C17 | C16 | S1 | 177.5° | 180.0° |
| C17 | C18 | C19 | H19 | 178.6° | 179.7° |
| C19 | C18 | C17 | C16 | 0.2° | 0.3° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.9° | 0.0° |
| C19 | C18 | C17 | H17 | 179.8° | 179.8° |
| C18 | C19 | C20 | H20 | 179.1° | 180.0° |
| C17 | C16 | C21 | C20 | 2.1° | 0.3° |
| C17 | C16 | C21 | S1 | 175.8° | 180.0° |
| C17 | C16 | S1 | O1 | 55.4° | 156.5° |
| C17 | C16 | S1 | O2 | 174.4° | 23.6° |
| C17 | C16 | S1 | N1 | 61.8° | 90.0° |
| C17 | C16 | C21 | H21 | 177.9° | 179.9° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C16 | 0.9° | 0.3° |
| C19 | C20 | C21 | H21 | 179.1° | 179.9° |
| C20 | C21 | C16 | H21 | 180.0° | 179.6° |
| C20 | C21 | C16 | S1 | 177.9° | 179.7° |
| C21 | C20 | C19 | H19 | 179.1° | 180.0° |
| C21 | C16 | S1 | O1 | 128.9° | 23.5° |
| C21 | C16 | S1 | O2 | 1.4° | 156.4° |
| C21 | C16 | S1 | N1 | 114.0° | 90.0° |
| C21 | C16 | C17 | H17 | 178.5° | 180.0° |
| C16 | C21 | C20 | H20 | 179.1° | 179.7° |
| C16 | S1 | O1 | O2 | 126.9° | 123.0° |
| C16 | S1 | O1 | N1 | 107.4° | 114.1° |
| C16 | S1 | O2 | N1 | 107.0° | 114.1° |
| C16 | S1 | N1 | C4 | 126.6° | 90.0° |
| C16 | S1 | N1 | C1 | 102.4° | 90.3° |
| S1 | C16 | C17 | H17 | 2.4° | 0.1° |
| S1 | C16 | C21 | H21 | 2.1° | 0.1° |
| O1 | S1 | O2 | N1 | 128.3° | 123.0° |
| O1 | S1 | N1 | C4 | 13.7° | 23.5° |
| O1 | S1 | N1 | C1 | 144.8° | 156.2° |
| O2 | S1 | N1 | C4 | 117.3° | 156.4° |
| O2 | S1 | N1 | C1 | 13.7° | 23.2° |
| S1 | N1 | C4 | C1 | 126.9° | 179.7° |
| S1 | N1 | C4 | C3 | 176.3° | 128.8° |
| S1 | N1 | C1 | C2 | 163.0° | 128.8° |
| S1 | N1 | C4 | H41C | 63.7° | 111.5° |
| S1 | N1 | C4 | H42C | 56.3° | 9.1° |
| S1 | N1 | C1 | H11C | 43.1° | 9.1° |
| S1 | N1 | C1 | H12C | 77.0° | 111.5° |
| N1 | C4 | C3 | H41C | 120.0° | 119.7° |
| N1 | C4 | C3 | H42C | 120.0° | 119.7° |
| N1 | C4 | C3 | N2 | 26.9° | 53.9° |
| C4 | N1 | C1 | C2 | 67.6° | 50.9° |
| N1 | C4 | H41C | H42C | 120.0° | 120.4° |
| C4 | N1 | C1 | H11C | 172.5° | 170.6° |
| C4 | N1 | C1 | H12C | 52.4° | 68.8° |
| N1 | C4 | C3 | H31C | 147.8° | 173.8° |
| N1 | C4 | C3 | H32C | 94.0° | 66.2° |
| C1 | N1 | C4 | C3 | 56.8° | 50.9° |
| N1 | C1 | C2 | H11C | 119.9° | 119.7° |
| N1 | C1 | C2 | H12C | 120.0° | 119.7° |
| N1 | C1 | C2 | N2 | 44.1° | 54.0° |
| C1 | N1 | C4 | H41C | 63.2° | 68.8° |
| C1 | N1 | C4 | H42C | 176.8° | 170.6° |
| N1 | C1 | H11C | H12C | 120.2° | 120.5° |
| N1 | C1 | C2 | H21C | 76.0° | 66.1° |
| N1 | C1 | C2 | H22C | 164.2° | 173.8° |
| C4 | C3 | N2 | H31C | 120.9° | 119.9° |
| C4 | C3 | N2 | H32C | 120.9° | 120.0° |
| C4 | C3 | N2 | C2 | 12.9° | 63.4° |
| C4 | C3 | N2 | C5 | 166.2° | 172.7° |
| C3 | C4 | H41C | H42C | 120.0° | 120.5° |
| C4 | C3 | H31C | H32C | 117.2° | 120.0° |
| C3 | N2 | C2 | C1 | 21.5° | 63.4° |
| C3 | N2 | C2 | C5 | 179.2° | 124.0° |
| C3 | N2 | C5 | N3 | 131.8° | 67.9° |
| C3 | N2 | C5 | C8 | 45.1° | 112.2° |
| N2 | C3 | C4 | H41C | 93.1° | 65.8° |
| N2 | C3 | C4 | H42C | 146.9° | 173.5° |
| N2 | C3 | H31C | H32C | 117.2° | 120.1° |
| C3 | N2 | C2 | H21C | 98.5° | 56.7° |
| C3 | N2 | C2 | H22C | 141.6° | 176.7° |
| C1 | C2 | N2 | H21C | 120.1° | 120.1° |
| C1 | C2 | N2 | H22C | 120.1° | 119.9° |
| C1 | C2 | N2 | C5 | 157.6° | 172.6° |
| C2 | C1 | H11C | H12C | 120.2° | 120.5° |
| C1 | C2 | H21C | H22C | 119.8° | 120.1° |
| C2 | N2 | C5 | N3 | 47.4° | 56.1° |
| C2 | N2 | C5 | C8 | 135.7° | 123.8° |
| N2 | C2 | C1 | H11C | 164.0° | 173.7° |
| N2 | C2 | C1 | H12C | 75.9° | 65.8° |
| C2 | N2 | C3 | H31C | 133.8° | 176.7° |
| C2 | N2 | C3 | H32C | 108.0° | 56.6° |
| N2 | C2 | H21C | H22C | 119.8° | 120.0° |
| N2 | C5 | N3 | C8 | 177.0° | 179.8° |
| N2 | C5 | N3 | C6 | 177.7° | 180.0° |
| N2 | C5 | C8 | N4 | 179.2° | 179.7° |
| N2 | C5 | C8 | C9 | 5.1° | 0.1° |
| C5 | N2 | C3 | H31C | 45.3° | 52.8° |
| C5 | N2 | C3 | H32C | 72.9° | 67.3° |
| C5 | N2 | C2 | H21C | 82.3° | 67.3° |
| C5 | N2 | C2 | H22C | 37.6° | 52.8° |
| C5 | N3 | C6 | C7 | 0.3° | 0.0° |
| N3 | C5 | C8 | N4 | 2.3° | 0.4° |
| N3 | C5 | C8 | C9 | 178.0° | 179.8° |
| C5 | N3 | C6 | H6 | 179.7° | 179.9° |
| C8 | C5 | N3 | C6 | 0.7° | 0.2° |
| C5 | C8 | N4 | C7 | 3.6° | 0.5° |
| C5 | C8 | N4 | C9 | 176.0° | 179.8° |
| C5 | C8 | C9 | C10 | 133.2° | 137.4° |
| C5 | C8 | C9 | C14 | 53.3° | 42.8° |
| N3 | C6 | C7 | H6 | 180.0° | 180.0° |
| N3 | C6 | C7 | N4 | 1.5° | 0.0° |
| N3 | C6 | C7 | H7 | 178.5° | 180.0° |
| C6 | C7 | N4 | H7 | 180.0° | 180.0° |
| C6 | C7 | N4 | C8 | 3.2° | 0.3° |
| C7 | N4 | C8 | C9 | 179.6° | 179.7° |
| N4 | C7 | C6 | H6 | 178.5° | 180.0° |
| N4 | C8 | C9 | C10 | 51.1° | 42.4° |
| N4 | C8 | C9 | C14 | 122.4° | 137.4° |
| C8 | N4 | C7 | H7 | 176.8° | 179.7° |
| C8 | C9 | C10 | C14 | 173.6° | 179.7° |
| C8 | C9 | C10 | C11 | 176.4° | 180.0° |
| C8 | C9 | C14 | C13 | 177.5° | 179.7° |
| C8 | C9 | C10 | H10 | 3.6° | 0.1° |
| C8 | C9 | C14 | H14 | 2.5° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 1.1° | 0.1° |
| C10 | C9 | C14 | C13 | 3.9° | 0.6° |
| C10 | C9 | C14 | H14 | 176.1° | 179.7° |
| C9 | C10 | C11 | H11 | 178.9° | 180.0° |
| C14 | C9 | C10 | C11 | 2.8° | 0.2° |
| C9 | C14 | C13 | C12 | 3.2° | 0.6° |
| C9 | C14 | C13 | H14 | 180.0° | 179.7° |
| C14 | C9 | C10 | H10 | 177.1° | 179.7° |
| C9 | C14 | C13 | H13 | 176.8° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | O3 | 179.1° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C11 | C12 | O3 | C13 | 178.9° | 180.0° |
| C11 | C12 | O3 | C15 | 27.9° | 180.0° |
| C11 | C12 | C13 | C14 | 1.3° | 0.3° |
| C12 | C11 | C10 | H10 | 178.9° | 180.0° |
| C11 | C12 | C13 | H13 | 178.7° | 180.0° |
| O3 | C12 | C13 | C14 | 179.8° | 179.7° |
| O3 | C12 | C11 | H11 | 0.9° | 0.0° |
| O3 | C12 | C13 | H13 | 0.2° | 0.0° |
| C12 | O3 | C15 | H151 | 180.0° | 60.0° |
| C12 | O3 | C15 | H152 | 60.0° | 180.0° |
| C12 | O3 | C15 | H153 | 60.0° | 60.0° |
| C13 | C12 | O3 | C15 | 153.2° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.7° |
| C12 | C13 | C14 | H14 | 176.8° | 179.7° |
| C13 | C12 | C11 | H11 | 179.8° | 180.0° |
| O3 | C15 | H151 | H152 | 120.0° | 119.9° |
| O3 | C15 | H151 | H153 | 120.0° | 120.0° |
| O3 | C15 | H152 | H153 | 120.0° | 120.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H26 | C26 | C27 | H27 | 2.0° | 0.0° |
| H24 | C24 | C23 | H23 | 1.8° | 0.0° |
| H19 | C19 | C20 | H20 | 0.9° | 0.1° |
| H20 | C20 | C21 | H21 | 0.9° | 0.1° |
| H41C | C4 | C3 | H31C | 27.8° | 54.1° |
| H41C | C4 | C3 | H32C | 146.0° | 174.1° |
| H42C | C4 | C3 | H31C | 92.2° | 66.5° |
| H42C | C4 | C3 | H32C | 26.0° | 53.5° |
| H11C | C1 | C2 | H21C | 44.0° | 53.6° |
| H11C | C1 | C2 | H22C | 75.9° | 66.5° |
| H12C | C1 | C2 | H21C | 164.1° | 174.2° |
| H12C | C1 | C2 | H22C | 44.2° | 54.0° |
| H6 | C6 | C7 | H7 | 1.5° | 0.0° |
| H10 | C10 | C11 | H11 | 1.1° | 0.0° |
| H14 | C14 | C13 | H13 | 3.2° | 0.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.1° |
