3PZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C1 | sing | 1.40Å | 1.33Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | N1 | sing | 1.45Å | 1.48Å | |
| C7 | N1 | sing | 1.47Å | 1.51Å | |
| N1 | S1 | sing | 1.66Å | 1.69Å | |
| S1 | O1 | doub | 1.42Å | 1.49Å | |
| O2 | S1 | doub | 1.42Å | 1.49Å | |
| S1 | C25 | sing | 1.76Å | 1.74Å | |
| C7 | C2 | sing | 1.50Å | 1.54Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | N2 | sing | 1.46Å | 1.47Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N3 | C13 | doub | 1.31Å | 1.34Å | Aromatic |
| N3 | C12 | sing | 1.34Å | 1.34Å | Aromatic |
| C22 | O3 | sing | 1.36Å | 1.36Å | |
| C28 | O3 | sing | 1.43Å | 1.45Å | |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C29 | sing | 1.43Å | 1.44Å | |
| C13 | N4 | sing | 1.35Å | 1.32Å | Aromatic |
| N4 | C11 | sing | 1.37Å | 1.34Å | Aromatic |
| N4 | C14 | sing | 1.46Å | 1.51Å | |
| C6 | C5 | doub | 1.37Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C29 | N5 | trip | 1.14Å | 1.14Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C15 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | C8 | sing | 1.54Å | 1.54Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C12 | C11 | doub | 1.35Å | 1.34Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C19 | C15 | sing | 1.51Å | 1.54Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C21 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C2 | 122.5° | 126.4° |
| N2 | C1 | C6 | 117.8° | 115.0° |
| C1 | N2 | C9 | 119.7° | 114.9° |
| C1 | N2 | C10 | 123.7° | 111.0° |
| C2 | C1 | C6 | 119.6° | 118.6° |
| C1 | C2 | C7 | 127.4° | 121.1° |
| C1 | C2 | C3 | 120.4° | 120.7° |
| C1 | C6 | C5 | 119.7° | 121.1° |
| C1 | C6 | H6 | 120.1° | 119.4° |
| C8 | N1 | C7 | 116.8° | 117.3° |
| C8 | N1 | S1 | 113.8° | 121.3° |
| N1 | C8 | C15 | 110.4° | 109.8° |
| N1 | C8 | C9 | 113.3° | 107.7° |
| N1 | C8 | H8 | 106.7° | 109.9° |
| C7 | N1 | S1 | 115.4° | 121.4° |
| N1 | C7 | C2 | 117.0° | 109.8° |
| N1 | C7 | H7 | 107.0° | 109.4° |
| N1 | C7 | H7A | 107.0° | 109.5° |
| N1 | S1 | O1 | 105.9° | 106.4° |
| N1 | S1 | O2 | 110.1° | 106.4° |
| N1 | S1 | C25 | 114.0° | 107.2° |
| O1 | S1 | O2 | 110.2° | 123.1° |
| O1 | S1 | C25 | 108.5° | 106.4° |
| O2 | S1 | C25 | 108.2° | 106.4° |
| S1 | C25 | C24 | 118.6° | 119.9° |
| S1 | C25 | C26 | 120.7° | 120.0° |
| C7 | C2 | C3 | 112.2° | 118.1° |
| C2 | C7 | H7 | 107.0° | 109.4° |
| C2 | C7 | H7A | 107.0° | 109.4° |
| C2 | C3 | C4 | 120.6° | 120.4° |
| C2 | C3 | H3 | 119.7° | 119.8° |
| C9 | N2 | C10 | 116.5° | 111.1° |
| N2 | C9 | C8 | 111.4° | 109.2° |
| N2 | C9 | H9 | 108.9° | 109.5° |
| N2 | C9 | H9A | 108.8° | 109.6° |
| N2 | C10 | C11 | 110.2° | 109.4° |
| N2 | C10 | H10 | 109.2° | 109.5° |
| N2 | C10 | H10A | 109.2° | 109.5° |
| C4 | C3 | H3 | 119.7° | 119.8° |
| C3 | C4 | C5 | 119.5° | 119.2° |
| C3 | C4 | C29 | 118.5° | 120.4° |
| C13 | N3 | C12 | 107.5° | 109.3° |
| N3 | C13 | N4 | 107.8° | 108.7° |
| N3 | C13 | H13 | 126.1° | 125.7° |
| N3 | C12 | C11 | 108.8° | 108.0° |
| N3 | C12 | H12 | 125.6° | 126.0° |
| C22 | O3 | C28 | 112.0° | 117.0° |
| O3 | C22 | C27 | 120.3° | 120.1° |
| O3 | C22 | C23 | 119.7° | 120.0° |
| O3 | C28 | H28 | 109.5° | 109.5° |
| O3 | C28 | H28A | 109.5° | 109.5° |
| O3 | C28 | H28B | 109.5° | 109.5° |
| C5 | C4 | C29 | 121.9° | 120.4° |
| C4 | C5 | C6 | 120.1° | 119.9° |
| C4 | C5 | H5 | 119.9° | 120.1° |
| C4 | C29 | N5 | 178.0° | 180.0° |
| C13 | N4 | C11 | 109.6° | 107.2° |
| C13 | N4 | C14 | 124.2° | 126.4° |
| N4 | C13 | H13 | 126.1° | 125.6° |
| C11 | N4 | C14 | 126.2° | 126.4° |
| N4 | C11 | C10 | 126.4° | 126.6° |
| N4 | C11 | C12 | 106.3° | 106.8° |
| N4 | C14 | H14 | 109.5° | 109.4° |
| N4 | C14 | H14A | 109.5° | 109.5° |
| N4 | C14 | H14B | 109.5° | 109.5° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | H6 | 120.2° | 119.5° |
| H7 | C7 | H7A | 111.8° | 109.4° |
| C15 | C8 | C9 | 111.1° | 109.9° |
| C15 | C8 | H8 | 109.1° | 109.8° |
| C8 | C15 | C19 | 113.3° | 109.4° |
| C8 | C15 | H15 | 108.2° | 109.4° |
| C8 | C15 | H15A | 108.2° | 109.4° |
| C9 | C8 | H8 | 106.0° | 109.8° |
| C8 | C9 | H9 | 108.8° | 109.5° |
| C8 | C9 | H9A | 108.9° | 109.5° |
| H9 | C9 | H9A | 110.1° | 109.6° |
| C11 | C10 | H10 | 109.2° | 109.5° |
| C11 | C10 | H10A | 109.3° | 109.5° |
| C10 | C11 | C12 | 127.2° | 126.6° |
| H10 | C10 | H10A | 109.7° | 109.5° |
| C11 | C12 | H12 | 125.6° | 125.9° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| C19 | C15 | H15 | 108.2° | 109.5° |
| C19 | C15 | H15A | 108.2° | 109.5° |
| C15 | C19 | C18 | 120.9° | 120.0° |
| C15 | C19 | C20 | 119.5° | 120.0° |
| H15 | C15 | H15A | 110.7° | 109.4° |
| C21 | C16 | C17 | 119.7° | 120.0° |
| C21 | C16 | H16 | 120.2° | 120.0° |
| C16 | C21 | C20 | 120.1° | 120.0° |
| C16 | C21 | H21 | 119.9° | 120.0° |
| C17 | C16 | H16 | 120.2° | 120.0° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C16 | C17 | H17 | 119.9° | 120.0° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C19 | C18 | H18 | 119.9° | 120.0° |
| C18 | C19 | C20 | 119.7° | 120.0° |
| C19 | C20 | C21 | 120.3° | 120.0° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| C21 | C20 | H20 | 119.9° | 120.0° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| C27 | C22 | C23 | 120.0° | 119.9° |
| C22 | C27 | C26 | 119.9° | 119.9° |
| C22 | C27 | H27 | 120.0° | 120.1° |
| C22 | C23 | C24 | 120.4° | 119.9° |
| C22 | C23 | H23 | 119.8° | 120.0° |
| C24 | C23 | H23 | 119.8° | 120.0° |
| C23 | C24 | C25 | 119.4° | 120.1° |
| C23 | C24 | H24 | 120.3° | 120.0° |
| C25 | C24 | H24 | 120.3° | 119.9° |
| C24 | C25 | C26 | 120.7° | 120.1° |
| C25 | C26 | C27 | 119.5° | 120.1° |
| C25 | C26 | H26 | 120.3° | 120.0° |
| C27 | C26 | H26 | 120.3° | 120.0° |
| C26 | C27 | H27 | 120.1° | 120.0° |
| H28 | C28 | H28A | 109.4° | 109.4° |
| H28 | C28 | H28B | 109.5° | 109.4° |
| H28A | C28 | H28B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C2 | C6 | 177.0° | 177.6° |
| N2 | C1 | C2 | C7 | 2.5° | 6.9° |
| N2 | C1 | C2 | C3 | 177.3° | 175.1° |
| C1 | N2 | C9 | C10 | 176.0° | 127.0° |
| N2 | C1 | C6 | C5 | 177.8° | 176.2° |
| N2 | C1 | C6 | H6 | 2.1° | 3.8° |
| C1 | N2 | C9 | C8 | 87.1° | 88.5° |
| C1 | N2 | C9 | H9 | 152.9° | 151.6° |
| C1 | N2 | C9 | H9A | 33.0° | 31.4° |
| C1 | N2 | C10 | C11 | 92.3° | 177.5° |
| C1 | N2 | C10 | H10 | 147.7° | 57.5° |
| C1 | N2 | C10 | H10A | 27.7° | 62.5° |
| C1 | C2 | C7 | N1 | 35.8° | 48.5° |
| C1 | C2 | C7 | C3 | 179.8° | 178.0° |
| C2 | C1 | N2 | C9 | 27.9° | 32.0° |
| C2 | C1 | N2 | C10 | 156.4° | 159.1° |
| C1 | C2 | C3 | C4 | 0.1° | 1.6° |
| C1 | C2 | C3 | H3 | 179.9° | 178.3° |
| C2 | C1 | C6 | C5 | 0.7° | 1.6° |
| C2 | C1 | C6 | H6 | 179.3° | 178.3° |
| C1 | C2 | C7 | H7 | 155.8° | 168.5° |
| C1 | C2 | C7 | H7A | 84.2° | 71.7° |
| C6 | C1 | C2 | C7 | 179.5° | 175.5° |
| C6 | C1 | C2 | C3 | 0.4° | 2.4° |
| C6 | C1 | N2 | C9 | 149.1° | 150.4° |
| C6 | C1 | N2 | C10 | 26.6° | 23.3° |
| C1 | C6 | C5 | C4 | 0.7° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.3° | 180.0° |
| C8 | N1 | C7 | S1 | 137.7° | 180.0° |
| C8 | N1 | S1 | O1 | 168.2° | 23.5° |
| C8 | N1 | S1 | O2 | 49.0° | 156.4° |
| C8 | N1 | S1 | C25 | 72.7° | 90.0° |
| C8 | N1 | C7 | C2 | 67.1° | 88.9° |
| N1 | C8 | C9 | N2 | 63.5° | 60.5° |
| C8 | N1 | C7 | H7 | 172.9° | 151.1° |
| C8 | N1 | C7 | H7A | 52.9° | 31.2° |
| N1 | C8 | C15 | C9 | 126.5° | 118.3° |
| N1 | C8 | C15 | H8 | 117.0° | 120.9° |
| N1 | C8 | C9 | H8 | 116.7° | 119.6° |
| N1 | C8 | C9 | H9 | 176.4° | 179.6° |
| N1 | C8 | C9 | H9A | 56.5° | 59.5° |
| N1 | C8 | C15 | C19 | 59.8° | 65.0° |
| N1 | C8 | C15 | H15 | 60.2° | 175.0° |
| N1 | C8 | C15 | H15A | 179.8° | 55.0° |
| C7 | N1 | S1 | O1 | 52.9° | 156.4° |
| C7 | N1 | S1 | O2 | 172.0° | 23.5° |
| C7 | N1 | S1 | C25 | 66.2° | 90.0° |
| N1 | C7 | C2 | H7 | 120.0° | 120.0° |
| N1 | C7 | C2 | H7A | 120.0° | 120.2° |
| N1 | C7 | C2 | C3 | 144.4° | 133.5° |
| N1 | C7 | H7 | H7A | 116.9° | 119.9° |
| C7 | N1 | C8 | C15 | 107.6° | 87.9° |
| C7 | N1 | C8 | C9 | 17.7° | 31.7° |
| C7 | N1 | C8 | H8 | 133.9° | 151.3° |
| N1 | S1 | O1 | O2 | 119.0° | 122.9° |
| N1 | S1 | O1 | C25 | 122.7° | 114.1° |
| N1 | S1 | O2 | C25 | 125.1° | 114.1° |
| S1 | N1 | C7 | C2 | 70.6° | 91.1° |
| S1 | N1 | C7 | H7 | 49.4° | 28.9° |
| S1 | N1 | C7 | H7A | 169.4° | 148.8° |
| S1 | N1 | C8 | C15 | 114.1° | 92.1° |
| S1 | N1 | C8 | C9 | 120.7° | 148.3° |
| S1 | N1 | C8 | H8 | 4.4° | 28.8° |
| N1 | S1 | C25 | C24 | 90.0° | 90.0° |
| N1 | S1 | C25 | C26 | 90.6° | 90.0° |
| O1 | S1 | O2 | C25 | 118.4° | 123.0° |
| O1 | S1 | C25 | C24 | 27.7° | 23.6° |
| O1 | S1 | C25 | C26 | 151.7° | 156.4° |
| O2 | S1 | C25 | C24 | 147.3° | 156.5° |
| O2 | S1 | C25 | C26 | 32.2° | 23.5° |
| S1 | C25 | C24 | C23 | 179.7° | 180.0° |
| S1 | C25 | C24 | C26 | 179.5° | 180.0° |
| S1 | C25 | C24 | H24 | 0.3° | 0.0° |
| S1 | C25 | C26 | C27 | 179.7° | 179.7° |
| S1 | C25 | C26 | H26 | 0.3° | 0.0° |
| C7 | C2 | C3 | C4 | 179.9° | 176.4° |
| C7 | C2 | C3 | H3 | 0.0° | 3.6° |
| C2 | C7 | H7 | H7A | 116.9° | 119.8° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | C29 | 179.6° | 179.9° |
| C3 | C2 | C7 | H7 | 24.4° | 13.5° |
| C3 | C2 | C7 | H7A | 95.6° | 106.4° |
| N2 | C9 | C8 | C15 | 171.5° | 179.9° |
| N2 | C9 | C8 | H9 | 120.0° | 119.9° |
| N2 | C9 | C8 | H9A | 120.0° | 120.0° |
| N2 | C9 | C8 | H8 | 53.1° | 59.1° |
| N2 | C9 | H9 | H9A | 119.2° | 120.2° |
| C9 | N2 | C10 | C11 | 83.5° | 53.3° |
| C9 | N2 | C10 | H10 | 36.5° | 173.3° |
| C9 | N2 | C10 | H10A | 156.5° | 66.6° |
| N2 | C10 | C11 | N4 | 174.5° | 87.3° |
| C10 | N2 | C9 | C8 | 97.0° | 144.5° |
| C10 | N2 | C9 | H9 | 23.0° | 24.6° |
| C10 | N2 | C9 | H9A | 143.0° | 95.6° |
| N2 | C10 | C11 | H10 | 120.0° | 120.0° |
| N2 | C10 | C11 | H10A | 120.0° | 120.0° |
| N2 | C10 | H10 | H10A | 119.7° | 120.0° |
| N2 | C10 | C11 | C12 | 5.4° | 92.7° |
| C3 | C4 | C5 | C29 | 179.8° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.8° |
| C3 | C4 | C5 | H5 | 179.8° | 179.2° |
| C3 | C4 | C29 | N5 | 6.2° | 11.4° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| H3 | C3 | C4 | C29 | 0.4° | 0.1° |
| N3 | C13 | N4 | H13 | 180.0° | 179.9° |
| N3 | C13 | N4 | C11 | 0.3° | 0.1° |
| N3 | C13 | N4 | C14 | 180.0° | 180.0° |
| C13 | N3 | C12 | C11 | 0.5° | 0.1° |
| C13 | N3 | C12 | H12 | 179.5° | 180.0° |
| C12 | N3 | C13 | N4 | 0.1° | 0.1° |
| N3 | C12 | C11 | N4 | 0.7° | 0.0° |
| N3 | C12 | C11 | C10 | 179.4° | 180.0° |
| N3 | C12 | C11 | H12 | 180.0° | 179.9° |
| C12 | N3 | C13 | H13 | 179.9° | 180.0° |
| O3 | C22 | C27 | C23 | 179.9° | 179.7° |
| O3 | C22 | C23 | C24 | 179.8° | 180.0° |
| O3 | C22 | C23 | H23 | 0.2° | 0.1° |
| O3 | C22 | C27 | C26 | 179.9° | 179.7° |
| O3 | C22 | C27 | H27 | 0.1° | 0.2° |
| C22 | O3 | C28 | H28 | 180.0° | 60.0° |
| C22 | O3 | C28 | H28A | 60.0° | 180.0° |
| C22 | O3 | C28 | H28B | 60.0° | 60.0° |
| C28 | O3 | C22 | C27 | 122.8° | 0.3° |
| C28 | O3 | C22 | C23 | 57.3° | 180.0° |
| O3 | C28 | H28 | H28A | 120.0° | 120.0° |
| O3 | C28 | H28 | H28B | 120.0° | 120.0° |
| O3 | C28 | H28A | H28B | 120.0° | 120.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C29 | N5 | 173.6° | 168.7° |
| C4 | C5 | C6 | H6 | 179.3° | 179.9° |
| C29 | C4 | C5 | C6 | 180.0° | 179.1° |
| C29 | C4 | C5 | H5 | 0.0° | 0.9° |
| C13 | N4 | C11 | C14 | 179.7° | 179.9° |
| C13 | N4 | C11 | C10 | 179.5° | 180.0° |
| C13 | N4 | C11 | C12 | 0.6° | 0.0° |
| C13 | N4 | C14 | H14 | 180.0° | 84.3° |
| C13 | N4 | C14 | H14A | 60.0° | 35.6° |
| C13 | N4 | C14 | H14B | 60.0° | 155.6° |
| N4 | C11 | C10 | C12 | 179.9° | 180.0° |
| N4 | C11 | C10 | H10 | 54.5° | 152.7° |
| N4 | C11 | C10 | H10A | 65.5° | 32.7° |
| N4 | C11 | C12 | H12 | 179.3° | 180.0° |
| C11 | N4 | C13 | H13 | 179.7° | 180.0° |
| C11 | N4 | C14 | H14 | 0.4° | 95.8° |
| C11 | N4 | C14 | H14A | 119.6° | 144.3° |
| C11 | N4 | C14 | H14B | 120.4° | 24.2° |
| C14 | N4 | C11 | C10 | 0.2° | 0.1° |
| C14 | N4 | C11 | C12 | 179.7° | 179.9° |
| C14 | N4 | C13 | H13 | 0.0° | 0.1° |
| N4 | C14 | H14 | H14A | 120.0° | 120.0° |
| N4 | C14 | H14 | H14B | 120.0° | 120.0° |
| N4 | C14 | H14A | H14B | 120.0° | 120.0° |
| H5 | C5 | C6 | H6 | 0.7° | 0.1° |
| C15 | C8 | C9 | H8 | 118.4° | 120.8° |
| C15 | C8 | C9 | H9 | 51.5° | 60.0° |
| C15 | C8 | C9 | H9A | 68.5° | 60.1° |
| C8 | C15 | C19 | H15 | 120.0° | 120.0° |
| C8 | C15 | C19 | H15A | 120.0° | 120.0° |
| C8 | C15 | H15 | H15A | 118.4° | 119.9° |
| C8 | C15 | C19 | C18 | 75.1° | 90.0° |
| C8 | C15 | C19 | C20 | 105.2° | 90.0° |
| C8 | C9 | H9 | H9A | 119.2° | 120.1° |
| C9 | C8 | C15 | C19 | 66.7° | 176.7° |
| C9 | C8 | C15 | H15 | 173.3° | 56.7° |
| C9 | C8 | C15 | H15A | 53.3° | 63.2° |
| H8 | C8 | C9 | H9 | 66.9° | 60.8° |
| H8 | C8 | C9 | H9A | 173.1° | 179.0° |
| H8 | C8 | C15 | C19 | 176.8° | 55.9° |
| H8 | C8 | C15 | H15 | 56.8° | 64.1° |
| H8 | C8 | C15 | H15A | 63.2° | 175.9° |
| C11 | C10 | H10 | H10A | 119.7° | 120.0° |
| C10 | C11 | C12 | H12 | 0.6° | 0.1° |
| H10 | C10 | C11 | C12 | 125.4° | 27.2° |
| H10A | C10 | C11 | C12 | 114.6° | 147.3° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| C19 | C15 | H15 | H15A | 118.4° | 120.1° |
| C15 | C19 | C18 | C17 | 179.9° | 180.0° |
| C15 | C19 | C18 | C20 | 179.7° | 179.9° |
| C15 | C19 | C18 | H18 | 0.1° | 0.0° |
| C15 | C19 | C20 | C21 | 180.0° | 179.8° |
| C15 | C19 | C20 | H20 | 0.0° | 0.1° |
| H15 | C15 | C19 | C18 | 45.0° | 29.9° |
| H15 | C15 | C19 | C20 | 134.7° | 150.0° |
| H15A | C15 | C19 | C18 | 164.9° | 150.0° |
| H15A | C15 | C19 | C20 | 14.8° | 29.9° |
| C21 | C16 | C17 | H16 | 180.0° | 179.7° |
| C21 | C16 | C17 | C18 | 0.3° | 0.3° |
| C21 | C16 | C17 | H17 | 179.7° | 179.7° |
| C16 | C21 | C20 | C19 | 0.1° | 0.6° |
| C16 | C21 | C20 | H21 | 180.0° | 179.5° |
| C16 | C21 | C20 | H20 | 179.9° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C16 | C17 | C18 | H18 | 179.9° | 179.9° |
| C17 | C16 | C21 | C20 | 0.4° | 0.6° |
| C17 | C16 | C21 | H21 | 179.6° | 180.0° |
| H16 | C16 | C17 | C18 | 179.7° | 180.0° |
| H16 | C16 | C17 | H17 | 0.2° | 0.1° |
| H16 | C16 | C21 | C20 | 179.7° | 179.8° |
| H16 | C16 | C21 | H21 | 0.3° | 0.3° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.1° |
| H17 | C17 | C18 | C19 | 179.9° | 180.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.3° |
| C18 | C19 | C20 | H20 | 179.7° | 180.0° |
| H18 | C18 | C19 | C20 | 179.6° | 179.9° |
| C19 | C20 | C21 | H20 | 180.0° | 179.7° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.3° |
| C27 | C22 | C23 | C24 | 0.1° | 0.3° |
| C27 | C22 | C23 | H23 | 179.9° | 179.8° |
| C22 | C27 | C26 | C25 | 0.4° | 0.5° |
| C22 | C27 | C26 | H27 | 180.0° | 179.5° |
| C22 | C27 | C26 | H26 | 179.6° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.5° | 0.1° |
| C22 | C23 | C24 | H24 | 179.5° | 179.9° |
| C23 | C22 | C27 | C26 | 0.0° | 0.6° |
| C23 | C22 | C27 | H27 | 180.0° | 179.9° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.9° | 0.0° |
| H23 | C23 | C24 | C25 | 179.5° | 180.0° |
| H23 | C23 | C24 | H24 | 0.5° | 0.0° |
| C24 | C25 | C26 | C27 | 0.8° | 0.3° |
| C24 | C25 | C26 | H26 | 179.2° | 180.0° |
| H24 | C24 | C25 | C26 | 179.1° | 180.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.8° |
| C25 | C26 | C27 | H27 | 179.6° | 180.0° |
| H26 | C26 | C27 | H27 | 0.4° | 0.2° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
