D62
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | N3 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| N3 | C16 | sing | 1.47Å | 1.47Å | |
| N3 | C10 | sing | 1.38Å | 1.39Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| N4 | C10 | doub | 1.32Å | 1.36Å | Aromatic |
| N4 | C11 | sing | 1.33Å | 1.36Å | Aromatic |
| O2 | C18 | doub | 1.21Å | 1.22Å | |
| N5 | C11 | sing | 1.39Å | 1.36Å | |
| C16 | C17 | sing | 1.53Å | 1.49Å | |
| C7 | C17 | sing | 1.53Å | 1.51Å | |
| C7 | N2 | sing | 1.46Å | 1.49Å | |
| C10 | C15 | sing | 1.42Å | 1.40Å | Aromatic |
| C11 | N6 | doub | 1.32Å | 1.35Å | Aromatic |
| C18 | N2 | sing | 1.35Å | 1.36Å | |
| C18 | C19 | sing | 1.50Å | 1.52Å | |
| C15 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.45Å | 1.44Å | Aromatic |
| N6 | C12 | sing | 1.34Å | 1.34Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.34Å | |
| C12 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C14 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| C20 | C19 | sing | 1.52Å | 1.53Å | |
| C20 | C21 | sing | 1.50Å | 1.50Å | |
| C19 | C24 | sing | 1.53Å | 1.55Å | |
| C13 | S1 | sing | 1.75Å | 1.73Å | Aromatic |
| N1 | C6 | doub | 1.30Å | 1.29Å | |
| C21 | C22 | doub | 1.29Å | 1.32Å | |
| C6 | C24 | sing | 1.52Å | 1.53Å | |
| C6 | C5 | sing | 1.47Å | 1.49Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.50Å | 1.49Å | |
| C27 | O3 | sing | 1.43Å | 1.43Å | |
| C25 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C26 | O3 | sing | 1.36Å | 1.37Å | |
| C26 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| N5 | H23 | sing | 0.97Å | 1.00Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C9 | C8 | 111.8° | 109.5° |
| C9 | N3 | C16 | 113.8° | 111.1° |
| C9 | N3 | C10 | 125.3° | 111.0° |
| N3 | C9 | H21 | 108.9° | 109.4° |
| N3 | C9 | H22 | 108.9° | 109.5° |
| C9 | C8 | C7 | 112.8° | 109.3° |
| C9 | C8 | H19 | 108.6° | 109.5° |
| C9 | C8 | H20 | 108.6° | 109.5° |
| C8 | C9 | H21 | 108.9° | 109.5° |
| C8 | C9 | H22 | 108.9° | 109.5° |
| C16 | N3 | C10 | 120.6° | 111.0° |
| N3 | C16 | C17 | 111.2° | 109.5° |
| N3 | C16 | H8 | 109.0° | 109.4° |
| N3 | C16 | H9 | 109.0° | 109.4° |
| N3 | C10 | N4 | 119.1° | 120.5° |
| N3 | C10 | C15 | 123.0° | 120.5° |
| C8 | C7 | C17 | 110.8° | 109.2° |
| C8 | C7 | N2 | 113.6° | 109.5° |
| C8 | C7 | H18 | 107.9° | 109.5° |
| C7 | C8 | H19 | 108.6° | 109.5° |
| C7 | C8 | H20 | 108.6° | 109.5° |
| C10 | N4 | C11 | 120.4° | 121.1° |
| N4 | C10 | C15 | 117.9° | 119.1° |
| N4 | C11 | N5 | 118.7° | 119.0° |
| N4 | C11 | N6 | 123.8° | 122.0° |
| O2 | C18 | N2 | 119.6° | 120.9° |
| O2 | C18 | C19 | 124.1° | 121.0° |
| N5 | C11 | N6 | 117.5° | 119.0° |
| C11 | N5 | H23 | 109.5° | 120.0° |
| C11 | N5 | H24 | 109.5° | 120.0° |
| C16 | C17 | C7 | 110.4° | 109.3° |
| C17 | C16 | H8 | 109.1° | 109.4° |
| C17 | C16 | H9 | 109.1° | 109.5° |
| C16 | C17 | H10 | 109.2° | 109.5° |
| C16 | C17 | H11 | 109.2° | 109.5° |
| C17 | C7 | N2 | 107.9° | 109.6° |
| C7 | C17 | H10 | 109.2° | 109.4° |
| C7 | C17 | H11 | 109.2° | 109.5° |
| C17 | C7 | H18 | 108.1° | 109.5° |
| C7 | N2 | C18 | 123.5° | 120.2° |
| C7 | N2 | N1 | 112.8° | 120.1° |
| N2 | C7 | H18 | 108.4° | 109.5° |
| C10 | C15 | C12 | 117.8° | 117.6° |
| C10 | C15 | C14 | 130.7° | 130.3° |
| C11 | N6 | C12 | 115.4° | 121.0° |
| N2 | C18 | C19 | 116.3° | 118.1° |
| C18 | N2 | N1 | 123.6° | 119.7° |
| C18 | C19 | C20 | 115.5° | 112.0° |
| C18 | C19 | C24 | 108.7° | 108.6° |
| C18 | C19 | H25 | 107.4° | 108.6° |
| C12 | C15 | C14 | 111.4° | 112.0° |
| C15 | C12 | N6 | 124.6° | 119.2° |
| C15 | C12 | S1 | 112.4° | 109.6° |
| C15 | C14 | C13 | 111.7° | 114.8° |
| C15 | C14 | H7 | 124.1° | 122.6° |
| N6 | C12 | S1 | 122.9° | 131.2° |
| N2 | N1 | C6 | 120.3° | 121.3° |
| C12 | S1 | C13 | 90.8° | 92.2° |
| C14 | C13 | S1 | 113.2° | 111.4° |
| C14 | C13 | H6 | 123.4° | 124.2° |
| C13 | C14 | H7 | 124.2° | 122.6° |
| C19 | C20 | C21 | 113.4° | 111.3° |
| C20 | C19 | C24 | 110.8° | 110.8° |
| C19 | C20 | H12 | 108.5° | 109.1° |
| C19 | C20 | H13 | 108.5° | 109.2° |
| C20 | C19 | H25 | 107.2° | 108.7° |
| C20 | C21 | C22 | 124.3° | 123.6° |
| C21 | C20 | H12 | 108.5° | 109.1° |
| C21 | C20 | H13 | 108.5° | 109.0° |
| C20 | C21 | H14 | 117.8° | 118.2° |
| C19 | C24 | C6 | 107.1° | 107.0° |
| C19 | C24 | C23 | 113.1° | 108.6° |
| C24 | C19 | H25 | 106.9° | 108.0° |
| C19 | C24 | H26 | 108.2° | 111.1° |
| S1 | C13 | H6 | 123.4° | 124.4° |
| N1 | C6 | C24 | 123.4° | 119.1° |
| N1 | C6 | C5 | 115.3° | 120.5° |
| C21 | C22 | C23 | 123.5° | 124.4° |
| C22 | C21 | H14 | 117.9° | 118.3° |
| C21 | C22 | H15 | 118.3° | 117.8° |
| C24 | C6 | C5 | 121.2° | 120.4° |
| C6 | C24 | C23 | 111.7° | 107.1° |
| C6 | C24 | H26 | 108.4° | 111.1° |
| C6 | C5 | C25 | 118.8° | 120.1° |
| C6 | C5 | C4 | 122.0° | 120.1° |
| C24 | C23 | C22 | 113.9° | 111.2° |
| C24 | C23 | H16 | 108.4° | 109.1° |
| C24 | C23 | H17 | 108.4° | 109.1° |
| C23 | C24 | H26 | 108.2° | 111.7° |
| C23 | C22 | H15 | 118.2° | 117.8° |
| C22 | C23 | H16 | 108.4° | 109.1° |
| C22 | C23 | H17 | 108.3° | 109.1° |
| C27 | O3 | C26 | 119.5° | 117.0° |
| O3 | C27 | H28 | 109.5° | 109.4° |
| O3 | C27 | H29 | 109.5° | 109.4° |
| O3 | C27 | H30 | 109.5° | 109.5° |
| C5 | C25 | C26 | 121.1° | 119.8° |
| C25 | C5 | C4 | 119.2° | 119.8° |
| C5 | C25 | H27 | 119.5° | 120.1° |
| C25 | C26 | O3 | 125.9° | 120.0° |
| C25 | C26 | C2 | 119.0° | 120.0° |
| C26 | C25 | H27 | 119.4° | 120.1° |
| C5 | C4 | C3 | 120.5° | 120.0° |
| C5 | C4 | H5 | 119.8° | 120.0° |
| O3 | C26 | C2 | 115.1° | 120.0° |
| C26 | C2 | C3 | 119.1° | 120.1° |
| C26 | C2 | O1 | 115.7° | 119.9° |
| C4 | C3 | C2 | 121.1° | 120.2° |
| C4 | C3 | H4 | 119.5° | 119.9° |
| C3 | C4 | H5 | 119.8° | 120.0° |
| C3 | C2 | O1 | 125.1° | 120.0° |
| C2 | C3 | H4 | 119.5° | 119.9° |
| C2 | O1 | C1 | 116.0° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.4° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H12 | C20 | H13 | 109.5° | 109.0° |
| H16 | C23 | H17 | 109.4° | 109.1° |
| H19 | C8 | H20 | 109.5° | 109.5° |
| H21 | C9 | H22 | 109.5° | 109.4° |
| H23 | N5 | H24 | 109.4° | 120.1° |
| H28 | C27 | H29 | 109.5° | 109.4° |
| H28 | C27 | H30 | 109.5° | 109.5° |
| H29 | C27 | H30 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C9 | C8 | H21 | 120.4° | 120.0° |
| N3 | C9 | C8 | H22 | 120.3° | 120.0° |
| C9 | N3 | C16 | C10 | 174.1° | 124.1° |
| N3 | C9 | C8 | C7 | 48.2° | 59.2° |
| C9 | N3 | C10 | N4 | 137.1° | 0.0° |
| C9 | N3 | C16 | C17 | 57.3° | 61.7° |
| C9 | N3 | C10 | C15 | 44.1° | 180.0° |
| C9 | N3 | C16 | H8 | 177.5° | 58.3° |
| C9 | N3 | C16 | H9 | 63.0° | 178.3° |
| N3 | C9 | C8 | H19 | 168.6° | 60.7° |
| N3 | C9 | C8 | H20 | 72.3° | 179.2° |
| N3 | C9 | H21 | H22 | 118.9° | 119.9° |
| C8 | C9 | N3 | C16 | 51.4° | 61.7° |
| C8 | C9 | N3 | C10 | 134.8° | 174.2° |
| C9 | C8 | C7 | H19 | 120.5° | 119.9° |
| C9 | C8 | C7 | H20 | 120.5° | 120.0° |
| C9 | C8 | C7 | C17 | 50.7° | 57.6° |
| C9 | C8 | C7 | N2 | 172.4° | 177.6° |
| C9 | C8 | C7 | H18 | 67.3° | 62.3° |
| C9 | C8 | H19 | H20 | 118.5° | 120.1° |
| C8 | C9 | H21 | H22 | 118.9° | 120.0° |
| C16 | N3 | C10 | N4 | 36.3° | 124.2° |
| N3 | C16 | C17 | H8 | 120.2° | 120.0° |
| N3 | C16 | C17 | H9 | 120.3° | 120.0° |
| N3 | C16 | C17 | C7 | 58.6° | 59.2° |
| C16 | N3 | C10 | C15 | 142.5° | 55.8° |
| N3 | C16 | H8 | H9 | 119.2° | 120.0° |
| N3 | C16 | C17 | H10 | 61.5° | 60.7° |
| N3 | C16 | C17 | H11 | 178.7° | 179.2° |
| C16 | N3 | C9 | H21 | 68.9° | 178.2° |
| C16 | N3 | C9 | H22 | 171.7° | 58.3° |
| N3 | C10 | N4 | C15 | 178.9° | 180.0° |
| N3 | C10 | N4 | C11 | 178.3° | 180.0° |
| C10 | N3 | C16 | C17 | 128.6° | 174.2° |
| N3 | C10 | C15 | C12 | 177.4° | 180.0° |
| N3 | C10 | C15 | C14 | 0.9° | 0.0° |
| C10 | N3 | C16 | H8 | 8.4° | 65.8° |
| C10 | N3 | C16 | H9 | 111.1° | 54.2° |
| C10 | N3 | C9 | H21 | 104.8° | 54.1° |
| C10 | N3 | C9 | H22 | 14.5° | 65.8° |
| C8 | C7 | C17 | C16 | 55.6° | 57.6° |
| C8 | C7 | C17 | N2 | 125.0° | 119.9° |
| C8 | C7 | C17 | H18 | 118.0° | 119.9° |
| C8 | C7 | N2 | H18 | 119.9° | 120.1° |
| C8 | C7 | N2 | C18 | 142.5° | 120.0° |
| C8 | C7 | N2 | N1 | 40.8° | 59.7° |
| C8 | C7 | C17 | H10 | 64.6° | 62.3° |
| C8 | C7 | C17 | H11 | 175.7° | 177.6° |
| C7 | C8 | H19 | H20 | 118.5° | 120.1° |
| C7 | C8 | C9 | H21 | 72.2° | 179.2° |
| C7 | C8 | C9 | H22 | 168.5° | 60.8° |
| C10 | N4 | C11 | N5 | 179.9° | 180.0° |
| C10 | N4 | C11 | N6 | 0.4° | 0.2° |
| N4 | C10 | C15 | C12 | 1.4° | 0.0° |
| N4 | C10 | C15 | C14 | 178.0° | 180.0° |
| N4 | C11 | N5 | N6 | 179.8° | 179.8° |
| C11 | N4 | C10 | C15 | 0.6° | 0.0° |
| N4 | C11 | N6 | C12 | 0.4° | 0.5° |
| N4 | C11 | N5 | H23 | 0.0° | 0.1° |
| N4 | C11 | N5 | H24 | 120.0° | 180.0° |
| O2 | C18 | N2 | C7 | 10.7° | 3.6° |
| O2 | C18 | N2 | C19 | 177.5° | 179.9° |
| O2 | C18 | N2 | N1 | 165.6° | 176.1° |
| O2 | C18 | C19 | C20 | 8.8° | 21.0° |
| O2 | C18 | C19 | C24 | 134.1° | 143.7° |
| O2 | C18 | C19 | H25 | 110.6° | 99.1° |
| N5 | C11 | N6 | C12 | 179.9° | 179.7° |
| C11 | N5 | H23 | H24 | 120.0° | 179.9° |
| C16 | C17 | C7 | H10 | 120.1° | 119.9° |
| C16 | C17 | C7 | H11 | 120.1° | 120.0° |
| C16 | C17 | C7 | N2 | 179.5° | 177.6° |
| C17 | C16 | H8 | H9 | 119.2° | 120.0° |
| C16 | C17 | H10 | H11 | 119.6° | 120.1° |
| C16 | C17 | C7 | H18 | 62.4° | 62.3° |
| C17 | C7 | N2 | H18 | 116.8° | 120.1° |
| C17 | C7 | N2 | C18 | 94.2° | 120.3° |
| C17 | C7 | N2 | N1 | 82.4° | 60.0° |
| C7 | C17 | C16 | H8 | 178.8° | 60.8° |
| C7 | C17 | C16 | H9 | 61.7° | 179.2° |
| C7 | C17 | H10 | H11 | 119.6° | 120.1° |
| C17 | C7 | C8 | H19 | 171.2° | 62.3° |
| C17 | C7 | C8 | H20 | 69.7° | 177.6° |
| C7 | N2 | C18 | N1 | 176.3° | 179.7° |
| C7 | N2 | C18 | C19 | 171.8° | 176.3° |
| C7 | N2 | N1 | C6 | 163.2° | 155.2° |
| N2 | C7 | C17 | H10 | 60.4° | 57.6° |
| N2 | C7 | C17 | H11 | 59.4° | 62.4° |
| N2 | C7 | C8 | H19 | 67.1° | 57.7° |
| N2 | C7 | C8 | H20 | 51.9° | 62.4° |
| C10 | C15 | C12 | C14 | 177.2° | 180.0° |
| C10 | C15 | C12 | N6 | 1.5° | 0.3° |
| C10 | C15 | C12 | S1 | 179.8° | 180.0° |
| C10 | C15 | C14 | C13 | 176.7° | 180.0° |
| C10 | C15 | C14 | H7 | 3.3° | 0.0° |
| C11 | N6 | C12 | C15 | 0.6° | 0.5° |
| C11 | N6 | C12 | S1 | 178.8° | 179.8° |
| N6 | C11 | N5 | H23 | 179.8° | 179.7° |
| N6 | C11 | N5 | H24 | 59.8° | 0.2° |
| N2 | C18 | C19 | C20 | 168.5° | 158.9° |
| N2 | C18 | C19 | C24 | 43.3° | 36.3° |
| C18 | N2 | N1 | C6 | 13.4° | 25.1° |
| C18 | N2 | C7 | H18 | 22.6° | 0.1° |
| N2 | C18 | C19 | H25 | 72.1° | 80.9° |
| C19 | C18 | N2 | N1 | 11.9° | 4.0° |
| C18 | C19 | C20 | C24 | 124.1° | 121.4° |
| C18 | C19 | C20 | H25 | 119.5° | 120.1° |
| C18 | C19 | C20 | C21 | 81.2° | 75.4° |
| C18 | C19 | C24 | H25 | 115.6° | 117.6° |
| C18 | C19 | C24 | C6 | 48.4° | 54.9° |
| C18 | C19 | C24 | C23 | 75.1° | 60.5° |
| C18 | C19 | C20 | H12 | 39.4° | 164.1° |
| C18 | C19 | C20 | H13 | 158.2° | 45.0° |
| C18 | C19 | C24 | H26 | 165.1° | 176.3° |
| C15 | C12 | N6 | S1 | 178.2° | 179.7° |
| C12 | C15 | C14 | C13 | 6.5° | 0.0° |
| C15 | C12 | S1 | C13 | 0.8° | 0.0° |
| C12 | C15 | C14 | H7 | 173.5° | 180.0° |
| C14 | C15 | C12 | N6 | 178.7° | 179.8° |
| C14 | C15 | C12 | S1 | 3.0° | 0.0° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C15 | C14 | C13 | S1 | 7.2° | 0.0° |
| C15 | C14 | C13 | H6 | 172.8° | 180.0° |
| N6 | C12 | S1 | C13 | 177.6° | 179.7° |
| N2 | N1 | C6 | C24 | 2.8° | 0.6° |
| N2 | N1 | C6 | C5 | 175.5° | 179.5° |
| N1 | N2 | C7 | H18 | 160.8° | 179.9° |
| C12 | S1 | C13 | C14 | 4.8° | 0.0° |
| C12 | S1 | C13 | H6 | 175.2° | 180.0° |
| C14 | C13 | S1 | H6 | 180.0° | 180.0° |
| C19 | C20 | C21 | H12 | 120.6° | 120.5° |
| C19 | C20 | C21 | H13 | 120.6° | 120.5° |
| C20 | C19 | C24 | H25 | 116.5° | 118.9° |
| C19 | C20 | C21 | C22 | 17.9° | 15.4° |
| C20 | C19 | C24 | C6 | 176.4° | 178.3° |
| C20 | C19 | C24 | C23 | 52.9° | 62.9° |
| C19 | C20 | H12 | H13 | 118.2° | 119.2° |
| C19 | C20 | C21 | H14 | 162.2° | 164.7° |
| C20 | C19 | C24 | H26 | 66.9° | 60.3° |
| C21 | C20 | C19 | C24 | 43.0° | 46.0° |
| C20 | C21 | C22 | H14 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.2° | 1.0° |
| C21 | C20 | H12 | H13 | 118.2° | 119.0° |
| C20 | C21 | C22 | H15 | 179.7° | 179.0° |
| C21 | C20 | C19 | H25 | 159.3° | 164.5° |
| C19 | C24 | C6 | N1 | 29.2° | 39.4° |
| C19 | C24 | C6 | C23 | 124.3° | 116.3° |
| C19 | C24 | C6 | H26 | 116.5° | 121.4° |
| C19 | C24 | C6 | C5 | 152.7° | 140.5° |
| C19 | C24 | C23 | H26 | 119.8° | 122.8° |
| C19 | C24 | C23 | C22 | 36.0° | 47.0° |
| C24 | C19 | C20 | H12 | 163.5° | 74.5° |
| C24 | C19 | C20 | H13 | 77.6° | 166.4° |
| C19 | C24 | C23 | H16 | 156.7° | 73.4° |
| C19 | C24 | C23 | H17 | 84.6° | 167.5° |
| S1 | C13 | C14 | H7 | 172.8° | 180.0° |
| N1 | C6 | C24 | C5 | 178.1° | 179.9° |
| N1 | C6 | C24 | C23 | 95.1° | 76.9° |
| N1 | C6 | C5 | C25 | 0.8° | 0.1° |
| N1 | C6 | C5 | C4 | 178.4° | 179.9° |
| N1 | C6 | C24 | H26 | 145.7° | 160.8° |
| C21 | C22 | C23 | C24 | 9.6° | 17.7° |
| C21 | C22 | C23 | H15 | 180.0° | 180.0° |
| C22 | C21 | C20 | H12 | 138.4° | 105.2° |
| C22 | C21 | C20 | H13 | 102.7° | 135.9° |
| C21 | C22 | C23 | H16 | 130.3° | 102.7° |
| C21 | C22 | C23 | H17 | 111.1° | 138.1° |
| C6 | C24 | C23 | H26 | 119.3° | 121.9° |
| C6 | C24 | C23 | C22 | 157.0° | 162.3° |
| C24 | C6 | C5 | C25 | 179.0° | 180.0° |
| C24 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | C24 | C23 | H16 | 82.4° | 41.8° |
| C6 | C24 | C23 | H17 | 36.3° | 77.3° |
| C6 | C24 | C19 | H25 | 67.2° | 62.8° |
| C5 | C6 | C24 | C23 | 83.0° | 103.2° |
| C6 | C5 | C25 | C4 | 179.2° | 180.0° |
| C6 | C5 | C25 | C26 | 179.9° | 179.7° |
| C6 | C5 | C4 | C3 | 179.6° | 179.9° |
| C6 | C5 | C4 | H5 | 0.3° | 0.0° |
| C5 | C6 | C24 | H26 | 36.2° | 19.1° |
| C6 | C5 | C25 | H27 | 0.1° | 0.1° |
| C24 | C23 | C22 | H16 | 120.7° | 120.4° |
| C24 | C23 | C22 | H17 | 120.7° | 120.4° |
| C24 | C23 | C22 | H15 | 170.4° | 162.3° |
| C24 | C23 | H16 | H17 | 118.0° | 119.1° |
| C23 | C24 | C19 | H25 | 169.3° | 178.1° |
| C23 | C22 | C21 | H14 | 179.8° | 179.0° |
| C22 | C23 | H16 | H17 | 118.0° | 119.2° |
| C22 | C23 | C24 | H26 | 83.7° | 75.8° |
| C27 | O3 | C26 | C25 | 10.9° | 0.0° |
| C27 | O3 | C26 | C2 | 169.6° | 180.0° |
| O3 | C27 | H28 | H29 | 120.0° | 119.9° |
| O3 | C27 | H28 | H30 | 120.0° | 120.0° |
| O3 | C27 | H29 | H30 | 120.0° | 120.0° |
| C5 | C25 | C26 | H27 | 180.0° | 179.8° |
| C5 | C25 | C26 | O3 | 179.1° | 179.8° |
| C5 | C25 | C26 | C2 | 1.4° | 0.3° |
| C25 | C5 | C4 | C3 | 0.5° | 0.0° |
| C25 | C5 | C4 | H5 | 179.5° | 180.0° |
| C26 | C25 | C5 | C4 | 0.7° | 0.3° |
| C25 | C26 | O3 | C2 | 179.5° | 180.0° |
| C25 | C26 | C2 | C3 | 1.9° | 0.1° |
| C25 | C26 | C2 | O1 | 179.6° | 180.0° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.0° | 0.2° |
| C5 | C4 | C3 | H4 | 178.9° | 180.0° |
| C4 | C5 | C25 | H27 | 179.3° | 179.9° |
| O3 | C26 | C2 | C3 | 178.6° | 180.0° |
| O3 | C26 | C2 | O1 | 0.1° | 0.1° |
| O3 | C26 | C25 | H27 | 0.9° | 0.0° |
| C26 | O3 | C27 | H28 | 180.0° | 60.0° |
| C26 | O3 | C27 | H29 | 60.0° | 59.9° |
| C26 | O3 | C27 | H30 | 60.0° | 180.0° |
| C26 | C2 | C3 | C4 | 1.7° | 0.2° |
| C26 | C2 | C3 | O1 | 178.3° | 179.9° |
| C26 | C2 | O1 | C1 | 164.0° | 180.0° |
| C26 | C2 | C3 | H4 | 178.2° | 180.0° |
| C2 | C26 | C25 | H27 | 178.6° | 179.9° |
| C4 | C3 | C2 | H4 | 180.0° | 179.8° |
| C4 | C3 | C2 | O1 | 180.0° | 179.7° |
| C3 | C2 | O1 | C1 | 14.3° | 0.1° |
| C2 | C3 | C4 | H5 | 178.9° | 179.8° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | C3 | H4 | 0.1° | 0.1° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 1.1° | 0.1° |
| H6 | C13 | C14 | H7 | 7.3° | 0.0° |
| H8 | C16 | C17 | H10 | 58.7° | 179.3° |
| H8 | C16 | C17 | H11 | 61.1° | 59.2° |
| H9 | C16 | C17 | H10 | 178.2° | 59.3° |
| H9 | C16 | C17 | H11 | 58.4° | 60.8° |
| H10 | C17 | C7 | H18 | 177.5° | 177.8° |
| H11 | C17 | C7 | H18 | 57.7° | 57.7° |
| H12 | C20 | C21 | H14 | 41.6° | 74.8° |
| H12 | C20 | C19 | H25 | 80.2° | 44.0° |
| H13 | C20 | C21 | H14 | 77.3° | 44.2° |
| H13 | C20 | C19 | H25 | 38.7° | 75.1° |
| H14 | C21 | C22 | H15 | 0.2° | 0.9° |
| H15 | C22 | C23 | H16 | 49.7° | 77.3° |
| H15 | C22 | C23 | H17 | 68.9° | 41.9° |
| H16 | C23 | C24 | H26 | 36.9° | 163.8° |
| H17 | C23 | C24 | H26 | 155.6° | 44.6° |
| H18 | C7 | C8 | H19 | 53.1° | 177.8° |
| H18 | C7 | C8 | H20 | 172.2° | 57.8° |
| H19 | C8 | C9 | H21 | 48.3° | 59.2° |
| H19 | C8 | C9 | H22 | 71.0° | 179.2° |
| H20 | C8 | C9 | H21 | 167.3° | 60.8° |
| H20 | C8 | C9 | H22 | 48.0° | 59.2° |
| H25 | C19 | C24 | H26 | 49.5° | 58.6° |
| H28 | C27 | H29 | H30 | 120.0° | 120.1° |
