PRD_000708
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.33Å | |
| C1 | C2 | sing | 1.51Å | 1.41Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.45Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C7 | sing | 1.53Å | 1.54Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | C8 | sing | 1.53Å | 1.51Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | C9 | sing | 1.46Å | 1.46Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.24Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | C12 | sing | 1.46Å | 1.45Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.53Å | 1.47Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | sing | 1.43Å | 1.39Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| O4 | H24 | sing | 0.97Å | 0.95Å | |
| C14 | C15 | sing | 1.51Å | 1.48Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C17 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | H28 | sing | 1.08Å | 1.08Å | |
| C18 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | H29 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C10 | N3 | sing | 1.35Å | 1.32Å | |
| C4 | N2 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.6° | 120.0° |
| O1 | C1 | N1 | 128.7° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 111.7° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 115.4° | 120.0° |
| N1 | C3 | C4 | 113.6° | 109.5° |
| N1 | C3 | C5 | 112.3° | 109.5° |
| N1 | C3 | H5 | 107.2° | 109.5° |
| C3 | N1 | C1 | 129.1° | 120.0° |
| H4 | N1 | C1 | 115.5° | 120.0° |
| C4 | C3 | C5 | 110.7° | 109.4° |
| C4 | C3 | H5 | 106.4° | 109.4° |
| C3 | C4 | O2 | 120.0° | 120.0° |
| C3 | C4 | N2 | 120.7° | 120.0° |
| C5 | C3 | H5 | 106.1° | 109.5° |
| C3 | C5 | C6 | 113.6° | 109.5° |
| C3 | C5 | C7 | 111.1° | 109.5° |
| C3 | C5 | H6 | 106.5° | 109.5° |
| O2 | C4 | N2 | 119.3° | 120.0° |
| C6 | C5 | C7 | 111.8° | 109.5° |
| C6 | C5 | H6 | 106.6° | 109.4° |
| C5 | C6 | C8 | 113.0° | 109.5° |
| C5 | C6 | H7 | 108.6° | 109.4° |
| C5 | C6 | H8 | 108.6° | 109.4° |
| C7 | C5 | H6 | 106.6° | 109.5° |
| C5 | C7 | H9 | 109.5° | 109.5° |
| C5 | C7 | H10 | 109.4° | 109.5° |
| C5 | C7 | H11 | 109.4° | 109.5° |
| C8 | C6 | H7 | 108.6° | 109.5° |
| C8 | C6 | H8 | 108.6° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.5° | 109.4° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H11 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H14 | 109.4° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.4° |
| C9 | N2 | H15 | 119.4° | 120.0° |
| N2 | C9 | C10 | 110.8° | 109.5° |
| N2 | C9 | C11 | 109.2° | 109.4° |
| N2 | C9 | H16 | 109.6° | 109.5° |
| C9 | N2 | C4 | 121.2° | 120.0° |
| H15 | N2 | C4 | 119.4° | 120.0° |
| C10 | C9 | C11 | 109.7° | 109.5° |
| C10 | C9 | H16 | 108.8° | 109.5° |
| C9 | C10 | O3 | 121.8° | 120.0° |
| C9 | C10 | N3 | 115.4° | 120.0° |
| C11 | C9 | H16 | 108.8° | 109.5° |
| C9 | C11 | H17 | 109.5° | 109.4° |
| C9 | C11 | H18 | 109.5° | 109.4° |
| C9 | C11 | H19 | 109.5° | 109.5° |
| O3 | C10 | N3 | 122.8° | 120.0° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H19 | 109.4° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| C12 | N3 | H20 | 117.4° | 120.1° |
| N3 | C12 | C13 | 112.0° | 109.5° |
| N3 | C12 | C14 | 110.5° | 109.5° |
| N3 | C12 | H21 | 109.0° | 109.5° |
| C12 | N3 | C10 | 125.3° | 120.0° |
| H20 | N3 | C10 | 117.4° | 120.0° |
| C13 | C12 | C14 | 108.8° | 109.5° |
| C13 | C12 | H21 | 108.7° | 109.5° |
| C12 | C13 | O4 | 118.6° | 109.5° |
| C12 | C13 | H22 | 107.2° | 109.5° |
| C12 | C13 | H23 | 107.1° | 109.5° |
| C14 | C12 | H21 | 107.8° | 109.5° |
| C12 | C14 | C15 | 118.7° | 109.5° |
| C12 | C14 | H25 | 107.1° | 109.4° |
| C12 | C14 | H26 | 107.1° | 109.5° |
| O4 | C13 | H22 | 107.2° | 109.4° |
| O4 | C13 | H23 | 107.2° | 109.5° |
| C13 | O4 | H24 | 109.5° | 114.1° |
| H22 | C13 | H23 | 109.5° | 109.4° |
| C15 | C14 | H25 | 107.1° | 109.5° |
| C15 | C14 | H26 | 107.1° | 109.5° |
| C14 | C15 | C16 | 120.6° | 120.0° |
| C14 | C15 | C17 | 122.1° | 120.0° |
| H25 | C14 | H26 | 109.5° | 109.5° |
| C16 | C15 | C17 | 117.1° | 120.0° |
| C15 | C16 | C18 | 121.6° | 120.0° |
| C15 | C16 | H27 | 119.2° | 120.0° |
| C15 | C17 | C19 | 121.0° | 120.0° |
| C15 | C17 | H28 | 119.5° | 120.0° |
| C18 | C16 | H27 | 119.2° | 120.0° |
| C16 | C18 | C20 | 119.9° | 120.0° |
| C16 | C18 | H29 | 120.0° | 120.0° |
| C19 | C17 | H28 | 119.5° | 120.0° |
| C17 | C19 | C20 | 119.8° | 120.0° |
| C17 | C19 | H30 | 120.1° | 120.0° |
| C20 | C18 | H29 | 120.0° | 120.1° |
| C18 | C20 | C19 | 120.6° | 120.0° |
| C18 | C20 | H31 | 119.7° | 120.0° |
| C20 | C19 | H30 | 120.1° | 120.0° |
| C19 | C20 | H31 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.2° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.1° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 174.0° | 0.0° |
| O1 | C1 | N1 | H4 | 6.0° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 8.0° | 179.7° |
| C2 | C1 | N1 | H4 | 172.0° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 178.2° | 179.7° |
| H2 | C2 | C1 | N1 | 61.8° | 59.7° |
| H3 | C2 | C1 | N1 | 58.2° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 127.4° | 120.0° |
| N1 | C3 | C4 | H5 | 117.7° | 120.0° |
| N1 | C3 | C5 | H5 | 116.9° | 120.1° |
| N1 | C3 | C4 | O2 | 176.2° | 20.0° |
| N1 | C3 | C5 | C6 | 63.3° | 60.0° |
| N1 | C3 | C5 | C7 | 63.8° | 180.0° |
| N1 | C3 | C5 | H6 | 179.6° | 59.9° |
| N1 | C3 | C4 | N2 | 5.0° | 160.0° |
| H4 | N1 | C3 | C4 | 64.5° | 120.0° |
| H4 | N1 | C3 | C5 | 62.1° | 120.0° |
| H4 | N1 | C3 | H5 | 178.3° | 0.1° |
| C4 | C3 | C5 | H5 | 115.0° | 120.0° |
| C3 | C4 | O2 | N2 | 178.8° | 180.0° |
| C4 | C3 | C5 | C6 | 64.8° | 180.0° |
| C4 | C3 | C5 | C7 | 168.1° | 60.0° |
| C4 | C3 | C5 | H6 | 52.3° | 60.1° |
| C3 | C4 | N2 | C9 | 177.8° | 180.0° |
| C3 | C4 | N2 | H15 | 2.2° | 0.1° |
| C4 | C3 | N1 | C1 | 115.5° | 60.0° |
| C5 | C3 | C4 | O2 | 48.8° | 100.0° |
| C3 | C5 | C6 | C7 | 126.8° | 120.0° |
| C3 | C5 | C6 | H6 | 117.0° | 120.0° |
| C3 | C5 | C7 | H6 | 115.7° | 120.0° |
| C3 | C5 | C6 | C8 | 166.4° | 175.0° |
| C3 | C5 | C6 | H7 | 73.1° | 65.0° |
| C3 | C5 | C6 | H8 | 45.8° | 54.9° |
| C3 | C5 | C7 | H9 | 180.0° | 180.0° |
| C3 | C5 | C7 | H10 | 60.0° | 60.0° |
| C3 | C5 | C7 | H11 | 60.0° | 60.0° |
| C5 | C3 | N1 | C1 | 117.9° | 59.9° |
| C5 | C3 | C4 | N2 | 132.4° | 80.0° |
| H5 | C3 | C4 | O2 | 66.0° | 140.0° |
| H5 | C3 | C5 | C6 | 179.8° | 60.1° |
| H5 | C3 | C5 | C7 | 53.1° | 60.0° |
| H5 | C3 | C5 | H6 | 62.7° | 180.0° |
| H5 | C3 | N1 | C1 | 1.7° | 180.0° |
| H5 | C3 | C4 | N2 | 112.7° | 40.0° |
| O2 | C4 | N2 | C9 | 0.9° | 0.0° |
| O2 | C4 | N2 | H15 | 179.1° | 179.9° |
| C6 | C5 | C7 | H6 | 116.2° | 119.9° |
| C5 | C6 | C8 | H7 | 120.5° | 120.0° |
| C5 | C6 | C8 | H8 | 120.5° | 120.0° |
| C5 | C6 | H7 | H8 | 118.4° | 119.9° |
| C6 | C5 | C7 | H9 | 51.9° | 60.0° |
| C6 | C5 | C7 | H10 | 171.9° | 180.0° |
| C6 | C5 | C7 | H11 | 68.1° | 60.0° |
| C5 | C6 | C8 | H12 | 180.0° | 60.0° |
| C5 | C6 | C8 | H13 | 60.0° | 60.0° |
| C5 | C6 | C8 | H14 | 60.0° | 179.9° |
| C7 | C5 | C6 | C8 | 66.8° | 65.0° |
| C7 | C5 | C6 | H7 | 53.7° | 55.1° |
| C7 | C5 | C6 | H8 | 172.6° | 175.0° |
| C5 | C7 | H9 | H10 | 120.0° | 120.0° |
| C5 | C7 | H9 | H11 | 120.0° | 120.0° |
| C5 | C7 | H10 | H11 | 120.0° | 120.0° |
| H6 | C5 | C6 | C8 | 49.3° | 55.0° |
| H6 | C5 | C6 | H7 | 169.9° | 175.1° |
| H6 | C5 | C6 | H8 | 71.2° | 65.1° |
| H6 | C5 | C7 | H9 | 64.3° | 60.0° |
| H6 | C5 | C7 | H10 | 55.7° | 60.0° |
| H6 | C5 | C7 | H11 | 175.7° | 179.9° |
| C8 | C6 | H7 | H8 | 118.4° | 120.1° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 120.0° |
| C6 | C8 | H13 | H14 | 120.0° | 119.9° |
| H7 | C6 | C8 | H12 | 59.5° | 180.0° |
| H7 | C6 | C8 | H13 | 179.5° | 60.0° |
| H7 | C6 | C8 | H14 | 60.5° | 59.9° |
| H8 | C6 | C8 | H12 | 59.5° | 60.0° |
| H8 | C6 | C8 | H13 | 60.5° | 180.0° |
| H8 | C6 | C8 | H14 | 179.5° | 60.1° |
| H9 | C7 | H10 | H11 | 120.0° | 120.0° |
| H12 | C8 | H13 | H14 | 120.0° | 120.1° |
| C9 | N2 | H15 | C4 | 180.0° | 179.9° |
| N2 | C9 | C10 | C11 | 120.5° | 120.0° |
| N2 | C9 | C10 | H16 | 120.5° | 120.0° |
| N2 | C9 | C11 | H16 | 119.6° | 120.0° |
| N2 | C9 | C10 | O3 | 39.6° | 0.0° |
| N2 | C9 | C11 | H17 | 180.0° | 60.0° |
| N2 | C9 | C11 | H18 | 60.0° | 180.0° |
| N2 | C9 | C11 | H19 | 60.0° | 60.0° |
| N2 | C9 | C10 | N3 | 142.7° | 180.0° |
| H15 | N2 | C9 | C10 | 116.9° | 24.9° |
| H15 | N2 | C9 | C11 | 4.0° | 95.1° |
| H15 | N2 | C9 | H16 | 123.0° | 145.0° |
| C10 | C9 | C11 | H16 | 118.9° | 120.0° |
| C9 | C10 | O3 | N3 | 177.5° | 179.9° |
| C10 | C9 | C11 | H17 | 58.5° | 60.0° |
| C10 | C9 | C11 | H18 | 178.5° | 60.0° |
| C10 | C9 | C11 | H19 | 61.5° | 180.0° |
| C9 | C10 | N3 | C12 | 171.2° | 180.0° |
| C9 | C10 | N3 | H20 | 8.7° | 0.1° |
| C10 | C9 | N2 | C4 | 63.1° | 155.0° |
| C11 | C9 | C10 | O3 | 81.0° | 120.0° |
| C9 | C11 | H17 | H18 | 120.0° | 120.0° |
| C9 | C11 | H17 | H19 | 120.0° | 120.0° |
| C9 | C11 | H18 | H19 | 120.0° | 120.0° |
| C11 | C9 | C10 | N3 | 96.8° | 60.0° |
| C11 | C9 | N2 | C4 | 176.0° | 85.0° |
| H16 | C9 | C10 | O3 | 160.1° | 120.0° |
| H16 | C9 | C11 | H17 | 60.5° | 180.0° |
| H16 | C9 | C11 | H18 | 59.5° | 60.0° |
| H16 | C9 | C11 | H19 | 179.6° | 60.0° |
| H16 | C9 | C10 | N3 | 22.2° | 60.0° |
| H16 | C9 | N2 | C4 | 57.0° | 35.0° |
| O3 | C10 | N3 | C12 | 6.5° | 0.0° |
| O3 | C10 | N3 | H20 | 173.6° | 180.0° |
| H17 | C11 | H18 | H19 | 120.0° | 120.1° |
| C12 | N3 | H20 | C10 | 180.0° | 180.0° |
| N3 | C12 | C13 | C14 | 122.4° | 120.0° |
| N3 | C12 | C13 | H21 | 120.4° | 120.0° |
| N3 | C12 | C14 | H21 | 119.0° | 120.0° |
| N3 | C12 | C13 | O4 | 170.3° | 65.0° |
| N3 | C12 | C13 | H22 | 68.3° | 55.0° |
| N3 | C12 | C13 | H23 | 49.1° | 175.0° |
| N3 | C12 | C14 | C15 | 71.2° | 65.0° |
| N3 | C12 | C14 | H25 | 50.1° | 55.0° |
| N3 | C12 | C14 | H26 | 167.5° | 175.0° |
| H20 | N3 | C12 | C13 | 66.3° | 95.0° |
| H20 | N3 | C12 | C14 | 55.1° | 25.0° |
| H20 | N3 | C12 | H21 | 173.4° | 145.0° |
| C13 | C12 | C14 | H21 | 117.7° | 120.0° |
| C12 | C13 | O4 | H22 | 121.3° | 120.0° |
| C12 | C13 | O4 | H23 | 121.3° | 120.0° |
| C12 | C13 | H22 | H23 | 115.9° | 120.0° |
| C12 | C13 | O4 | H24 | 180.0° | 180.0° |
| C13 | C12 | C14 | C15 | 165.5° | 175.0° |
| C13 | C12 | C14 | H25 | 73.2° | 65.0° |
| C13 | C12 | C14 | H26 | 44.2° | 55.0° |
| C13 | C12 | N3 | C10 | 113.6° | 85.0° |
| C14 | C12 | C13 | O4 | 67.2° | 55.0° |
| C14 | C12 | C13 | H22 | 54.1° | 175.0° |
| C14 | C12 | C13 | H23 | 171.5° | 65.0° |
| C12 | C14 | C15 | H25 | 121.3° | 120.0° |
| C12 | C14 | C15 | H26 | 121.3° | 120.0° |
| C12 | C14 | H25 | H26 | 115.8° | 120.0° |
| C12 | C14 | C15 | C16 | 150.0° | 90.0° |
| C12 | C14 | C15 | C17 | 35.2° | 90.3° |
| C14 | C12 | N3 | C10 | 124.9° | 155.0° |
| H21 | C12 | C13 | O4 | 49.9° | 175.0° |
| H21 | C12 | C13 | H22 | 171.2° | 65.0° |
| H21 | C12 | C13 | H23 | 71.4° | 55.0° |
| H21 | C12 | C14 | C15 | 47.8° | 55.0° |
| H21 | C12 | C14 | H25 | 169.1° | 175.0° |
| H21 | C12 | C14 | H26 | 73.5° | 65.0° |
| H21 | C12 | N3 | C10 | 6.6° | 35.0° |
| O4 | C13 | H22 | H23 | 115.9° | 119.9° |
| H22 | C13 | O4 | H24 | 58.7° | 60.0° |
| H23 | C13 | O4 | H24 | 58.7° | 59.9° |
| C15 | C14 | H25 | H26 | 115.8° | 120.0° |
| C14 | C15 | C16 | C17 | 175.1° | 179.8° |
| C14 | C15 | C16 | C18 | 175.4° | 180.0° |
| C14 | C15 | C16 | H27 | 4.6° | 0.0° |
| C14 | C15 | C17 | C19 | 177.1° | 180.0° |
| C14 | C15 | C17 | H28 | 2.9° | 0.0° |
| H25 | C14 | C15 | C16 | 28.7° | 30.0° |
| H25 | C14 | C15 | C17 | 156.5° | 149.8° |
| H26 | C14 | C15 | C16 | 88.7° | 150.0° |
| H26 | C14 | C15 | C17 | 86.2° | 29.7° |
| C15 | C16 | C18 | H27 | 180.0° | 179.9° |
| C16 | C15 | C17 | C19 | 2.0° | 0.3° |
| C16 | C15 | C17 | H28 | 177.9° | 179.7° |
| C15 | C16 | C18 | C20 | 1.8° | 0.1° |
| C15 | C16 | C18 | H29 | 178.1° | 179.9° |
| C17 | C15 | C16 | C18 | 0.3° | 0.2° |
| C17 | C15 | C16 | H27 | 179.7° | 179.7° |
| C15 | C17 | C19 | H28 | 180.0° | 180.0° |
| C15 | C17 | C19 | C20 | 1.7° | 0.0° |
| C15 | C17 | C19 | H30 | 178.3° | 180.0° |
| C16 | C18 | C20 | H29 | 180.0° | 179.9° |
| C16 | C18 | C20 | C19 | 2.3° | 0.3° |
| C16 | C18 | C20 | H31 | 177.8° | 179.9° |
| H27 | C16 | C18 | C20 | 178.1° | 180.0° |
| H27 | C16 | C18 | H29 | 1.9° | 0.1° |
| C17 | C19 | C20 | C18 | 0.5° | 0.2° |
| C17 | C19 | C20 | H30 | 180.0° | 180.0° |
| C17 | C19 | C20 | H31 | 179.5° | 180.0° |
| H28 | C17 | C19 | C20 | 178.3° | 180.0° |
| H28 | C17 | C19 | H30 | 1.7° | 0.0° |
| C18 | C20 | C19 | H31 | 180.0° | 179.8° |
| C18 | C20 | C19 | H30 | 179.5° | 179.7° |
| H29 | C18 | C20 | C19 | 177.7° | 179.9° |
| H29 | C18 | C20 | H31 | 2.3° | 0.1° |
| H30 | C19 | C20 | H31 | 0.5° | 0.0° |
