PRD_000419
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.30Å | |
| C1 | C2 | sing | 1.51Å | 1.60Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.57Å | |
| C3 | C5 | sing | 1.53Å | 1.58Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.21Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.46Å | 1.61Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.72Å | |
| C6 | C8 | sing | 1.53Å | 1.31Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.29Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | C9 | sing | 1.47Å | 1.47Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.57Å | |
| C9 | C11 | sing | 1.53Å | 1.50Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | O4 | doub | 1.21Å | 1.30Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | doub | 1.38Å | 1.44Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.38Å | 1.45Å | Aromatic |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| N4 | C18 | sing | 1.47Å | 1.43Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.49Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | O5 | doub | 1.21Å | 1.29Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | CL1 | sing | 1.80Å | 35.98Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.26Å | |
| C19 | C21 | sing | 1.51Å | 1.45Å | |
| C4 | N2 | sing | 1.35Å | 1.35Å | |
| C7 | N3 | sing | 1.35Å | 1.25Å | |
| C10 | N4 | sing | 1.35Å | 1.38Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 119.9° | 120.0° |
| O1 | C1 | N1 | 126.9° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 113.1° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 119.5° | 119.9° |
| N1 | C3 | C4 | 108.6° | 109.5° |
| N1 | C3 | C5 | 106.5° | 109.5° |
| N1 | C3 | H5 | 112.1° | 109.5° |
| C3 | N1 | C1 | 121.1° | 120.0° |
| H4 | N1 | C1 | 119.5° | 120.0° |
| C4 | C3 | C5 | 108.8° | 109.4° |
| C4 | C3 | H5 | 110.4° | 109.5° |
| C3 | C4 | O2 | 118.9° | 120.0° |
| C3 | C4 | N2 | 116.3° | 120.0° |
| C5 | C3 | H5 | 110.3° | 109.4° |
| C3 | C5 | H6 | 109.5° | 109.4° |
| C3 | C5 | H7 | 109.5° | 109.5° |
| C3 | C5 | H8 | 109.5° | 109.5° |
| O2 | C4 | N2 | 124.5° | 120.0° |
| H6 | C5 | H7 | 109.4° | 109.5° |
| H6 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| C6 | N2 | H9 | 117.7° | 120.0° |
| N2 | C6 | C7 | 103.0° | 109.5° |
| N2 | C6 | C8 | 108.5° | 109.4° |
| N2 | C6 | H10 | 109.8° | 109.5° |
| C6 | N2 | C4 | 124.6° | 120.0° |
| H9 | N2 | C4 | 117.7° | 120.0° |
| C7 | C6 | C8 | 112.0° | 109.5° |
| C7 | C6 | H10 | 108.4° | 109.4° |
| C6 | C7 | O3 | 121.1° | 120.0° |
| C6 | C7 | N3 | 113.7° | 120.0° |
| C8 | C6 | H10 | 114.6° | 109.5° |
| C6 | C8 | H11 | 109.5° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.5° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| O3 | C7 | N3 | 124.6° | 120.0° |
| H11 | C8 | H12 | 109.5° | 109.4° |
| H11 | C8 | H13 | 109.4° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| C9 | N3 | H14 | 117.2° | 120.0° |
| N3 | C9 | C10 | 105.4° | 109.5° |
| N3 | C9 | C11 | 107.9° | 109.5° |
| N3 | C9 | H15 | 109.7° | 109.5° |
| C9 | N3 | C7 | 125.6° | 120.0° |
| H14 | N3 | C7 | 117.2° | 120.1° |
| C10 | C9 | C11 | 115.8° | 109.5° |
| C10 | C9 | H15 | 108.4° | 109.5° |
| C9 | C10 | O4 | 110.2° | 120.0° |
| C9 | C10 | N4 | 125.0° | 120.0° |
| C11 | C9 | H15 | 109.4° | 109.5° |
| C9 | C11 | C12 | 111.8° | 109.5° |
| C9 | C11 | H16 | 108.9° | 109.5° |
| C9 | C11 | H17 | 108.9° | 109.5° |
| O4 | C10 | N4 | 124.7° | 120.0° |
| C12 | C11 | H16 | 108.9° | 109.4° |
| C12 | C11 | H17 | 108.9° | 109.5° |
| C11 | C12 | C13 | 116.3° | 120.0° |
| C11 | C12 | C14 | 122.0° | 120.0° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| C13 | C12 | C14 | 120.1° | 120.0° |
| C12 | C13 | C15 | 116.4° | 120.0° |
| C12 | C13 | H18 | 121.8° | 120.0° |
| C12 | C14 | C16 | 121.5° | 120.0° |
| C12 | C14 | H19 | 119.2° | 120.0° |
| C15 | C13 | H18 | 121.8° | 120.0° |
| C13 | C15 | C17 | 124.8° | 120.0° |
| C13 | C15 | H20 | 117.6° | 120.0° |
| C16 | C14 | H19 | 119.2° | 120.0° |
| C14 | C16 | C17 | 121.0° | 120.0° |
| C14 | C16 | H21 | 119.5° | 120.0° |
| C17 | C15 | H20 | 117.6° | 120.0° |
| C15 | C17 | C16 | 115.1° | 120.0° |
| C15 | C17 | H22 | 122.4° | 120.0° |
| C17 | C16 | H21 | 119.5° | 120.0° |
| C16 | C17 | H22 | 122.4° | 120.0° |
| C18 | N4 | H23 | 118.9° | 120.0° |
| N4 | C18 | C19 | 110.4° | 109.5° |
| N4 | C18 | C20 | 107.6° | 109.5° |
| N4 | C18 | H24 | 111.6° | 109.4° |
| C18 | N4 | C10 | 122.2° | 120.0° |
| H23 | N4 | C10 | 118.9° | 120.0° |
| C19 | C18 | C20 | 106.1° | 109.5° |
| C19 | C18 | H24 | 110.3° | 109.5° |
| C18 | C19 | O5 | 112.4° | 120.0° |
| C18 | C19 | C21 | 132.1° | 120.0° |
| C20 | C18 | H24 | 110.6° | 109.5° |
| C18 | C20 | H25 | 109.5° | 109.5° |
| C18 | C20 | H26 | 109.5° | 109.5° |
| C18 | C20 | H27 | 109.5° | 109.5° |
| O5 | C19 | C21 | 115.4° | 120.0° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H25 | C20 | H27 | 109.5° | 109.4° |
| H26 | C20 | H27 | 109.5° | 109.4° |
| CL1 | C21 | H28 | 125.0° | 109.4° |
| CL1 | C21 | H29 | 125.0° | 109.4° |
| CL1 | C21 | C19 | 13.1° | 109.5° |
| H28 | C21 | H29 | 109.5° | 109.5° |
| H28 | C21 | C19 | 125.0° | 109.5° |
| H29 | C21 | C19 | 125.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.8° | 179.8° |
| 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 | 2.7° | 0.0° |
| O1 | C1 | N1 | H4 | 177.3° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | H1 | H3 | 120.0° | 120.1° |
| C1 | C2 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | N1 | C3 | 178.6° | 179.8° |
| C2 | C1 | N1 | H4 | 1.4° | 0.2° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 178.8° | 179.7° |
| H2 | C2 | C1 | N1 | 58.8° | 59.8° |
| H3 | C2 | C1 | N1 | 61.2° | 60.2° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 115.5° | 120.0° |
| N1 | C3 | C4 | H5 | 123.3° | 120.0° |
| N1 | C3 | C5 | H5 | 121.8° | 120.0° |
| N1 | C3 | C4 | O2 | 0.0° | 0.0° |
| N1 | C3 | C5 | H6 | 180.0° | 60.0° |
| N1 | C3 | C5 | H7 | 60.0° | 60.0° |
| N1 | C3 | C5 | H8 | 60.0° | 179.9° |
| N1 | C3 | C4 | N2 | 174.3° | 180.0° |
| H4 | N1 | C3 | C4 | 104.7° | 25.0° |
| H4 | N1 | C3 | C5 | 12.3° | 95.0° |
| H4 | N1 | C3 | H5 | 133.0° | 145.0° |
| C4 | C3 | C5 | H5 | 121.3° | 119.9° |
| C3 | C4 | O2 | N2 | 173.8° | 180.0° |
| C4 | C3 | C5 | H6 | 63.1° | 180.0° |
| C4 | C3 | C5 | H7 | 176.9° | 60.1° |
| C4 | C3 | C5 | H8 | 56.9° | 60.0° |
| C3 | C4 | N2 | C6 | 170.1° | 180.0° |
| C3 | C4 | N2 | H9 | 9.9° | 0.1° |
| C4 | C3 | N1 | C1 | 75.2° | 155.0° |
| C5 | C3 | C4 | O2 | 115.5° | 120.0° |
| C3 | C5 | H6 | H7 | 120.0° | 120.0° |
| C3 | C5 | H6 | H8 | 120.0° | 120.0° |
| C3 | C5 | H7 | H8 | 120.0° | 120.0° |
| C5 | C3 | N1 | C1 | 167.8° | 85.0° |
| C5 | C3 | C4 | N2 | 70.2° | 60.0° |
| H5 | C3 | C4 | O2 | 123.2° | 120.0° |
| H5 | C3 | C5 | H6 | 58.2° | 60.0° |
| H5 | C3 | C5 | H7 | 61.8° | 180.0° |
| H5 | C3 | C5 | H8 | 178.2° | 59.9° |
| H5 | C3 | N1 | C1 | 47.0° | 35.0° |
| H5 | C3 | C4 | N2 | 51.1° | 59.9° |
| O2 | C4 | N2 | C6 | 3.9° | 0.0° |
| O2 | C4 | N2 | H9 | 176.1° | 180.0° |
| H6 | C5 | H7 | H8 | 120.0° | 120.0° |
| C6 | N2 | H9 | C4 | 180.0° | 179.9° |
| N2 | C6 | C7 | C8 | 116.4° | 120.0° |
| N2 | C6 | C7 | H10 | 116.3° | 120.0° |
| N2 | C6 | C8 | H10 | 123.0° | 120.0° |
| N2 | C6 | C7 | O3 | 42.4° | 0.1° |
| N2 | C6 | C8 | H11 | 180.0° | 180.0° |
| N2 | C6 | C8 | H12 | 60.0° | 60.0° |
| N2 | C6 | C8 | H13 | 60.0° | 60.0° |
| N2 | C6 | C7 | N3 | 146.2° | 180.0° |
| H9 | N2 | C6 | C7 | 80.2° | 25.0° |
| H9 | N2 | C6 | C8 | 38.6° | 95.1° |
| H9 | N2 | C6 | H10 | 164.5° | 145.0° |
| C7 | C6 | C8 | H10 | 124.0° | 120.0° |
| C6 | C7 | O3 | N3 | 170.4° | 179.9° |
| C7 | C6 | C8 | H11 | 67.0° | 60.0° |
| C7 | C6 | C8 | H12 | 173.0° | 179.9° |
| C7 | C6 | C8 | H13 | 53.0° | 60.0° |
| C6 | C7 | N3 | C9 | 179.5° | 180.0° |
| C6 | C7 | N3 | H14 | 0.4° | 0.1° |
| C7 | C6 | N2 | C4 | 99.8° | 154.9° |
| C8 | C6 | C7 | O3 | 73.9° | 119.9° |
| C6 | C8 | H11 | H12 | 120.0° | 120.0° |
| C6 | C8 | H11 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C8 | C6 | N2 | C4 | 141.4° | 85.0° |
| C8 | C6 | C7 | N3 | 97.4° | 59.9° |
| H10 | C6 | C7 | O3 | 158.7° | 120.1° |
| H10 | C6 | C8 | H11 | 57.0° | 60.0° |
| H10 | C6 | C8 | H12 | 63.0° | 60.0° |
| H10 | C6 | C8 | H13 | 177.0° | 180.0° |
| H10 | C6 | N2 | C4 | 15.5° | 35.0° |
| H10 | C6 | C7 | N3 | 30.0° | 60.0° |
| O3 | C7 | N3 | C9 | 9.5° | 0.1° |
| O3 | C7 | N3 | H14 | 170.6° | 180.0° |
| H11 | C8 | H12 | H13 | 120.0° | 120.0° |
| C9 | N3 | H14 | C7 | 180.0° | 179.9° |
| N3 | C9 | C10 | C11 | 119.2° | 120.0° |
| N3 | C9 | C10 | H15 | 117.4° | 120.0° |
| N3 | C9 | C11 | H15 | 119.3° | 120.0° |
| N3 | C9 | C10 | O4 | 46.2° | 0.0° |
| N3 | C9 | C11 | C12 | 72.1° | 65.0° |
| N3 | C9 | C11 | H16 | 48.3° | 54.9° |
| N3 | C9 | C11 | H17 | 167.6° | 175.0° |
| N3 | C9 | C10 | N4 | 130.0° | 180.0° |
| H14 | N3 | C9 | C10 | 97.7° | 25.0° |
| H14 | N3 | C9 | C11 | 26.6° | 95.0° |
| H14 | N3 | C9 | H15 | 145.7° | 145.1° |
| C10 | C9 | C11 | H15 | 122.9° | 120.0° |
| C9 | C10 | O4 | N4 | 176.3° | 180.0° |
| C10 | C9 | C11 | C12 | 170.2° | 175.0° |
| C10 | C9 | C11 | H16 | 69.5° | 65.0° |
| C10 | C9 | C11 | H17 | 49.8° | 55.0° |
| C9 | C10 | N4 | C18 | 177.8° | 180.0° |
| C9 | C10 | N4 | H23 | 2.2° | 0.0° |
| C10 | C9 | N3 | C7 | 82.3° | 155.0° |
| C11 | C9 | C10 | O4 | 72.9° | 120.0° |
| C9 | C11 | C12 | H16 | 120.4° | 120.0° |
| C9 | C11 | C12 | H17 | 120.4° | 120.0° |
| C9 | C11 | H16 | H17 | 118.9° | 120.1° |
| C9 | C11 | C12 | C13 | 70.7° | 90.0° |
| C9 | C11 | C12 | C14 | 94.8° | 90.2° |
| C11 | C9 | N3 | C7 | 153.4° | 85.0° |
| C11 | C9 | C10 | N4 | 110.8° | 60.0° |
| H15 | C9 | C10 | O4 | 163.7° | 120.0° |
| H15 | C9 | C11 | C12 | 47.3° | 55.0° |
| H15 | C9 | C11 | H16 | 167.6° | 174.9° |
| H15 | C9 | C11 | H17 | 73.1° | 65.0° |
| H15 | C9 | N3 | C7 | 34.3° | 35.0° |
| H15 | C9 | C10 | N4 | 12.6° | 60.0° |
| O4 | C10 | N4 | C18 | 6.5° | 0.0° |
| O4 | C10 | N4 | H23 | 173.5° | 180.0° |
| C12 | C11 | H16 | H17 | 118.9° | 119.9° |
| C11 | C12 | C13 | C14 | 165.8° | 179.8° |
| C11 | C12 | C13 | C15 | 176.9° | 180.0° |
| C11 | C12 | C13 | H18 | 3.1° | 0.1° |
| C11 | C12 | C14 | C16 | 175.0° | 180.0° |
| C11 | C12 | C14 | H19 | 5.0° | 0.1° |
| H16 | C11 | C12 | C13 | 168.9° | 30.1° |
| H16 | C11 | C12 | C14 | 25.6° | 149.8° |
| H17 | C11 | C12 | C13 | 49.7° | 150.0° |
| H17 | C11 | C12 | C14 | 144.8° | 29.8° |
| C12 | C13 | C15 | H18 | 180.0° | 179.9° |
| C13 | C12 | C14 | C16 | 10.0° | 0.2° |
| C13 | C12 | C14 | H19 | 170.0° | 179.7° |
| C12 | C13 | C15 | C17 | 9.6° | 0.0° |
| C12 | C13 | C15 | H20 | 170.4° | 179.9° |
| C14 | C12 | C13 | C15 | 11.1° | 0.2° |
| C14 | C12 | C13 | H18 | 168.9° | 179.7° |
| C12 | C14 | C16 | H19 | 180.0° | 180.0° |
| C12 | C14 | C16 | C17 | 6.5° | 0.0° |
| C12 | C14 | C16 | H21 | 173.5° | 180.0° |
| C13 | C15 | C17 | H20 | 180.0° | 179.9° |
| C13 | C15 | C17 | C16 | 6.2° | 0.3° |
| C13 | C15 | C17 | H22 | 173.7° | 179.9° |
| H18 | C13 | C15 | C17 | 170.4° | 180.0° |
| H18 | C13 | C15 | H20 | 9.6° | 0.1° |
| C14 | C16 | C17 | C15 | 4.3° | 0.3° |
| C14 | C16 | C17 | H21 | 180.0° | 180.0° |
| C14 | C16 | C17 | H22 | 175.7° | 179.9° |
| H19 | C14 | C16 | C17 | 173.5° | 180.0° |
| H19 | C14 | C16 | H21 | 6.5° | 0.0° |
| C15 | C17 | C16 | H22 | 180.0° | 179.8° |
| C15 | C17 | C16 | H21 | 175.7° | 179.8° |
| H20 | C15 | C17 | C16 | 173.8° | 179.8° |
| H20 | C15 | C17 | H22 | 6.3° | 0.0° |
| H21 | C16 | C17 | H22 | 4.3° | 0.0° |
| C18 | N4 | H23 | C10 | 180.0° | 180.0° |
| N4 | C18 | C19 | C20 | 116.3° | 120.0° |
| N4 | C18 | C19 | H24 | 123.8° | 120.0° |
| N4 | C18 | C20 | H24 | 122.2° | 120.0° |
| N4 | C18 | C19 | O5 | 170.6° | 15.0° |
| N4 | C18 | C20 | H25 | 180.0° | 60.0° |
| N4 | C18 | C20 | H26 | 60.0° | 179.9° |
| N4 | C18 | C20 | H27 | 60.0° | 60.0° |
| N4 | C18 | C19 | C21 | 5.2° | 165.0° |
| H23 | N4 | C18 | C19 | 76.1° | 25.0° |
| H23 | N4 | C18 | C20 | 39.3° | 95.0° |
| H23 | N4 | C18 | H24 | 160.9° | 145.0° |
| C19 | C18 | C20 | H24 | 119.6° | 120.0° |
| C18 | C19 | O5 | C21 | 176.5° | 180.0° |
| C19 | C18 | C20 | H25 | 61.8° | 60.0° |
| C19 | C18 | C20 | H26 | 178.2° | 60.0° |
| C19 | C18 | C20 | H27 | 58.2° | 180.0° |
| C18 | C19 | C21 | CL1 | 144.6° | 180.0° |
| C18 | C19 | C21 | H28 | 49.9° | 60.0° |
| C18 | C19 | C21 | H29 | 120.8° | 60.1° |
| C19 | C18 | N4 | C10 | 103.9° | 155.0° |
| C20 | C18 | C19 | O5 | 73.1° | 105.0° |
| C18 | C20 | H25 | H26 | 120.0° | 120.1° |
| C18 | C20 | H25 | H27 | 120.0° | 120.0° |
| C18 | C20 | H26 | H27 | 120.0° | 120.0° |
| C20 | C18 | C19 | C21 | 111.2° | 75.0° |
| C20 | C18 | N4 | C10 | 140.7° | 85.0° |
| H24 | C18 | C19 | O5 | 46.8° | 135.0° |
| H24 | C18 | C20 | H25 | 57.8° | 179.9° |
| H24 | C18 | C20 | H26 | 62.2° | 60.0° |
| H24 | C18 | C20 | H27 | 177.8° | 60.0° |
| H24 | C18 | C19 | C21 | 129.0° | 45.0° |
| H24 | C18 | N4 | C10 | 19.1° | 35.0° |
| O5 | C19 | C21 | CL1 | 31.1° | 0.0° |
| O5 | C19 | C21 | H28 | 125.7° | 120.0° |
| O5 | C19 | C21 | H29 | 63.6° | 119.9° |
| H25 | C20 | H26 | H27 | 120.0° | 119.9° |
| CL1 | C21 | H28 | H29 | 172.0° | 120.0° |
| CL1 | C21 | H28 | C19 | 16.0° | 120.0° |
| CL1 | C21 | H29 | C19 | 16.0° | 120.0° |
| H28 | C21 | H29 | C19 | 172.0° | 120.0° |
