PRD_000338
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.22Å | 0.00Å | |
| C1 | O2 | sing | 1.35Å | 0.00Å | |
| O2 | C2 | sing | 1.45Å | 0.00Å | |
| C2 | C3 | sing | 1.51Å | 0.00Å | |
| C2 | H1 | sing | 1.09Å | 0.00Å | |
| C2 | H2 | sing | 1.09Å | 0.00Å | |
| C3 | C4 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | H3 | sing | 1.08Å | 0.00Å | |
| C5 | C6 | doub | 1.38Å | 0.00Å | Aromatic |
| C5 | H4 | sing | 1.08Å | 0.00Å | |
| C6 | C7 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | H5 | sing | 1.08Å | 0.00Å | |
| C7 | C8 | doub | 1.38Å | 0.00Å | Aromatic |
| C7 | H6 | sing | 1.08Å | 0.00Å | |
| C8 | H7 | sing | 1.08Å | 0.00Å | |
| N1 | C9 | sing | 1.47Å | 1.51Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C9 | C11 | sing | 1.53Å | 1.57Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.24Å | |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| N2 | C14 | sing | 1.47Å | 1.48Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.52Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | O4 | doub | 1.21Å | 1.22Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| N3 | C17 | sing | 1.46Å | 1.46Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | O5 | doub | 1.21Å | 1.24Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | O6 | doub | 1.21Å | 1.25Å | |
| C20 | O7 | sing | 1.34Å | 1.25Å | |
| O7 | H26 | sing | 0.97Å | 0.95Å | |
| C21 | F1 | sing | 1.40Å | 116.62Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 115.83Å | |
| C18 | C21 | sing | 1.51Å | 1.25Å | |
| C10 | N2 | sing | 1.35Å | 1.34Å | |
| C15 | N3 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 90.0° | 120.0° |
| O1 | C1 | N1 | 90.0° | 120.0° |
| C1 | O2 | C2 | 90.0° | 117.0° |
| O2 | C1 | N1 | 90.0° | 120.0° |
| O2 | C2 | C3 | 90.0° | 109.5° |
| O2 | C2 | H1 | 90.0° | 109.5° |
| O2 | C2 | H2 | 90.0° | 109.5° |
| C3 | C2 | H1 | 90.0° | 109.4° |
| C3 | C2 | H2 | 90.0° | 109.5° |
| C2 | C3 | C4 | 90.0° | 120.0° |
| C2 | C3 | C8 | 90.0° | 120.0° |
| H1 | C2 | H2 | 90.0° | 109.5° |
| C4 | C3 | C8 | 90.0° | 120.0° |
| C3 | C4 | C5 | 90.0° | 120.0° |
| C3 | C4 | H3 | 90.0° | 120.0° |
| C3 | C8 | C7 | 90.0° | 120.0° |
| C3 | C8 | H7 | 90.0° | 120.0° |
| C5 | C4 | H3 | 90.0° | 120.0° |
| C4 | C5 | C6 | 90.0° | 120.0° |
| C4 | C5 | H4 | 90.0° | 120.0° |
| C6 | C5 | H4 | 90.0° | 120.1° |
| C5 | C6 | C7 | 90.0° | 120.1° |
| C5 | C6 | H5 | 90.0° | 119.9° |
| C7 | C6 | H5 | 90.0° | 120.0° |
| C6 | C7 | C8 | 90.0° | 120.0° |
| C6 | C7 | H6 | 90.0° | 120.0° |
| C8 | C7 | H6 | 90.0° | 120.0° |
| C7 | C8 | H7 | 90.0° | 120.0° |
| C9 | N1 | H8 | 125.4° | 120.0° |
| N1 | C9 | C10 | 113.5° | 109.5° |
| N1 | C9 | C11 | 112.0° | 109.5° |
| N1 | C9 | H9 | 106.9° | 109.4° |
| C9 | N1 | C1 | 109.3° | 120.0° |
| H8 | N1 | C1 | 125.4° | 120.0° |
| C10 | C9 | C11 | 111.2° | 109.5° |
| C10 | C9 | H9 | 106.5° | 109.5° |
| C9 | C10 | O3 | 120.1° | 120.0° |
| C9 | C10 | N2 | 116.9° | 120.0° |
| C11 | C9 | H9 | 106.3° | 109.5° |
| C9 | C11 | C12 | 110.7° | 109.5° |
| C9 | C11 | C13 | 111.7° | 109.5° |
| C9 | C11 | H10 | 107.6° | 109.5° |
| O3 | C10 | N2 | 123.0° | 120.0° |
| C12 | C11 | C13 | 110.0° | 109.4° |
| C12 | C11 | H10 | 108.6° | 109.5° |
| C11 | C12 | H11 | 109.5° | 109.5° |
| C11 | C12 | H12 | 109.4° | 109.4° |
| C11 | C12 | H13 | 109.4° | 109.4° |
| C13 | C11 | H10 | 108.2° | 109.5° |
| C11 | C13 | H14 | 109.5° | 109.5° |
| C11 | C13 | H15 | 109.5° | 109.4° |
| C11 | C13 | H16 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H11 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| H14 | C13 | H15 | 109.4° | 109.5° |
| H14 | C13 | H16 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| C14 | N2 | H17 | 118.4° | 120.0° |
| N2 | C14 | C15 | 115.8° | 109.4° |
| N2 | C14 | C16 | 110.2° | 109.4° |
| N2 | C14 | H18 | 107.1° | 109.5° |
| C14 | N2 | C10 | 123.1° | 120.0° |
| H17 | N2 | C10 | 118.5° | 120.0° |
| C15 | C14 | C16 | 110.0° | 109.5° |
| C15 | C14 | H18 | 106.6° | 109.5° |
| C14 | C15 | O4 | 120.7° | 120.0° |
| C14 | C15 | N3 | 116.7° | 120.0° |
| C16 | C14 | H18 | 106.7° | 109.5° |
| C14 | C16 | H19 | 109.5° | 109.4° |
| C14 | C16 | H20 | 109.5° | 109.5° |
| C14 | C16 | H21 | 109.5° | 109.5° |
| O4 | C15 | N3 | 122.6° | 120.0° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H19 | C16 | H21 | 109.5° | 109.4° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| C17 | N3 | H22 | 119.1° | 120.0° |
| N3 | C17 | C18 | 111.8° | 109.5° |
| N3 | C17 | C19 | 110.7° | 109.5° |
| N3 | C17 | H23 | 108.8° | 109.5° |
| C17 | N3 | C15 | 121.8° | 120.0° |
| H22 | N3 | C15 | 119.1° | 120.0° |
| C18 | C17 | C19 | 109.4° | 109.5° |
| C18 | C17 | H23 | 108.1° | 109.5° |
| C17 | C18 | O5 | 119.2° | 120.0° |
| C17 | C18 | C21 | 121.0° | 120.0° |
| C19 | C17 | H23 | 108.0° | 109.4° |
| C17 | C19 | C20 | 112.5° | 109.5° |
| C17 | C19 | H24 | 108.7° | 109.4° |
| C17 | C19 | H25 | 108.7° | 109.5° |
| O5 | C18 | C21 | 119.8° | 120.0° |
| C20 | C19 | H24 | 108.7° | 109.5° |
| C20 | C19 | H25 | 108.7° | 109.5° |
| C19 | C20 | O6 | 117.8° | 120.0° |
| C19 | C20 | O7 | 118.4° | 120.0° |
| H24 | C19 | H25 | 109.5° | 109.4° |
| O6 | C20 | O7 | 123.9° | 120.0° |
| C20 | O7 | H26 | 109.5° | 117.0° |
| F1 | C21 | H27 | 123.3° | 109.5° |
| F1 | C21 | H28 | 123.2° | 109.4° |
| F1 | C21 | C18 | 36.5° | 109.4° |
| H27 | C21 | H28 | 109.5° | 109.4° |
| H27 | C21 | C18 | 123.3° | 109.5° |
| H28 | C21 | C18 | 123.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 90.0° | 179.7° |
| O1 | C1 | O2 | C2 | 90.0° | 0.0° |
| O1 | C1 | N1 | C9 | 90.0° | 0.0° |
| O1 | C1 | N1 | H8 | 90.0° | 180.0° |
| C1 | O2 | C2 | C3 | 90.0° | 180.0° |
| C1 | O2 | C2 | H1 | 90.0° | 60.0° |
| C1 | O2 | C2 | H2 | 90.0° | 60.0° |
| O2 | C1 | N1 | C9 | 90.0° | 179.7° |
| O2 | C1 | N1 | H8 | 90.0° | 0.3° |
| O2 | C2 | C3 | H1 | 90.0° | 120.0° |
| O2 | C2 | C3 | H2 | 90.0° | 120.0° |
| O2 | C2 | H1 | H2 | 90.0° | 120.0° |
| O2 | C2 | C3 | C4 | 90.0° | 90.0° |
| O2 | C2 | C3 | C8 | 90.0° | 90.3° |
| C2 | O2 | C1 | N1 | 90.0° | 179.7° |
| C3 | C2 | H1 | H2 | 90.0° | 120.0° |
| C2 | C3 | C4 | C8 | 90.0° | 179.7° |
| C2 | C3 | C4 | C5 | 90.0° | 180.0° |
| C2 | C3 | C4 | H3 | 90.0° | 0.1° |
| C2 | C3 | C8 | C7 | 90.0° | 179.8° |
| C2 | C3 | C8 | H7 | 90.0° | 0.0° |
| H1 | C2 | C3 | C4 | 90.0° | 30.0° |
| H1 | C2 | C3 | C8 | 90.0° | 149.7° |
| H2 | C2 | C3 | C4 | 90.0° | 150.0° |
| H2 | C2 | C3 | C8 | 90.0° | 29.7° |
| C3 | C4 | C5 | H3 | 90.0° | 179.9° |
| C3 | C4 | C5 | C6 | 90.0° | 0.1° |
| C3 | C4 | C5 | H4 | 90.0° | 179.9° |
| C4 | C3 | C8 | C7 | 90.0° | 0.5° |
| C4 | C3 | C8 | H7 | 90.0° | 179.7° |
| C8 | C3 | C4 | C5 | 90.0° | 0.3° |
| C8 | C3 | C4 | H3 | 90.0° | 179.8° |
| C3 | C8 | C7 | C6 | 90.0° | 0.5° |
| C3 | C8 | C7 | H7 | 90.0° | 179.8° |
| C3 | C8 | C7 | H6 | 90.0° | 179.7° |
| C4 | C5 | C6 | H4 | 90.0° | 180.0° |
| C4 | C5 | C6 | C7 | 90.0° | 0.1° |
| C4 | C5 | C6 | H5 | 90.0° | 180.0° |
| H3 | C4 | C5 | C6 | 90.0° | 180.0° |
| H3 | C4 | C5 | H4 | 90.0° | 0.1° |
| C5 | C6 | C7 | H5 | 90.0° | 179.9° |
| C5 | C6 | C7 | C8 | 90.0° | 0.3° |
| C5 | C6 | C7 | H6 | 90.0° | 180.0° |
| H4 | C5 | C6 | C7 | 90.0° | 180.0° |
| H4 | C5 | C6 | H5 | 90.0° | 0.1° |
| C6 | C7 | C8 | H6 | 90.0° | 179.8° |
| C6 | C7 | C8 | H7 | 90.0° | 179.7° |
| H5 | C6 | C7 | C8 | 90.0° | 179.8° |
| H5 | C6 | C7 | H6 | 90.0° | 0.0° |
| H6 | C7 | C8 | H7 | 90.0° | 0.1° |
| C9 | N1 | H8 | C1 | 180.0° | 180.0° |
| N1 | C9 | C10 | C11 | 127.4° | 120.0° |
| N1 | C9 | C10 | H9 | 117.3° | 120.0° |
| N1 | C9 | C11 | H9 | 116.4° | 119.9° |
| N1 | C9 | C10 | O3 | 49.8° | 21.1° |
| N1 | C9 | C11 | C12 | 52.7° | 64.7° |
| N1 | C9 | C11 | C13 | 175.7° | 55.3° |
| N1 | C9 | C11 | H10 | 65.8° | 175.3° |
| N1 | C9 | C10 | N2 | 131.2° | 159.0° |
| H8 | N1 | C9 | C10 | 115.9° | 25.0° |
| H8 | N1 | C9 | C11 | 117.2° | 95.0° |
| H8 | N1 | C9 | H9 | 1.2° | 145.1° |
| C10 | C9 | C11 | H9 | 115.5° | 120.1° |
| C9 | C10 | O3 | N2 | 178.9° | 179.9° |
| C10 | C9 | C11 | C12 | 75.5° | 175.4° |
| C10 | C9 | C11 | C13 | 47.5° | 64.7° |
| C10 | C9 | C11 | H10 | 166.0° | 55.3° |
| C9 | C10 | N2 | C14 | 169.3° | 175.5° |
| C9 | C10 | N2 | H17 | 10.7° | 4.5° |
| C10 | C9 | N1 | C1 | 64.1° | 155.0° |
| C11 | C9 | C10 | O3 | 77.5° | 98.9° |
| C9 | C11 | C12 | C13 | 123.9° | 120.0° |
| C9 | C11 | C12 | H10 | 117.9° | 120.0° |
| C9 | C11 | C13 | H10 | 118.2° | 120.0° |
| C9 | C11 | C12 | H11 | 180.0° | 66.1° |
| C9 | C11 | C12 | H12 | 60.0° | 173.7° |
| C9 | C11 | C12 | H13 | 60.0° | 53.9° |
| C9 | C11 | C13 | H14 | 180.0° | 60.0° |
| C9 | C11 | C13 | H15 | 60.0° | 180.0° |
| C9 | C11 | C13 | H16 | 60.0° | 60.0° |
| C11 | C9 | N1 | C1 | 62.8° | 85.0° |
| C11 | C9 | C10 | N2 | 101.4° | 81.0° |
| H9 | C9 | C10 | O3 | 167.1° | 141.1° |
| H9 | C9 | C11 | C12 | 169.0° | 55.3° |
| H9 | C9 | C11 | C13 | 68.0° | 175.2° |
| H9 | C9 | C11 | H10 | 50.6° | 64.7° |
| H9 | C9 | N1 | C1 | 178.8° | 35.0° |
| H9 | C9 | C10 | N2 | 13.9° | 39.0° |
| O3 | C10 | N2 | C14 | 11.8° | 4.6° |
| O3 | C10 | N2 | H17 | 168.2° | 175.5° |
| C12 | C11 | C13 | H10 | 118.4° | 120.0° |
| C11 | C12 | H11 | H12 | 120.0° | 120.0° |
| C11 | C12 | H11 | H13 | 120.0° | 120.0° |
| C11 | C12 | H12 | H13 | 120.0° | 119.9° |
| C12 | C11 | C13 | H14 | 56.7° | 180.0° |
| C12 | C11 | C13 | H15 | 63.3° | 60.0° |
| C12 | C11 | C13 | H16 | 176.7° | 60.0° |
| C13 | C11 | C12 | H11 | 56.1° | 53.8° |
| C13 | C11 | C12 | H12 | 176.1° | 66.3° |
| C13 | C11 | C12 | H13 | 64.0° | 173.8° |
| C11 | C13 | H14 | H15 | 120.0° | 120.0° |
| C11 | C13 | H14 | H16 | 120.0° | 120.0° |
| C11 | C13 | H15 | H16 | 120.0° | 120.0° |
| H10 | C11 | C12 | H11 | 62.1° | 173.8° |
| H10 | C11 | C12 | H12 | 57.9° | 53.7° |
| H10 | C11 | C12 | H13 | 177.9° | 66.2° |
| H10 | C11 | C13 | H14 | 61.8° | 60.0° |
| H10 | C11 | C13 | H15 | 178.2° | 60.0° |
| H10 | C11 | C13 | H16 | 58.2° | 180.0° |
| H11 | C12 | H12 | H13 | 120.0° | 120.0° |
| H14 | C13 | H15 | H16 | 120.0° | 120.0° |
| C14 | N2 | H17 | C10 | 180.0° | 180.0° |
| N2 | C14 | C15 | C16 | 125.7° | 119.9° |
| N2 | C14 | C15 | H18 | 119.0° | 120.0° |
| N2 | C14 | C16 | H18 | 115.9° | 120.0° |
| N2 | C14 | C15 | O4 | 32.7° | 0.1° |
| N2 | C14 | C16 | H19 | 180.0° | 180.0° |
| N2 | C14 | C16 | H20 | 60.0° | 60.0° |
| N2 | C14 | C16 | H21 | 60.0° | 60.0° |
| N2 | C14 | C15 | N3 | 148.1° | 180.0° |
| H17 | N2 | C14 | C15 | 102.9° | 25.0° |
| H17 | N2 | C14 | C16 | 22.7° | 95.0° |
| H17 | N2 | C14 | H18 | 138.4° | 145.0° |
| C15 | C14 | C16 | H18 | 115.2° | 120.1° |
| C14 | C15 | O4 | N3 | 179.2° | 179.9° |
| C15 | C14 | C16 | H19 | 51.1° | 60.0° |
| C15 | C14 | C16 | H20 | 171.1° | 180.0° |
| C15 | C14 | C16 | H21 | 68.9° | 59.9° |
| C14 | C15 | N3 | C17 | 179.7° | 180.0° |
| C14 | C15 | N3 | H22 | 0.3° | 0.0° |
| C15 | C14 | N2 | C10 | 77.1° | 155.0° |
| C16 | C14 | C15 | O4 | 93.0° | 120.0° |
| C14 | C16 | H19 | H20 | 120.0° | 120.0° |
| C14 | C16 | H19 | H21 | 120.0° | 120.0° |
| C14 | C16 | H20 | H21 | 120.0° | 120.1° |
| C16 | C14 | N2 | C10 | 157.3° | 85.0° |
| C16 | C14 | C15 | N3 | 86.2° | 60.1° |
| H18 | C14 | C15 | O4 | 151.8° | 119.9° |
| H18 | C14 | C16 | H19 | 64.0° | 60.1° |
| H18 | C14 | C16 | H20 | 56.0° | 59.9° |
| H18 | C14 | C16 | H21 | 176.0° | 180.0° |
| H18 | C14 | N2 | C10 | 41.6° | 35.0° |
| H18 | C14 | C15 | N3 | 29.0° | 60.0° |
| O4 | C15 | N3 | C17 | 1.1° | 0.1° |
| O4 | C15 | N3 | H22 | 178.9° | 180.0° |
| H19 | C16 | H20 | H21 | 120.0° | 120.0° |
| C17 | N3 | H22 | C15 | 180.0° | 180.0° |
| N3 | C17 | C18 | C19 | 123.0° | 120.0° |
| N3 | C17 | C18 | H23 | 119.7° | 120.0° |
| N3 | C17 | C19 | H23 | 119.0° | 120.0° |
| N3 | C17 | C18 | O5 | 114.7° | 14.9° |
| N3 | C17 | C19 | C20 | 69.5° | 65.0° |
| N3 | C17 | C19 | H24 | 50.9° | 55.1° |
| N3 | C17 | C19 | H25 | 170.1° | 175.0° |
| N3 | C17 | C18 | C21 | 65.6° | 165.0° |
| H22 | N3 | C17 | C18 | 87.2° | 95.0° |
| H22 | N3 | C17 | C19 | 35.0° | 25.0° |
| H22 | N3 | C17 | H23 | 153.6° | 144.9° |
| C18 | C17 | C19 | H23 | 117.4° | 120.0° |
| C17 | C18 | O5 | C21 | 179.7° | 179.9° |
| C18 | C17 | C19 | C20 | 166.9° | 175.0° |
| C18 | C17 | C19 | H24 | 72.7° | 65.0° |
| C18 | C17 | C19 | H25 | 46.5° | 55.0° |
| C17 | C18 | C21 | F1 | 70.9° | 180.0° |
| C17 | C18 | C21 | H27 | 31.6° | 60.0° |
| C17 | C18 | C21 | H28 | 173.4° | 60.1° |
| C18 | C17 | N3 | C15 | 92.8° | 85.0° |
| C19 | C17 | C18 | O5 | 8.3° | 105.1° |
| C17 | C19 | C20 | H24 | 120.4° | 120.0° |
| C17 | C19 | C20 | H25 | 120.5° | 120.0° |
| C17 | C19 | H24 | H25 | 118.7° | 119.9° |
| C17 | C19 | C20 | O6 | 128.4° | 0.0° |
| C17 | C19 | C20 | O7 | 50.6° | 180.0° |
| C19 | C17 | C18 | C21 | 171.4° | 75.0° |
| C19 | C17 | N3 | C15 | 144.9° | 155.0° |
| H23 | C17 | C18 | O5 | 125.6° | 135.0° |
| H23 | C17 | C19 | C20 | 49.6° | 55.0° |
| H23 | C17 | C19 | H24 | 170.0° | 175.0° |
| H23 | C17 | C19 | H25 | 70.9° | 65.0° |
| H23 | C17 | C18 | C21 | 54.1° | 44.9° |
| H23 | C17 | N3 | C15 | 26.4° | 35.1° |
| O5 | C18 | C21 | F1 | 108.8° | 0.1° |
| O5 | C18 | C21 | H27 | 148.7° | 119.9° |
| O5 | C18 | C21 | H28 | 6.3° | 120.0° |
| C20 | C19 | H24 | H25 | 118.6° | 120.0° |
| C19 | C20 | O6 | O7 | 178.9° | 180.0° |
| C19 | C20 | O7 | H26 | 178.9° | 180.0° |
| H24 | C19 | C20 | O6 | 7.9° | 120.0° |
| H24 | C19 | C20 | O7 | 171.0° | 60.0° |
| H25 | C19 | C20 | O6 | 111.2° | 120.0° |
| H25 | C19 | C20 | O7 | 69.9° | 60.0° |
| O6 | C20 | O7 | H26 | 0.0° | 0.0° |
| F1 | C21 | H27 | H28 | 158.0° | 119.9° |
| F1 | C21 | H27 | C18 | 44.0° | 120.0° |
| F1 | C21 | H28 | C18 | 44.0° | 120.0° |
| H27 | C21 | H28 | C18 | 158.0° | 120.1° |
