A1H2R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | N2 | doub | 1.29Å | 1.33Å | Aromatic |
| N3 | C5 | sing | 1.34Å | 1.35Å | Aromatic |
| N2 | N1 | sing | 1.29Å | 1.30Å | Aromatic |
| O2 | C8 | sing | 1.44Å | 1.43Å | |
| O2 | C9 | sing | 1.44Å | 1.44Å | |
| C8 | C7 | sing | 1.54Å | 1.51Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.35Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.54Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| N1 | C7 | sing | 1.47Å | 1.49Å | |
| N1 | C6 | sing | 1.35Å | 1.32Å | Aromatic |
| N5 | N6 | doub | 1.29Å | 1.31Å | Aromatic |
| N5 | N4 | sing | 1.29Å | 1.31Å | Aromatic |
| C7 | C10 | sing | 1.55Å | 1.47Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| N6 | C15 | sing | 1.35Å | 1.34Å | Aromatic |
| F1 | C10 | sing | 1.40Å | 1.34Å | |
| C14 | N4 | sing | 1.46Å | 1.45Å | |
| C14 | C2 | sing | 1.53Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| N4 | C22 | sing | 1.35Å | 1.31Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.49Å | |
| C11 | O3 | sing | 1.43Å | 1.45Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | O5 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| O4 | C12 | sing | 1.43Å | 1.43Å | |
| C19 | CL1 | sing | 1.74Å | 1.77Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | F3 | sing | 1.35Å | 1.38Å | |
| C20 | F2 | sing | 1.35Å | 1.38Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| O5 | H20 | sing | 0.97Å | 0.95Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N3 | C5 | 109.4° | 108.9° |
| N3 | N2 | N1 | 107.3° | 110.2° |
| N3 | C5 | C4 | 126.1° | 126.8° |
| N3 | C5 | C6 | 105.5° | 106.5° |
| N2 | N1 | C7 | 119.6° | 125.8° |
| N2 | N1 | C6 | 111.2° | 108.3° |
| C8 | O2 | C9 | 107.8° | 105.3° |
| O2 | C8 | C7 | 106.7° | 104.8° |
| O2 | C8 | H10 | 110.2° | 110.4° |
| O2 | C8 | H11 | 110.2° | 110.5° |
| O2 | C9 | C10 | 108.9° | 104.8° |
| O2 | C9 | H12 | 109.6° | 110.3° |
| O2 | C9 | H13 | 109.6° | 110.4° |
| C8 | C7 | N1 | 113.4° | 110.5° |
| C8 | C7 | C10 | 107.0° | 104.0° |
| C8 | C7 | H9 | 107.8° | 110.6° |
| C7 | C8 | H10 | 110.2° | 110.4° |
| C7 | C8 | H11 | 110.1° | 110.4° |
| C4 | C5 | C6 | 128.4° | 126.7° |
| C5 | C4 | C3 | 113.7° | 109.5° |
| C5 | C4 | H7 | 108.5° | 109.4° |
| C5 | C4 | H6 | 108.4° | 109.5° |
| C5 | C6 | N1 | 106.6° | 106.2° |
| C5 | C6 | H8 | 126.7° | 126.9° |
| C9 | C10 | C7 | 104.5° | 104.1° |
| C9 | C10 | F1 | 102.8° | 110.7° |
| C9 | C10 | H14 | 109.5° | 110.5° |
| C10 | C9 | H12 | 109.6° | 110.4° |
| C10 | C9 | H13 | 109.6° | 110.4° |
| C4 | C3 | C2 | 110.9° | 109.5° |
| C4 | C3 | O3 | 112.8° | 109.5° |
| C3 | C4 | H7 | 108.4° | 109.5° |
| C3 | C4 | H6 | 108.4° | 109.5° |
| C4 | C3 | H5 | 107.5° | 109.5° |
| C7 | N1 | C6 | 129.2° | 125.9° |
| N1 | C7 | C10 | 112.1° | 110.5° |
| N1 | C7 | H9 | 108.1° | 110.5° |
| N1 | C6 | H8 | 126.7° | 126.9° |
| N6 | N5 | N4 | 107.4° | 110.4° |
| N5 | N6 | C15 | 109.3° | 108.8° |
| N5 | N4 | C14 | 114.9° | 125.7° |
| N5 | N4 | C22 | 111.2° | 108.5° |
| C7 | C10 | F1 | 116.8° | 110.5° |
| C10 | C7 | H9 | 108.3° | 110.5° |
| C7 | C10 | H14 | 110.2° | 110.5° |
| C1 | O1 | C2 | 115.2° | 114.0° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C2 | C14 | 107.8° | 109.5° |
| O1 | C2 | C3 | 110.1° | 109.5° |
| O1 | C2 | H4 | 109.4° | 109.5° |
| N6 | C15 | C22 | 106.6° | 106.2° |
| N6 | C15 | C16 | 122.5° | 126.9° |
| F1 | C10 | H14 | 112.3° | 110.5° |
| N4 | C14 | C2 | 113.7° | 109.6° |
| N4 | C14 | C13 | 109.5° | 109.5° |
| C14 | N4 | C22 | 133.9° | 125.8° |
| N4 | C14 | H21 | 109.3° | 109.6° |
| C2 | C14 | C13 | 107.5° | 109.0° |
| C14 | C2 | C3 | 113.1° | 109.2° |
| C14 | C2 | H4 | 108.4° | 109.5° |
| C2 | C14 | H21 | 108.6° | 109.6° |
| C14 | C13 | C11 | 109.0° | 109.2° |
| C14 | C13 | O5 | 111.7° | 109.5° |
| C14 | C13 | H19 | 108.5° | 109.5° |
| C13 | C14 | H21 | 108.1° | 109.5° |
| C2 | C3 | O3 | 109.0° | 109.4° |
| C3 | C2 | H4 | 108.0° | 109.7° |
| C2 | C3 | H5 | 107.5° | 109.5° |
| C3 | O3 | C11 | 114.2° | 114.0° |
| O3 | C3 | H5 | 108.9° | 109.5° |
| N4 | C22 | C15 | 105.5° | 106.0° |
| N4 | C22 | H24 | 127.2° | 127.0° |
| C18 | C17 | C16 | 120.0° | 119.9° |
| C17 | C18 | C19 | 120.2° | 120.2° |
| C18 | C17 | H22 | 120.0° | 120.0° |
| C17 | C18 | H23 | 119.9° | 119.9° |
| C17 | C16 | C15 | 119.3° | 120.1° |
| C17 | C16 | C21 | 120.0° | 119.8° |
| C16 | C17 | H22 | 120.0° | 120.0° |
| C22 | C15 | C16 | 130.9° | 126.9° |
| C15 | C22 | H24 | 127.3° | 127.0° |
| C15 | C16 | C21 | 120.7° | 120.1° |
| O3 | C11 | C13 | 111.5° | 109.4° |
| O3 | C11 | C12 | 107.6° | 109.5° |
| O3 | C11 | H15 | 109.4° | 109.6° |
| C13 | C11 | C12 | 111.6° | 109.5° |
| C11 | C13 | O5 | 108.9° | 109.5° |
| C11 | C13 | H19 | 108.6° | 109.5° |
| C13 | C11 | H15 | 108.3° | 109.5° |
| C11 | C12 | O4 | 109.7° | 109.4° |
| C12 | C11 | H15 | 108.4° | 109.5° |
| C11 | C12 | H16 | 109.4° | 109.5° |
| C11 | C12 | H17 | 109.4° | 109.5° |
| O5 | C13 | H19 | 110.1° | 109.5° |
| C13 | O5 | H20 | 109.5° | 114.0° |
| C18 | C19 | CL1 | 118.8° | 119.9° |
| C18 | C19 | C20 | 120.4° | 120.2° |
| C19 | C18 | H23 | 119.9° | 119.9° |
| C16 | C21 | C20 | 119.9° | 119.8° |
| C16 | C21 | F3 | 120.6° | 120.0° |
| O4 | C12 | H16 | 109.4° | 109.5° |
| O4 | C12 | H17 | 109.4° | 109.5° |
| C12 | O4 | H18 | 109.5° | 114.0° |
| CL1 | C19 | C20 | 120.8° | 119.9° |
| C19 | C20 | C21 | 119.4° | 120.1° |
| C19 | C20 | F2 | 124.6° | 120.0° |
| C20 | C21 | F3 | 119.5° | 120.1° |
| C21 | C20 | F2 | 115.9° | 120.0° |
| H7 | C4 | H6 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 110.3° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.4° | 109.5° |
| H12 | C9 | H13 | 109.5° | 110.4° |
| H16 | C12 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | N3 | C5 | C4 | 179.2° | 180.0° |
| N2 | N3 | C5 | C6 | 0.6° | 0.0° |
| N3 | N2 | N1 | C7 | 178.6° | 180.0° |
| N3 | N2 | N1 | C6 | 1.1° | 0.3° |
| C5 | N3 | N2 | N1 | 1.0° | 0.2° |
| N3 | C5 | C4 | C6 | 179.7° | 180.0° |
| N3 | C5 | C4 | C3 | 172.1° | 55.0° |
| N3 | C5 | C6 | N1 | 0.1° | 0.2° |
| N3 | C5 | C4 | H7 | 67.3° | 65.0° |
| N3 | C5 | C4 | H6 | 51.5° | 175.0° |
| N3 | C5 | C6 | H8 | 179.9° | 179.8° |
| N2 | N1 | C7 | C8 | 21.1° | 150.7° |
| N2 | N1 | C6 | C5 | 0.7° | 0.3° |
| N2 | N1 | C7 | C6 | 179.6° | 179.7° |
| N2 | N1 | C7 | C10 | 100.2° | 94.7° |
| N2 | N1 | C6 | H8 | 179.3° | 179.7° |
| N2 | N1 | C7 | H9 | 140.6° | 27.9° |
| O2 | C8 | C7 | H10 | 119.6° | 118.9° |
| O2 | C8 | C7 | H11 | 119.6° | 118.9° |
| C8 | O2 | C9 | C10 | 14.0° | 40.5° |
| O2 | C8 | C7 | N1 | 101.8° | 94.6° |
| O2 | C8 | C7 | C10 | 22.3° | 24.0° |
| O2 | C8 | C7 | H9 | 138.6° | 142.7° |
| O2 | C8 | H10 | H11 | 121.3° | 122.4° |
| C8 | O2 | C9 | H12 | 105.9° | 159.4° |
| C8 | O2 | C9 | H13 | 133.9° | 78.3° |
| C9 | O2 | C8 | C7 | 22.2° | 40.5° |
| O2 | C9 | C10 | H12 | 119.9° | 118.8° |
| O2 | C9 | C10 | H13 | 119.9° | 118.8° |
| O2 | C9 | C10 | C7 | 0.1° | 24.0° |
| O2 | C9 | C10 | F1 | 122.5° | 94.7° |
| C9 | O2 | C8 | H10 | 141.8° | 78.3° |
| C9 | O2 | C8 | H11 | 97.4° | 159.4° |
| O2 | C9 | C10 | H14 | 117.9° | 142.6° |
| O2 | C9 | H12 | H13 | 120.3° | 122.3° |
| C8 | C7 | C10 | C9 | 13.3° | 0.0° |
| C8 | C7 | N1 | C10 | 121.3° | 114.6° |
| C8 | C7 | N1 | H9 | 119.5° | 122.8° |
| C8 | C7 | N1 | C6 | 158.5° | 29.6° |
| C8 | C7 | C10 | H9 | 116.0° | 118.8° |
| C8 | C7 | C10 | F1 | 126.2° | 118.8° |
| C7 | C8 | H10 | H11 | 121.2° | 122.2° |
| C8 | C7 | C10 | H14 | 104.2° | 118.7° |
| C5 | C4 | C3 | H7 | 120.7° | 120.0° |
| C5 | C4 | C3 | H6 | 120.6° | 120.0° |
| C4 | C5 | C6 | N1 | 179.9° | 179.8° |
| C5 | C4 | C3 | C2 | 175.7° | 175.0° |
| C5 | C4 | C3 | O3 | 53.1° | 65.0° |
| C5 | C4 | H7 | H6 | 118.1° | 120.0° |
| C4 | C5 | C6 | H8 | 0.1° | 0.2° |
| C5 | C4 | C3 | H5 | 67.0° | 55.0° |
| C6 | C5 | C4 | C3 | 8.2° | 125.0° |
| C5 | C6 | N1 | C7 | 178.9° | 180.0° |
| C5 | C6 | N1 | H8 | 180.0° | 180.0° |
| C6 | C5 | C4 | H7 | 112.4° | 115.1° |
| C6 | C5 | C4 | H6 | 128.8° | 5.0° |
| C9 | C10 | C7 | N1 | 111.6° | 118.7° |
| C9 | C10 | C7 | F1 | 112.9° | 118.8° |
| C9 | C10 | C7 | H14 | 117.5° | 118.6° |
| C9 | C10 | F1 | H14 | 117.6° | 122.7° |
| C9 | C10 | C7 | H9 | 129.3° | 118.8° |
| C10 | C9 | H12 | H13 | 120.3° | 122.4° |
| C4 | C3 | C2 | O1 | 51.9° | 57.5° |
| C4 | C3 | C2 | C14 | 68.8° | 62.4° |
| C4 | C3 | C2 | O3 | 124.8° | 120.0° |
| C4 | C3 | C2 | H5 | 117.3° | 120.0° |
| C4 | C3 | O3 | H5 | 119.3° | 120.0° |
| C4 | C3 | O3 | C11 | 68.5° | 58.8° |
| C3 | C4 | H7 | H6 | 118.1° | 120.0° |
| C4 | C3 | C2 | H4 | 171.2° | 177.7° |
| N1 | C7 | C10 | H9 | 119.1° | 122.6° |
| N1 | C7 | C10 | F1 | 1.3° | 0.2° |
| C7 | N1 | C6 | H8 | 1.1° | 0.0° |
| N1 | C7 | C8 | H10 | 17.8° | 146.5° |
| N1 | C7 | C8 | H11 | 138.6° | 24.3° |
| N1 | C7 | C10 | H14 | 130.9° | 122.7° |
| C6 | N1 | C7 | C10 | 80.2° | 85.0° |
| C6 | N1 | C7 | H9 | 39.0° | 152.4° |
| N6 | N5 | N4 | C14 | 177.9° | 179.7° |
| N6 | N5 | N4 | C22 | 0.1° | 0.3° |
| N5 | N6 | C15 | C22 | 1.7° | 0.5° |
| N5 | N6 | C15 | C16 | 180.0° | 179.9° |
| N4 | N5 | N6 | C15 | 1.0° | 0.5° |
| N5 | N4 | C14 | C22 | 177.2° | 180.0° |
| N5 | N4 | C14 | C2 | 122.2° | 95.0° |
| N5 | N4 | C14 | C13 | 117.5° | 145.5° |
| N5 | N4 | C22 | C15 | 1.1° | 0.0° |
| N5 | N4 | C22 | H24 | 178.9° | 180.0° |
| N5 | N4 | C14 | H21 | 0.7° | 25.4° |
| C7 | C10 | F1 | H14 | 128.6° | 122.5° |
| C10 | C7 | C8 | H10 | 141.9° | 94.9° |
| C10 | C7 | C8 | H11 | 97.3° | 142.9° |
| C7 | C10 | C9 | H12 | 119.9° | 142.8° |
| C7 | C10 | C9 | H13 | 119.9° | 94.8° |
| C1 | O1 | C2 | C14 | 156.9° | 150.1° |
| C1 | O1 | C2 | C3 | 79.3° | 90.2° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| C1 | O1 | C2 | H4 | 39.2° | 30.1° |
| O1 | C2 | C14 | N4 | 59.3° | 63.2° |
| O1 | C2 | C14 | C3 | 121.9° | 119.9° |
| O1 | C2 | C14 | H4 | 118.4° | 120.0° |
| O1 | C2 | C14 | C13 | 179.3° | 176.9° |
| O1 | C2 | C3 | H4 | 119.4° | 120.2° |
| O1 | C2 | C3 | O3 | 176.7° | 177.5° |
| C2 | O1 | C1 | H2 | 180.0° | 179.9° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| O1 | C2 | C3 | H5 | 65.4° | 62.5° |
| O1 | C2 | C14 | H21 | 62.6° | 57.0° |
| N6 | C15 | C22 | N4 | 1.6° | 0.3° |
| N6 | C15 | C16 | C17 | 24.3° | 0.4° |
| N6 | C15 | C22 | C16 | 178.1° | 179.6° |
| N6 | C15 | C16 | C21 | 154.4° | 179.6° |
| N6 | C15 | C22 | H24 | 178.4° | 179.7° |
| F1 | C10 | C7 | H9 | 117.9° | 122.4° |
| F1 | C10 | C9 | H12 | 117.6° | 24.1° |
| F1 | C10 | C9 | H13 | 2.6° | 146.4° |
| N4 | C14 | C2 | C13 | 121.3° | 119.9° |
| N4 | C14 | C2 | H21 | 121.9° | 120.3° |
| N4 | C14 | C13 | H21 | 119.0° | 120.2° |
| N4 | C14 | C2 | C3 | 178.7° | 176.9° |
| C14 | N4 | C22 | C15 | 178.3° | 180.0° |
| N4 | C14 | C13 | C11 | 179.5° | 176.9° |
| N4 | C14 | C13 | O5 | 60.2° | 56.9° |
| N4 | C14 | C13 | H19 | 61.4° | 63.2° |
| C14 | N4 | C22 | H24 | 1.6° | 0.0° |
| N4 | C14 | C2 | H4 | 59.0° | 56.8° |
| C2 | C14 | C13 | H21 | 117.0° | 119.9° |
| C14 | C2 | C3 | H4 | 120.0° | 120.0° |
| C14 | C2 | C3 | O3 | 56.0° | 57.6° |
| C2 | C14 | N4 | C22 | 55.0° | 85.0° |
| C2 | C14 | C13 | C11 | 56.6° | 57.0° |
| C2 | C14 | C13 | O5 | 63.7° | 63.0° |
| C2 | C14 | C13 | H19 | 174.7° | 176.9° |
| C14 | C2 | C3 | H5 | 174.0° | 177.6° |
| C13 | C14 | C2 | C3 | 57.4° | 57.0° |
| C13 | C14 | N4 | C22 | 65.2° | 34.5° |
| C14 | C13 | C11 | O3 | 57.5° | 57.7° |
| C14 | C13 | C11 | O5 | 122.1° | 120.0° |
| C14 | C13 | C11 | H19 | 118.0° | 119.9° |
| C14 | C13 | C11 | C12 | 177.9° | 177.6° |
| C14 | C13 | O5 | H19 | 120.7° | 120.1° |
| C13 | C14 | C2 | H4 | 62.3° | 63.1° |
| C14 | C13 | C11 | H15 | 62.9° | 62.4° |
| C14 | C13 | O5 | H20 | 180.0° | 179.9° |
| C2 | C3 | O3 | H5 | 117.1° | 120.0° |
| C2 | C3 | O3 | C11 | 55.2° | 61.2° |
| C2 | C3 | C4 | H7 | 55.1° | 65.0° |
| C2 | C3 | C4 | H6 | 63.7° | 55.0° |
| C3 | C2 | C14 | H21 | 59.3° | 62.9° |
| C3 | O3 | C11 | C13 | 58.2° | 61.2° |
| C3 | O3 | C11 | C12 | 179.1° | 178.9° |
| O3 | C3 | C4 | H7 | 67.6° | 54.9° |
| O3 | C3 | C4 | H6 | 173.7° | 174.9° |
| O3 | C3 | C2 | H4 | 64.0° | 62.3° |
| C3 | O3 | C11 | H15 | 61.5° | 58.9° |
| N4 | C22 | C15 | H24 | 180.0° | 180.0° |
| N4 | C22 | C15 | C16 | 179.8° | 179.9° |
| C22 | N4 | C14 | H21 | 176.5° | 154.7° |
| C18 | C17 | C16 | H22 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 178.7° | 180.0° |
| C17 | C18 | C19 | H23 | 180.0° | 179.9° |
| C18 | C17 | C16 | C21 | 0.0° | 0.0° |
| C17 | C18 | C19 | CL1 | 178.9° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C16 | C15 | C22 | 153.6° | 180.0° |
| C17 | C16 | C15 | C21 | 178.6° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C17 | C16 | C21 | C20 | 0.7° | 0.0° |
| C17 | C16 | C21 | F3 | 179.9° | 179.9° |
| C16 | C17 | C18 | H23 | 179.6° | 180.0° |
| C22 | C15 | C16 | C21 | 27.8° | 0.0° |
| C15 | C16 | C21 | C20 | 179.4° | 180.0° |
| C15 | C16 | C21 | F3 | 1.4° | 0.0° |
| C15 | C16 | C17 | H22 | 1.3° | 0.3° |
| C16 | C15 | C22 | H24 | 0.2° | 0.0° |
| O3 | C11 | C13 | C12 | 120.4° | 119.9° |
| O3 | C11 | C13 | H15 | 120.4° | 120.1° |
| O3 | C11 | C12 | H15 | 118.2° | 120.1° |
| O3 | C11 | C13 | O5 | 64.6° | 62.3° |
| O3 | C11 | C12 | O4 | 63.1° | 65.0° |
| O3 | C11 | C13 | H19 | 175.5° | 177.6° |
| C11 | O3 | C3 | H5 | 172.3° | 178.9° |
| O3 | C11 | C12 | H16 | 176.9° | 175.0° |
| O3 | C11 | C12 | H17 | 57.0° | 55.0° |
| C13 | C11 | C12 | H15 | 119.1° | 120.0° |
| C11 | C13 | O5 | H19 | 118.9° | 120.1° |
| C13 | C11 | C12 | O4 | 174.3° | 175.1° |
| C13 | C11 | C12 | H16 | 54.3° | 55.1° |
| C13 | C11 | C12 | H17 | 65.6° | 64.9° |
| C11 | C13 | O5 | H20 | 59.6° | 60.1° |
| C11 | C13 | C14 | H21 | 60.4° | 62.9° |
| C12 | C11 | C13 | O5 | 55.8° | 57.6° |
| C11 | C12 | O4 | H16 | 120.0° | 120.0° |
| C11 | C12 | O4 | H17 | 120.1° | 120.0° |
| C12 | C11 | C13 | H19 | 64.1° | 62.5° |
| C11 | C12 | H16 | H17 | 119.9° | 120.0° |
| C11 | C12 | O4 | H18 | 180.0° | 179.9° |
| O5 | C13 | C11 | H15 | 175.0° | 177.7° |
| O5 | C13 | C14 | H21 | 179.2° | 177.1° |
| C18 | C19 | CL1 | C20 | 179.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.6° | 0.0° |
| C18 | C19 | C20 | F2 | 179.9° | 180.0° |
| C19 | C18 | C17 | H22 | 179.6° | 179.7° |
| C16 | C21 | C20 | C19 | 1.0° | 0.0° |
| C16 | C21 | C20 | F3 | 179.2° | 179.9° |
| C16 | C21 | C20 | F2 | 179.6° | 180.0° |
| C21 | C16 | C17 | H22 | 180.0° | 179.7° |
| O4 | C12 | C11 | H15 | 55.2° | 55.1° |
| O4 | C12 | H16 | H17 | 119.9° | 120.0° |
| CL1 | C19 | C20 | C21 | 179.6° | 179.9° |
| CL1 | C19 | C20 | F2 | 1.1° | 0.0° |
| CL1 | C19 | C18 | H23 | 1.1° | 0.1° |
| C19 | C20 | C21 | F2 | 179.4° | 180.0° |
| C19 | C20 | C21 | F3 | 179.8° | 180.0° |
| C20 | C19 | C18 | H23 | 179.9° | 179.9° |
| F3 | C21 | C20 | F2 | 0.4° | 0.1° |
| H7 | C4 | C3 | H5 | 172.3° | 175.0° |
| H6 | C4 | C3 | H5 | 53.6° | 65.0° |
| H9 | C7 | C8 | H10 | 101.8° | 23.8° |
| H9 | C7 | C8 | H11 | 19.0° | 98.4° |
| H9 | C7 | C10 | H14 | 11.7° | 0.1° |
| H14 | C10 | C9 | H12 | 1.9° | 98.6° |
| H14 | C10 | C9 | H13 | 122.1° | 23.8° |
| H19 | C13 | C11 | H15 | 55.1° | 57.6° |
| H19 | C13 | O5 | H20 | 59.3° | 60.0° |
| H19 | C13 | C14 | H21 | 57.6° | 57.0° |
| H22 | C17 | C18 | H23 | 0.4° | 0.2° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H4 | C2 | C3 | H5 | 54.0° | 57.7° |
| H4 | C2 | C14 | H21 | 179.1° | 177.1° |
| H15 | C11 | C12 | H16 | 64.8° | 64.9° |
| H15 | C11 | C12 | H17 | 175.2° | 175.1° |
| H16 | C12 | O4 | H18 | 60.0° | 59.9° |
| H17 | C12 | O4 | H18 | 59.9° | 60.1° |
