A1H2S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | N2 | doub | 1.29Å | 1.31Å | Aromatic |
| N3 | C5 | sing | 1.34Å | 1.35Å | Aromatic |
| N2 | N1 | sing | 1.29Å | 1.28Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.49Å | |
| C5 | C6 | doub | 1.35Å | 1.38Å | Aromatic |
| N1 | C7 | sing | 1.47Å | 1.45Å | |
| N1 | C6 | sing | 1.35Å | 1.32Å | Aromatic |
| C7 | C10 | sing | 1.54Å | 1.46Å | |
| C7 | C8 | sing | 1.55Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.54Å | 1.51Å | |
| C10 | F1 | sing | 1.40Å | 1.34Å | |
| N5 | N6 | doub | 1.29Å | 1.31Å | Aromatic |
| N5 | N4 | sing | 1.29Å | 1.31Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| N6 | C15 | sing | 1.35Å | 1.33Å | Aromatic |
| C9 | O2 | sing | 1.44Å | 1.47Å | |
| C8 | O2 | sing | 1.44Å | 1.41Å | |
| C14 | N4 | sing | 1.47Å | 1.44Å | |
| C14 | C2 | sing | 1.53Å | 1.49Å | |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.46Å | |
| N4 | C22 | sing | 1.35Å | 1.31Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C22 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.49Å | |
| C11 | O3 | sing | 1.43Å | 1.43Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | O5 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| O4 | C12 | sing | 1.43Å | 1.43Å | |
| C19 | CL1 | sing | 1.74Å | 1.80Å | |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | F3 | sing | 1.35Å | 1.40Å | |
| C20 | F2 | sing | 1.35Å | 1.41Å | |
| 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 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | 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 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | 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 | 109.8° | 108.8° |
| N3 | N2 | N1 | 106.8° | 110.2° |
| N3 | C5 | C4 | 122.7° | 126.7° |
| N3 | C5 | C6 | 105.7° | 106.5° |
| N2 | N1 | C7 | 111.0° | 125.8° |
| N2 | N1 | C6 | 113.1° | 108.3° |
| C4 | C5 | C6 | 131.6° | 126.8° |
| C5 | C4 | C3 | 113.0° | 109.5° |
| C5 | C4 | H7 | 108.6° | 109.5° |
| C5 | C4 | H6 | 108.6° | 109.4° |
| C5 | C6 | N1 | 104.6° | 106.2° |
| C5 | C6 | H8 | 127.7° | 126.9° |
| C7 | N1 | C6 | 135.9° | 125.8° |
| N1 | C7 | C10 | 111.5° | 110.5° |
| N1 | C7 | C8 | 111.5° | 110.5° |
| N1 | C7 | H9 | 109.4° | 110.4° |
| N1 | C6 | H8 | 127.7° | 126.9° |
| C10 | C7 | C8 | 106.6° | 104.1° |
| C7 | C10 | C9 | 102.0° | 104.1° |
| C7 | C10 | F1 | 111.9° | 110.5° |
| C10 | C7 | H9 | 109.2° | 110.5° |
| C7 | C10 | H14 | 112.3° | 110.5° |
| C7 | C8 | O2 | 104.9° | 104.8° |
| C8 | C7 | H9 | 108.6° | 110.6° |
| C7 | C8 | H11 | 110.6° | 110.4° |
| C7 | C8 | H10 | 110.6° | 110.4° |
| C4 | C3 | C2 | 110.2° | 109.5° |
| C4 | C3 | O3 | 113.3° | 109.4° |
| C3 | C4 | H7 | 108.6° | 109.5° |
| C3 | C4 | H6 | 108.6° | 109.5° |
| C4 | C3 | H5 | 107.2° | 109.5° |
| C9 | C10 | F1 | 103.5° | 110.5° |
| C10 | C9 | O2 | 107.0° | 104.8° |
| C9 | C10 | H14 | 111.5° | 110.5° |
| C10 | C9 | H13 | 110.1° | 110.3° |
| C10 | C9 | H12 | 110.1° | 110.4° |
| F1 | C10 | H14 | 114.5° | 110.6° |
| N6 | N5 | N4 | 108.2° | 110.5° |
| N5 | N6 | C15 | 108.6° | 108.8° |
| N5 | N4 | C14 | 114.1° | 125.7° |
| N5 | N4 | C22 | 110.4° | 108.5° |
| C1 | O1 | C2 | 115.2° | 114.0° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C2 | C14 | 107.7° | 109.5° |
| O1 | C2 | C3 | 110.8° | 109.5° |
| O1 | C2 | H4 | 109.7° | 109.5° |
| N6 | C15 | C22 | 106.8° | 106.1° |
| N6 | C15 | C16 | 123.4° | 126.9° |
| C9 | O2 | C8 | 109.4° | 105.2° |
| O2 | C9 | H13 | 110.1° | 110.4° |
| O2 | C9 | H12 | 110.1° | 110.4° |
| O2 | C8 | H11 | 110.6° | 110.4° |
| O2 | C8 | H10 | 110.6° | 110.3° |
| N4 | C14 | C2 | 113.3° | 109.6° |
| N4 | C14 | C13 | 110.4° | 109.5° |
| C14 | N4 | C22 | 135.3° | 125.8° |
| N4 | C14 | H21 | 109.1° | 109.6° |
| C2 | C14 | C13 | 107.8° | 109.1° |
| C14 | C2 | C3 | 111.4° | 109.2° |
| C14 | C2 | H4 | 108.8° | 109.6° |
| C2 | C14 | H21 | 108.4° | 109.7° |
| C14 | C13 | C11 | 110.5° | 109.2° |
| C14 | C13 | O5 | 110.7° | 109.5° |
| C14 | C13 | H19 | 108.0° | 109.5° |
| C13 | C14 | H21 | 107.6° | 109.5° |
| C2 | C3 | O3 | 110.6° | 109.4° |
| C3 | C2 | H4 | 108.4° | 109.6° |
| C2 | C3 | H5 | 107.2° | 109.5° |
| C3 | O3 | C11 | 112.3° | 114.0° |
| O3 | C3 | H5 | 108.0° | 109.5° |
| N4 | C22 | C15 | 106.0° | 106.1° |
| N4 | C22 | H24 | 127.0° | 127.0° |
| C18 | C17 | C16 | 118.6° | 120.0° |
| C17 | C18 | C19 | 120.5° | 120.1° |
| C18 | C17 | H22 | 120.7° | 120.0° |
| C17 | C18 | H23 | 119.7° | 119.9° |
| C17 | C16 | C15 | 116.7° | 120.2° |
| C17 | C16 | C21 | 121.2° | 119.7° |
| C16 | C17 | H22 | 120.7° | 119.9° |
| C22 | C15 | C16 | 129.8° | 127.0° |
| C15 | C22 | H24 | 127.0° | 126.9° |
| C15 | C16 | C21 | 122.1° | 120.1° |
| O3 | C11 | C13 | 111.1° | 109.4° |
| O3 | C11 | C12 | 110.4° | 109.5° |
| O3 | C11 | H15 | 108.6° | 109.5° |
| C13 | C11 | C12 | 112.0° | 109.5° |
| C11 | C13 | O5 | 109.4° | 109.5° |
| C11 | C13 | H19 | 108.4° | 109.5° |
| C13 | C11 | H15 | 107.4° | 109.5° |
| C11 | C12 | O4 | 110.4° | 109.5° |
| C12 | C11 | H15 | 107.2° | 109.5° |
| C11 | C12 | H16 | 109.2° | 109.5° |
| C11 | C12 | H17 | 109.2° | 109.5° |
| O5 | C13 | H19 | 109.8° | 109.5° |
| C13 | O5 | H20 | 109.5° | 114.0° |
| C18 | C19 | CL1 | 118.5° | 119.8° |
| C18 | C19 | C20 | 120.9° | 120.3° |
| C19 | C18 | H23 | 119.7° | 120.0° |
| C16 | C21 | C20 | 121.0° | 119.8° |
| C16 | C21 | F3 | 120.0° | 120.1° |
| O4 | C12 | H16 | 109.2° | 109.5° |
| O4 | C12 | H17 | 109.2° | 109.4° |
| C12 | O4 | H18 | 109.5° | 114.1° |
| CL1 | C19 | C20 | 120.6° | 119.9° |
| C19 | C20 | C21 | 117.7° | 120.0° |
| C19 | C20 | F2 | 127.1° | 120.0° |
| C20 | C21 | F3 | 118.9° | 120.1° |
| C21 | C20 | F2 | 115.2° | 120.0° |
| H7 | C4 | H6 | 109.5° | 109.5° |
| H11 | C8 | H10 | 109.5° | 110.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H13 | C9 | H12 | 109.5° | 110.4° |
| H16 | C12 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | N3 | C5 | C4 | 179.7° | 180.0° |
| N2 | N3 | C5 | C6 | 1.4° | 0.0° |
| N3 | N2 | N1 | C7 | 179.8° | 180.0° |
| N3 | N2 | N1 | C6 | 0.3° | 0.2° |
| C5 | N3 | N2 | N1 | 0.7° | 0.1° |
| N3 | C5 | C4 | C6 | 177.8° | 180.0° |
| N3 | C5 | C6 | N1 | 1.5° | 0.1° |
| N3 | C5 | C4 | C3 | 156.5° | 55.1° |
| N3 | C5 | C4 | H7 | 82.9° | 64.9° |
| N3 | C5 | C4 | H6 | 36.0° | 175.0° |
| N3 | C5 | C6 | H8 | 178.5° | 179.8° |
| N2 | N1 | C6 | C5 | 1.2° | 0.2° |
| N2 | N1 | C7 | C6 | 179.3° | 179.7° |
| N2 | N1 | C7 | C10 | 111.8° | 95.3° |
| N2 | N1 | C7 | C8 | 129.2° | 150.1° |
| N2 | N1 | C6 | H8 | 178.8° | 179.7° |
| N2 | N1 | C7 | H9 | 9.1° | 27.3° |
| C4 | C5 | C6 | N1 | 179.6° | 179.9° |
| C5 | C4 | C3 | H7 | 120.5° | 120.0° |
| C5 | C4 | C3 | H6 | 120.5° | 119.9° |
| C5 | C4 | C3 | C2 | 177.7° | 175.0° |
| C5 | C4 | C3 | O3 | 53.1° | 65.1° |
| C5 | C4 | H7 | H6 | 118.4° | 120.0° |
| C4 | C5 | C6 | H8 | 0.4° | 0.2° |
| C5 | C4 | C3 | H5 | 65.9° | 54.9° |
| C5 | C6 | N1 | C7 | 179.6° | 180.0° |
| C5 | C6 | N1 | H8 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 25.7° | 124.9° |
| C6 | C5 | C4 | H7 | 94.9° | 115.1° |
| C6 | C5 | C4 | H6 | 146.2° | 5.0° |
| N1 | C7 | C10 | C8 | 121.8° | 118.6° |
| N1 | C7 | C10 | H9 | 121.1° | 122.6° |
| N1 | C7 | C8 | H9 | 120.6° | 122.6° |
| N1 | C7 | C10 | C9 | 153.5° | 118.6° |
| N1 | C7 | C10 | F1 | 43.5° | 0.0° |
| N1 | C7 | C8 | O2 | 150.7° | 142.7° |
| C7 | N1 | C6 | H8 | 0.5° | 0.1° |
| N1 | C7 | C8 | H11 | 31.4° | 23.8° |
| N1 | C7 | C8 | H10 | 90.0° | 98.6° |
| N1 | C7 | C10 | H14 | 87.0° | 122.7° |
| C6 | N1 | C7 | C10 | 67.5° | 85.0° |
| C6 | N1 | C7 | C8 | 51.5° | 29.7° |
| C6 | N1 | C7 | H9 | 171.6° | 152.4° |
| C10 | C7 | C8 | H9 | 117.5° | 118.7° |
| C7 | C10 | C9 | F1 | 116.3° | 118.6° |
| C7 | C10 | C9 | H14 | 120.0° | 118.7° |
| C7 | C10 | F1 | H14 | 129.3° | 122.7° |
| C7 | C10 | C9 | O2 | 23.7° | 24.0° |
| C10 | C7 | C8 | O2 | 28.8° | 24.0° |
| C10 | C7 | C8 | H11 | 90.4° | 94.8° |
| C10 | C7 | C8 | H10 | 148.1° | 142.8° |
| C7 | C10 | C9 | H13 | 95.9° | 142.8° |
| C7 | C10 | C9 | H12 | 143.3° | 94.9° |
| C8 | C7 | C10 | C9 | 31.7° | 0.0° |
| C8 | C7 | C10 | F1 | 78.4° | 118.6° |
| C7 | C8 | O2 | C9 | 13.1° | 40.6° |
| C7 | C8 | O2 | H11 | 119.3° | 118.8° |
| C7 | C8 | O2 | H10 | 119.3° | 118.8° |
| C7 | C8 | H11 | H10 | 122.1° | 122.4° |
| C8 | C7 | C10 | H14 | 151.2° | 118.7° |
| C4 | C3 | C2 | O1 | 51.8° | 57.6° |
| C4 | C3 | C2 | C14 | 68.1° | 62.3° |
| C4 | C3 | C2 | O3 | 126.1° | 119.9° |
| C4 | C3 | C2 | H5 | 116.3° | 120.1° |
| C4 | C3 | O3 | H5 | 118.6° | 120.0° |
| C4 | C3 | O3 | C11 | 66.4° | 58.8° |
| C3 | C4 | H7 | H6 | 118.4° | 120.0° |
| C4 | C3 | C2 | H4 | 172.1° | 177.7° |
| C9 | C10 | F1 | H14 | 121.7° | 122.7° |
| C10 | C9 | O2 | H13 | 119.6° | 118.8° |
| C10 | C9 | O2 | H12 | 119.6° | 118.9° |
| C10 | C9 | O2 | C8 | 6.5° | 40.6° |
| C9 | C10 | C7 | H9 | 85.4° | 118.8° |
| C10 | C9 | H13 | H12 | 121.2° | 122.3° |
| F1 | C10 | C9 | O2 | 92.6° | 142.6° |
| F1 | C10 | C7 | H9 | 164.5° | 122.6° |
| F1 | C10 | C9 | H13 | 147.8° | 98.6° |
| F1 | C10 | C9 | H12 | 27.0° | 23.7° |
| N6 | N5 | N4 | C14 | 177.4° | 179.7° |
| N6 | N5 | N4 | C22 | 1.6° | 0.3° |
| N5 | N6 | C15 | C22 | 1.7° | 0.4° |
| N5 | N6 | C15 | C16 | 177.8° | 179.8° |
| N4 | N5 | N6 | C15 | 0.2° | 0.5° |
| N5 | N4 | C14 | C22 | 174.4° | 179.9° |
| N5 | N4 | C14 | C2 | 118.8° | 95.0° |
| N5 | N4 | C14 | C13 | 120.1° | 145.5° |
| N5 | N4 | C22 | C15 | 2.6° | 0.0° |
| N5 | N4 | C22 | H24 | 177.4° | 180.0° |
| N5 | N4 | C14 | H21 | 2.0° | 25.4° |
| C1 | O1 | C2 | C14 | 161.6° | 150.1° |
| C1 | O1 | C2 | C3 | 76.3° | 90.2° |
| O1 | C1 | H2 | H3 | 120.0° | 119.9° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| C1 | O1 | C2 | H4 | 43.3° | 30.0° |
| O1 | C2 | C14 | N4 | 59.6° | 63.3° |
| O1 | C2 | C14 | C3 | 121.7° | 119.9° |
| O1 | C2 | C14 | H4 | 118.8° | 120.2° |
| O1 | C2 | C14 | C13 | 177.9° | 176.9° |
| O1 | C2 | C3 | H4 | 120.3° | 120.1° |
| O1 | C2 | C3 | O3 | 177.9° | 177.5° |
| C2 | O1 | C1 | H2 | 180.0° | 180.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| O1 | C2 | C3 | H5 | 64.5° | 62.5° |
| O1 | C2 | C14 | H21 | 61.7° | 57.0° |
| N6 | C15 | C22 | N4 | 2.6° | 0.3° |
| N6 | C15 | C16 | C17 | 21.1° | 0.3° |
| N6 | C15 | C22 | C16 | 179.5° | 179.7° |
| N6 | C15 | C16 | C21 | 157.2° | 179.6° |
| N6 | C15 | C22 | H24 | 177.4° | 179.7° |
| C9 | O2 | C8 | H11 | 106.2° | 78.3° |
| C9 | O2 | C8 | H10 | 132.4° | 159.4° |
| O2 | C9 | C10 | H14 | 143.7° | 94.6° |
| O2 | C9 | H13 | H12 | 121.1° | 122.3° |
| O2 | C8 | C7 | H9 | 88.7° | 94.7° |
| O2 | C8 | H11 | H10 | 122.1° | 122.3° |
| C8 | O2 | C9 | H13 | 113.1° | 159.4° |
| C8 | O2 | C9 | H12 | 126.2° | 78.3° |
| N4 | C14 | C2 | C13 | 122.5° | 119.8° |
| N4 | C14 | C2 | H21 | 121.2° | 120.3° |
| N4 | C14 | C13 | H21 | 119.0° | 120.1° |
| N4 | C14 | C2 | C3 | 178.7° | 176.8° |
| C14 | N4 | C22 | C15 | 177.1° | 179.9° |
| N4 | C14 | C13 | C11 | 179.8° | 176.9° |
| N4 | C14 | C13 | O5 | 58.4° | 57.0° |
| N4 | C14 | C13 | H19 | 61.8° | 63.2° |
| C14 | N4 | C22 | H24 | 2.9° | 0.1° |
| N4 | C14 | C2 | H4 | 59.3° | 56.9° |
| C2 | C14 | C13 | H21 | 116.8° | 120.0° |
| C14 | C2 | C3 | H4 | 119.7° | 120.0° |
| C14 | C2 | C3 | O3 | 58.0° | 57.6° |
| C2 | C14 | N4 | C22 | 55.6° | 85.0° |
| C2 | C14 | C13 | C11 | 55.5° | 57.0° |
| C2 | C14 | C13 | O5 | 65.8° | 62.9° |
| C2 | C14 | C13 | H19 | 173.9° | 177.0° |
| C14 | C2 | C3 | H5 | 175.6° | 177.6° |
| C13 | C14 | C2 | C3 | 56.2° | 57.0° |
| C13 | C14 | N4 | C22 | 65.5° | 34.6° |
| C14 | C13 | C11 | O3 | 56.8° | 57.6° |
| C14 | C13 | C11 | O5 | 122.1° | 119.9° |
| C14 | C13 | C11 | H19 | 118.2° | 119.9° |
| C14 | C13 | C11 | C12 | 179.2° | 177.6° |
| C14 | C13 | O5 | H19 | 119.2° | 120.1° |
| C13 | C14 | C2 | H4 | 63.3° | 63.0° |
| C14 | C13 | C11 | H15 | 61.8° | 62.3° |
| C14 | C13 | O5 | H20 | 180.0° | 179.8° |
| C2 | C3 | O3 | H5 | 117.1° | 120.0° |
| C2 | C3 | O3 | C11 | 58.0° | 61.1° |
| C2 | C3 | C4 | H7 | 57.2° | 65.0° |
| C2 | C3 | C4 | H6 | 61.7° | 55.1° |
| C3 | C2 | C14 | H21 | 60.0° | 62.9° |
| C3 | O3 | C11 | C13 | 58.1° | 61.1° |
| C3 | O3 | C11 | C12 | 177.1° | 178.9° |
| O3 | C3 | C4 | H7 | 67.4° | 54.9° |
| O3 | C3 | C4 | H6 | 173.7° | 175.0° |
| O3 | C3 | C2 | H4 | 61.8° | 62.4° |
| C3 | O3 | C11 | H15 | 59.8° | 58.9° |
| N4 | C22 | C15 | H24 | 180.0° | 180.0° |
| N4 | C22 | C15 | C16 | 176.9° | 180.0° |
| C22 | N4 | C14 | H21 | 176.4° | 154.7° |
| C18 | C17 | C16 | H22 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 179.8° | 180.0° |
| C17 | C18 | C19 | H23 | 180.0° | 180.0° |
| C18 | C17 | C16 | C21 | 1.5° | 0.1° |
| C17 | C18 | C19 | CL1 | 179.7° | 180.0° |
| C17 | C18 | C19 | C20 | 1.3° | 0.0° |
| C17 | C16 | C15 | C22 | 159.5° | 180.0° |
| C17 | C16 | C15 | C21 | 178.3° | 179.9° |
| C16 | C17 | C18 | C19 | 2.3° | 0.0° |
| C17 | C16 | C21 | C20 | 0.4° | 0.0° |
| C17 | C16 | C21 | F3 | 176.6° | 180.0° |
| C16 | C17 | C18 | H23 | 177.7° | 180.0° |
| C22 | C15 | C16 | C21 | 22.2° | 0.1° |
| C15 | C16 | C21 | C20 | 177.9° | 180.0° |
| C15 | C16 | C21 | F3 | 1.6° | 0.1° |
| C15 | C16 | C17 | H22 | 0.2° | 0.3° |
| C16 | C15 | C22 | H24 | 3.1° | 0.0° |
| O3 | C11 | C13 | C12 | 124.0° | 119.9° |
| O3 | C11 | C13 | H15 | 118.6° | 120.0° |
| O3 | C11 | C12 | H15 | 118.1° | 120.0° |
| O3 | C11 | C13 | O5 | 65.3° | 62.3° |
| O3 | C11 | C12 | O4 | 58.1° | 65.0° |
| O3 | C11 | C13 | H19 | 175.0° | 177.6° |
| C11 | O3 | C3 | H5 | 175.1° | 178.9° |
| O3 | C11 | C12 | H16 | 178.3° | 175.0° |
| O3 | C11 | C12 | H17 | 62.0° | 55.0° |
| C13 | C11 | C12 | H15 | 117.6° | 120.0° |
| C11 | C13 | O5 | H19 | 118.8° | 120.1° |
| C13 | C11 | C12 | O4 | 177.6° | 175.1° |
| C13 | C11 | C12 | H16 | 57.4° | 55.1° |
| C13 | C11 | C12 | H17 | 62.3° | 64.9° |
| C11 | C13 | O5 | H20 | 58.0° | 60.1° |
| C11 | C13 | C14 | H21 | 61.2° | 63.0° |
| C12 | C11 | C13 | O5 | 58.6° | 57.7° |
| C11 | C12 | O4 | H16 | 120.1° | 120.0° |
| C11 | C12 | O4 | H17 | 120.1° | 120.1° |
| C12 | C11 | C13 | H19 | 61.1° | 62.5° |
| C11 | C12 | H16 | H17 | 119.6° | 120.0° |
| C11 | C12 | O4 | H18 | 180.0° | 180.0° |
| O5 | C13 | C11 | H15 | 176.1° | 177.7° |
| O5 | C13 | C14 | H21 | 177.4° | 177.1° |
| C18 | C19 | CL1 | C20 | 179.1° | 179.9° |
| C18 | C19 | C20 | C21 | 0.6° | 0.1° |
| C18 | C19 | C20 | F2 | 179.6° | 180.0° |
| C19 | C18 | C17 | H22 | 177.7° | 179.7° |
| C16 | C21 | C20 | C19 | 1.4° | 0.0° |
| C16 | C21 | C20 | F3 | 176.3° | 179.9° |
| C16 | C21 | C20 | F2 | 179.5° | 179.9° |
| C21 | C16 | C17 | H22 | 178.5° | 179.8° |
| O4 | C12 | C11 | H15 | 60.0° | 55.0° |
| O4 | C12 | H16 | H17 | 119.6° | 119.9° |
| CL1 | C19 | C20 | C21 | 178.5° | 180.0° |
| CL1 | C19 | C20 | F2 | 0.6° | 0.1° |
| CL1 | C19 | C18 | H23 | 0.4° | 0.1° |
| C19 | C20 | C21 | F2 | 179.1° | 179.9° |
| C19 | C20 | C21 | F3 | 177.6° | 179.9° |
| C20 | C19 | C18 | H23 | 178.7° | 180.0° |
| F3 | C21 | C20 | F2 | 3.2° | 0.0° |
| H7 | C4 | C3 | H5 | 173.5° | 174.9° |
| H6 | C4 | C3 | H5 | 54.6° | 65.0° |
| H9 | C7 | C8 | H11 | 152.0° | 146.4° |
| H9 | C7 | C8 | H10 | 30.6° | 24.0° |
| H9 | C7 | C10 | H14 | 34.1° | 0.1° |
| H14 | C10 | C9 | H13 | 24.1° | 24.2° |
| H14 | C10 | C9 | H12 | 96.6° | 146.5° |
| H19 | C13 | C11 | H15 | 56.4° | 57.6° |
| H19 | C13 | O5 | H20 | 60.9° | 60.0° |
| H19 | C13 | C14 | H21 | 57.2° | 57.0° |
| H22 | C17 | C18 | H23 | 2.3° | 0.3° |
| H2 | C1 | H3 | H1 | 120.0° | 120.1° |
| H4 | C2 | C3 | H5 | 55.8° | 57.6° |
| H4 | C2 | C14 | H21 | 179.5° | 177.1° |
| H15 | C11 | C12 | H16 | 60.1° | 65.0° |
| H15 | C11 | C12 | H17 | 179.9° | 175.0° |
| H16 | C12 | O4 | H18 | 59.8° | 59.9° |
| H17 | C12 | O4 | H18 | 59.9° | 60.0° |
