A1H2T
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 | 1.36Å | Aromatic |
| N2 | N1 | sing | 1.29Å | 1.30Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.35Å | 1.38Å | Aromatic |
| N1 | C7 | sing | 1.47Å | 1.48Å | |
| N1 | C6 | sing | 1.35Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C7 | C11 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | F1 | sing | 1.40Å | 1.37Å | |
| C10 | O2 | sing | 1.43Å | 1.43Å | |
| N5 | N6 | doub | 1.29Å | 1.31Å | Aromatic |
| N5 | N4 | sing | 1.29Å | 1.30Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| N6 | C16 | sing | 1.34Å | 1.35Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C15 | C2 | sing | 1.53Å | 1.53Å | |
| C15 | N4 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| N4 | C23 | sing | 1.35Å | 1.33Å | Aromatic |
| C9 | O2 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C23 | doub | 1.37Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.49Å | |
| C12 | O3 | sing | 1.43Å | 1.45Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | O5 | sing | 1.43Å | 1.44Å | |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| O4 | C13 | sing | 1.43Å | 1.43Å | |
| C17 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | CL1 | sing | 1.74Å | 1.80Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | F3 | sing | 1.35Å | 1.39Å | |
| C21 | F2 | sing | 1.35Å | 1.39Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| O4 | H21 | sing | 0.97Å | 0.95Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| O5 | H23 | sing | 0.97Å | 0.95Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | N3 | C5 | 109.0° | 108.9° |
| N3 | N2 | N1 | 107.5° | 110.2° |
| N3 | C5 | C4 | 125.6° | 126.7° |
| N3 | C5 | C6 | 106.8° | 106.5° |
| N2 | N1 | C7 | 114.8° | 125.8° |
| N2 | N1 | C6 | 112.0° | 108.3° |
| C4 | C5 | C6 | 127.6° | 126.8° |
| C5 | C4 | C3 | 113.8° | 109.5° |
| C5 | C4 | H1 | 108.4° | 109.5° |
| C5 | C4 | H2 | 108.4° | 109.5° |
| C5 | C6 | N1 | 104.7° | 106.2° |
| C5 | C6 | H3 | 127.6° | 126.9° |
| C7 | N1 | C6 | 133.2° | 125.9° |
| N1 | C7 | C11 | 110.0° | 109.6° |
| N1 | C7 | C8 | 110.4° | 109.5° |
| N1 | C7 | H4 | 108.7° | 109.5° |
| N1 | C6 | H3 | 127.7° | 126.9° |
| C4 | C3 | C2 | 111.0° | 109.5° |
| C4 | C3 | O3 | 111.5° | 109.4° |
| C3 | C4 | H1 | 108.3° | 109.5° |
| C3 | C4 | H2 | 108.4° | 109.5° |
| C4 | C3 | H16 | 108.0° | 109.5° |
| C11 | C7 | C8 | 111.3° | 109.0° |
| C7 | C11 | C10 | 110.4° | 109.2° |
| C7 | C11 | F1 | 108.9° | 109.5° |
| C11 | C7 | H4 | 108.2° | 109.5° |
| C7 | C11 | H19 | 108.6° | 109.5° |
| C7 | C8 | C9 | 110.9° | 109.1° |
| C8 | C7 | H4 | 108.1° | 109.6° |
| C7 | C8 | H5 | 109.1° | 109.5° |
| C7 | C8 | H6 | 109.1° | 109.5° |
| C10 | C11 | F1 | 109.7° | 109.5° |
| C11 | C10 | O2 | 109.7° | 109.4° |
| C11 | C10 | H7 | 109.4° | 109.5° |
| C11 | C10 | H8 | 109.4° | 109.5° |
| C10 | C11 | H19 | 108.5° | 109.6° |
| F1 | C11 | H19 | 110.8° | 109.6° |
| C10 | O2 | C9 | 115.8° | 114.1° |
| O2 | C10 | H7 | 109.4° | 109.5° |
| O2 | C10 | H8 | 109.4° | 109.5° |
| N6 | N5 | N4 | 107.6° | 110.5° |
| N5 | N6 | C16 | 108.7° | 108.8° |
| N5 | N4 | C15 | 114.0° | 125.8° |
| N5 | N4 | C23 | 112.2° | 108.5° |
| C1 | O1 | C2 | 112.9° | 114.0° |
| O1 | C1 | H12 | 109.5° | 109.5° |
| O1 | C1 | H13 | 109.5° | 109.5° |
| O1 | C1 | H14 | 109.4° | 109.4° |
| O1 | C2 | C3 | 110.5° | 109.6° |
| O1 | C2 | C15 | 109.9° | 109.5° |
| O1 | C2 | H15 | 109.3° | 109.5° |
| N6 | C16 | C23 | 107.5° | 106.2° |
| N6 | C16 | C17 | 125.0° | 126.9° |
| C8 | C9 | O2 | 110.0° | 109.4° |
| C9 | C8 | H5 | 109.1° | 109.5° |
| C9 | C8 | H6 | 109.1° | 109.5° |
| C8 | C9 | H17 | 109.4° | 109.5° |
| C8 | C9 | H18 | 109.3° | 109.5° |
| C2 | C3 | O3 | 108.9° | 109.5° |
| C3 | C2 | C15 | 111.0° | 109.2° |
| C3 | C2 | H15 | 107.9° | 109.6° |
| C2 | C3 | H16 | 108.0° | 109.5° |
| C3 | O3 | C12 | 117.7° | 114.1° |
| O3 | C3 | H16 | 109.3° | 109.5° |
| C2 | C15 | N4 | 111.8° | 109.5° |
| C2 | C15 | C14 | 111.3° | 109.1° |
| C2 | C15 | H11 | 106.8° | 109.5° |
| C15 | C2 | H15 | 108.1° | 109.5° |
| N4 | C15 | C14 | 112.4° | 109.6° |
| C15 | N4 | C23 | 133.8° | 125.7° |
| N4 | C15 | H11 | 107.4° | 109.5° |
| C15 | C14 | C12 | 109.6° | 109.2° |
| C15 | C14 | O5 | 109.7° | 109.5° |
| C14 | C15 | H11 | 106.8° | 109.6° |
| C15 | C14 | H22 | 108.6° | 109.5° |
| N4 | C23 | C16 | 104.0° | 106.0° |
| N4 | C23 | H26 | 128.0° | 127.0° |
| O2 | C9 | H17 | 109.4° | 109.4° |
| O2 | C9 | H18 | 109.3° | 109.5° |
| C19 | C18 | C17 | 119.9° | 119.9° |
| C18 | C19 | C20 | 120.0° | 120.2° |
| C19 | C18 | H24 | 120.1° | 120.0° |
| C18 | C19 | H25 | 120.0° | 119.9° |
| C18 | C17 | C16 | 118.9° | 120.1° |
| C18 | C17 | C22 | 120.3° | 119.8° |
| C17 | C18 | H24 | 120.0° | 120.0° |
| C23 | C16 | C17 | 127.5° | 126.9° |
| C16 | C23 | H26 | 128.0° | 126.9° |
| C16 | C17 | C22 | 120.8° | 120.1° |
| O3 | C12 | C14 | 110.5° | 109.4° |
| O3 | C12 | C13 | 110.0° | 109.5° |
| O3 | C12 | H20 | 108.7° | 109.5° |
| C14 | C12 | C13 | 112.2° | 109.5° |
| C12 | C14 | O5 | 110.3° | 109.5° |
| C14 | C12 | H20 | 107.6° | 109.4° |
| C12 | C14 | H22 | 108.6° | 109.5° |
| C12 | C13 | O4 | 108.8° | 109.5° |
| C12 | C13 | H9 | 109.6° | 109.5° |
| C12 | C13 | H10 | 109.7° | 109.5° |
| C13 | C12 | H20 | 107.7° | 109.5° |
| O5 | C14 | H22 | 109.9° | 109.6° |
| C14 | O5 | H23 | 109.5° | 114.0° |
| C19 | C20 | CL1 | 118.8° | 119.9° |
| C19 | C20 | C21 | 120.2° | 120.2° |
| C20 | C19 | H25 | 120.0° | 119.9° |
| O4 | C13 | H9 | 109.6° | 109.4° |
| O4 | C13 | H10 | 109.6° | 109.5° |
| C13 | O4 | H21 | 109.5° | 114.0° |
| C17 | C22 | C21 | 119.7° | 119.8° |
| C17 | C22 | F3 | 121.3° | 120.1° |
| CL1 | C20 | C21 | 121.0° | 119.9° |
| C20 | C21 | C22 | 119.9° | 120.1° |
| C20 | C21 | F2 | 122.1° | 120.0° |
| C21 | C22 | F3 | 119.0° | 120.1° |
| C22 | C21 | F2 | 118.0° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H5 | C8 | H6 | 109.5° | 109.6° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.5° | 109.4° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | N3 | C5 | C4 | 179.4° | 180.0° |
| N2 | N3 | C5 | C6 | 0.4° | 0.1° |
| N3 | N2 | N1 | C7 | 179.8° | 180.0° |
| N3 | N2 | N1 | C6 | 0.5° | 0.3° |
| C5 | N3 | N2 | N1 | 0.0° | 0.1° |
| N3 | C5 | C4 | C6 | 178.8° | 180.0° |
| N3 | C5 | C6 | N1 | 0.6° | 0.2° |
| N3 | C5 | C4 | C3 | 149.0° | 55.0° |
| N3 | C5 | C4 | H1 | 90.4° | 65.0° |
| N3 | C5 | C4 | H2 | 28.4° | 175.1° |
| N3 | C5 | C6 | H3 | 179.4° | 179.8° |
| N2 | N1 | C6 | C5 | 0.7° | 0.3° |
| N2 | N1 | C7 | C6 | 179.2° | 179.7° |
| N2 | N1 | C7 | C11 | 106.8° | 95.3° |
| N2 | N1 | C7 | C8 | 130.0° | 145.1° |
| N2 | N1 | C6 | H3 | 179.3° | 179.7° |
| N2 | N1 | C7 | H4 | 11.5° | 24.9° |
| C4 | C5 | C6 | N1 | 179.6° | 179.8° |
| C5 | C4 | C3 | H1 | 120.6° | 120.0° |
| C5 | C4 | C3 | H2 | 120.6° | 120.1° |
| C5 | C4 | C3 | C2 | 178.8° | 175.0° |
| C5 | C4 | C3 | O3 | 59.6° | 65.0° |
| C5 | C4 | H1 | H2 | 118.0° | 120.0° |
| C4 | C5 | C6 | H3 | 0.4° | 0.2° |
| C5 | C4 | C3 | H16 | 60.5° | 54.9° |
| C5 | C6 | N1 | C7 | 179.9° | 180.0° |
| C5 | C6 | N1 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 32.2° | 125.0° |
| C6 | C5 | C4 | H1 | 88.4° | 115.0° |
| C6 | C5 | C4 | H2 | 152.8° | 4.9° |
| N1 | C7 | C11 | C8 | 122.7° | 119.8° |
| N1 | C7 | C11 | H4 | 118.6° | 120.2° |
| N1 | C7 | C8 | H4 | 118.8° | 120.2° |
| N1 | C7 | C11 | C10 | 175.6° | 176.8° |
| N1 | C7 | C11 | F1 | 55.2° | 56.9° |
| N1 | C7 | C8 | C9 | 174.6° | 176.9° |
| C7 | N1 | C6 | H3 | 0.1° | 0.0° |
| N1 | C7 | C8 | H5 | 54.5° | 57.0° |
| N1 | C7 | C8 | H6 | 65.2° | 63.3° |
| N1 | C7 | C11 | H19 | 65.5° | 63.2° |
| C6 | N1 | C7 | C11 | 72.4° | 85.0° |
| C6 | N1 | C7 | C8 | 50.8° | 34.5° |
| C6 | N1 | C7 | H4 | 169.3° | 154.8° |
| C4 | C3 | C2 | O1 | 52.1° | 57.5° |
| C4 | C3 | C2 | O3 | 123.2° | 120.0° |
| C4 | C3 | C2 | H16 | 118.2° | 120.0° |
| C4 | C3 | O3 | H16 | 119.4° | 120.0° |
| C4 | C3 | C2 | C15 | 70.1° | 62.4° |
| C4 | C3 | O3 | C12 | 66.9° | 58.9° |
| C3 | C4 | H1 | H2 | 118.0° | 120.0° |
| C4 | C3 | C2 | H15 | 171.6° | 177.7° |
| C11 | C7 | C8 | H4 | 118.7° | 119.9° |
| C7 | C11 | C10 | F1 | 120.0° | 119.9° |
| C7 | C11 | C10 | H19 | 118.9° | 119.9° |
| C7 | C11 | F1 | H19 | 119.3° | 120.1° |
| C7 | C11 | C10 | O2 | 54.6° | 57.6° |
| C11 | C7 | C8 | C9 | 52.1° | 57.0° |
| C11 | C7 | C8 | H5 | 68.0° | 62.9° |
| C11 | C7 | C8 | H6 | 172.3° | 176.9° |
| C7 | C11 | C10 | H7 | 65.4° | 177.6° |
| C7 | C11 | C10 | H8 | 174.6° | 62.4° |
| C8 | C7 | C11 | C10 | 52.9° | 57.0° |
| C8 | C7 | C11 | F1 | 67.6° | 62.9° |
| C7 | C8 | C9 | H5 | 120.2° | 119.9° |
| C7 | C8 | C9 | H6 | 120.2° | 119.9° |
| C7 | C8 | C9 | O2 | 52.9° | 57.7° |
| C7 | C8 | H5 | H6 | 119.4° | 120.2° |
| C7 | C8 | C9 | H17 | 173.0° | 177.6° |
| C7 | C8 | C9 | H18 | 67.1° | 62.4° |
| C8 | C7 | C11 | H19 | 171.7° | 176.9° |
| C10 | C11 | F1 | H19 | 119.8° | 120.2° |
| C11 | C10 | O2 | H7 | 120.1° | 120.0° |
| C11 | C10 | O2 | H8 | 120.0° | 120.0° |
| C11 | C10 | O2 | C9 | 59.6° | 61.2° |
| C10 | C11 | C7 | H4 | 65.8° | 63.0° |
| C11 | C10 | H7 | H8 | 119.9° | 120.0° |
| F1 | C11 | C10 | O2 | 65.3° | 62.3° |
| F1 | C11 | C7 | H4 | 173.8° | 177.1° |
| F1 | C11 | C10 | H7 | 174.6° | 57.7° |
| F1 | C11 | C10 | H8 | 54.7° | 177.8° |
| C10 | O2 | C9 | C8 | 58.7° | 61.2° |
| O2 | C10 | H7 | H8 | 119.9° | 120.0° |
| C10 | O2 | C9 | H17 | 178.8° | 178.9° |
| C10 | O2 | C9 | H18 | 61.3° | 58.8° |
| O2 | C10 | C11 | H19 | 173.5° | 177.5° |
| N6 | N5 | N4 | C15 | 179.7° | 180.0° |
| N6 | N5 | N4 | C23 | 0.6° | 0.2° |
| N5 | N6 | C16 | C23 | 0.6° | 0.3° |
| N5 | N6 | C16 | C17 | 178.8° | 180.0° |
| N4 | N5 | N6 | C16 | 0.0° | 0.0° |
| N5 | N4 | C15 | C2 | 116.8° | 94.7° |
| N5 | N4 | C15 | C23 | 179.5° | 179.7° |
| N5 | N4 | C15 | C14 | 117.2° | 145.7° |
| N5 | N4 | C23 | C16 | 1.0° | 0.4° |
| N5 | N4 | C15 | H11 | 0.1° | 25.5° |
| N5 | N4 | C23 | H26 | 179.0° | 179.8° |
| C1 | O1 | C2 | C3 | 88.4° | 90.3° |
| C1 | O1 | C2 | C15 | 148.7° | 150.0° |
| O1 | C1 | H12 | H13 | 120.0° | 120.0° |
| O1 | C1 | H12 | H14 | 120.0° | 120.0° |
| O1 | C1 | H13 | H14 | 120.0° | 120.0° |
| C1 | O1 | C2 | H15 | 30.2° | 29.9° |
| O1 | C2 | C3 | C15 | 122.2° | 119.9° |
| O1 | C2 | C3 | H15 | 119.5° | 120.2° |
| O1 | C2 | C3 | O3 | 175.3° | 177.5° |
| O1 | C2 | C15 | H15 | 119.3° | 120.1° |
| O1 | C2 | C15 | N4 | 55.6° | 63.2° |
| O1 | C2 | C15 | C14 | 177.8° | 176.9° |
| O1 | C2 | C15 | H11 | 61.6° | 56.9° |
| C2 | O1 | C1 | H12 | 180.0° | 180.0° |
| C2 | O1 | C1 | H13 | 60.0° | 60.0° |
| C2 | O1 | C1 | H14 | 60.0° | 60.0° |
| O1 | C2 | C3 | H16 | 66.1° | 62.5° |
| N6 | C16 | C23 | N4 | 0.9° | 0.4° |
| N6 | C16 | C17 | C18 | 25.8° | 179.7° |
| N6 | C16 | C23 | C17 | 178.1° | 179.7° |
| N6 | C16 | C17 | C22 | 154.5° | 0.0° |
| N6 | C16 | C23 | H26 | 179.1° | 179.8° |
| C8 | C9 | O2 | H17 | 120.1° | 119.9° |
| C8 | C9 | O2 | H18 | 120.0° | 120.0° |
| C9 | C8 | C7 | H4 | 66.5° | 62.9° |
| C9 | C8 | H5 | H6 | 119.3° | 120.2° |
| C8 | C9 | H17 | H18 | 119.8° | 120.0° |
| C2 | C3 | O3 | H16 | 117.8° | 120.0° |
| C3 | C2 | C15 | H15 | 118.2° | 119.9° |
| C3 | C2 | C15 | N4 | 178.2° | 176.8° |
| C3 | C2 | C15 | C14 | 55.2° | 56.9° |
| C2 | C3 | O3 | C12 | 55.9° | 61.1° |
| C2 | C3 | C4 | H1 | 60.6° | 65.0° |
| C2 | C3 | C4 | H2 | 58.1° | 54.9° |
| C3 | C2 | C15 | H11 | 61.0° | 63.1° |
| O3 | C3 | C2 | C15 | 53.1° | 57.5° |
| C3 | O3 | C12 | C14 | 56.6° | 61.1° |
| C3 | O3 | C12 | C13 | 178.9° | 178.9° |
| O3 | C3 | C4 | H1 | 61.0° | 55.0° |
| O3 | C3 | C4 | H2 | 179.8° | 174.9° |
| O3 | C3 | C2 | H15 | 65.2° | 62.3° |
| C3 | O3 | C12 | H20 | 61.3° | 58.8° |
| C2 | C15 | N4 | C14 | 126.1° | 119.6° |
| C2 | C15 | N4 | H11 | 116.8° | 120.1° |
| C2 | C15 | C14 | H11 | 116.2° | 119.9° |
| C2 | C15 | N4 | C23 | 62.8° | 85.0° |
| C2 | C15 | C14 | C12 | 54.4° | 57.0° |
| C2 | C15 | C14 | O5 | 66.9° | 62.9° |
| C15 | C2 | C3 | H16 | 171.7° | 177.6° |
| C2 | C15 | C14 | H22 | 173.0° | 176.9° |
| N4 | C15 | C14 | H11 | 117.5° | 120.2° |
| C15 | N4 | C23 | C16 | 179.5° | 179.8° |
| N4 | C15 | C14 | C12 | 179.3° | 176.8° |
| N4 | C15 | C14 | O5 | 59.4° | 57.0° |
| N4 | C15 | C2 | H15 | 63.7° | 56.9° |
| N4 | C15 | C14 | H22 | 60.7° | 63.2° |
| C15 | N4 | C23 | H26 | 0.5° | 0.0° |
| C14 | C15 | N4 | C23 | 63.3° | 34.6° |
| C15 | C14 | C12 | O3 | 52.8° | 57.6° |
| C15 | C14 | C12 | O5 | 121.0° | 119.9° |
| C15 | C14 | C12 | H22 | 118.6° | 119.9° |
| C15 | C14 | C12 | C13 | 176.0° | 177.6° |
| C15 | C14 | O5 | H22 | 119.3° | 120.2° |
| C14 | C15 | C2 | H15 | 63.0° | 63.0° |
| C15 | C14 | C12 | H20 | 65.7° | 62.4° |
| C15 | C14 | O5 | H23 | 180.0° | 180.0° |
| N4 | C23 | C16 | H26 | 180.0° | 179.8° |
| N4 | C23 | C16 | C17 | 179.1° | 179.9° |
| C23 | N4 | C15 | H11 | 179.6° | 154.8° |
| O2 | C9 | C8 | H5 | 67.3° | 62.2° |
| O2 | C9 | C8 | H6 | 173.1° | 177.5° |
| C9 | O2 | C10 | H7 | 60.4° | 178.8° |
| C9 | O2 | C10 | H8 | 179.6° | 58.8° |
| O2 | C9 | H17 | H18 | 119.8° | 120.1° |
| C19 | C18 | C17 | H24 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 179.7° | 179.7° |
| C18 | C19 | C20 | H25 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 0.0° | 0.0° |
| C18 | C19 | C20 | CL1 | 179.7° | 179.7° |
| C18 | C19 | C20 | C21 | 0.1° | 0.2° |
| C18 | C17 | C16 | C23 | 152.0° | 0.7° |
| C18 | C17 | C16 | C22 | 179.7° | 179.6° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C22 | C21 | 0.1° | 0.3° |
| C18 | C17 | C22 | F3 | 180.0° | 179.7° |
| C17 | C18 | C19 | H25 | 179.9° | 180.0° |
| C23 | C16 | C17 | C22 | 27.7° | 179.7° |
| C16 | C17 | C22 | C21 | 179.8° | 180.0° |
| C16 | C17 | C22 | F3 | 0.3° | 0.1° |
| C16 | C17 | C18 | H24 | 0.3° | 0.3° |
| C17 | C16 | C23 | H26 | 0.9° | 0.1° |
| O3 | C12 | C14 | C13 | 123.1° | 120.0° |
| O3 | C12 | C14 | H20 | 118.6° | 119.9° |
| O3 | C12 | C13 | H20 | 118.3° | 120.1° |
| O3 | C12 | C14 | O5 | 68.1° | 62.3° |
| O3 | C12 | C13 | O4 | 66.4° | 65.0° |
| O3 | C12 | C13 | H9 | 173.7° | 175.0° |
| O3 | C12 | C13 | H10 | 53.5° | 55.0° |
| C12 | O3 | C3 | H16 | 173.7° | 178.8° |
| O3 | C12 | C14 | H22 | 171.4° | 177.5° |
| C14 | C12 | C13 | H20 | 118.2° | 120.0° |
| C12 | C14 | O5 | H22 | 119.8° | 120.2° |
| C14 | C12 | C13 | O4 | 170.1° | 175.0° |
| C14 | C12 | C13 | H9 | 50.2° | 55.1° |
| C14 | C12 | C13 | H10 | 70.0° | 65.0° |
| C12 | C14 | C15 | H11 | 61.8° | 63.0° |
| C12 | C14 | O5 | H23 | 59.1° | 60.3° |
| C13 | C12 | C14 | O5 | 55.0° | 57.7° |
| C12 | C13 | O4 | H9 | 119.9° | 120.0° |
| C12 | C13 | O4 | H10 | 119.9° | 120.0° |
| C12 | C13 | H9 | H10 | 120.3° | 120.0° |
| C12 | C13 | O4 | H21 | 180.0° | 179.9° |
| C13 | C12 | C14 | H22 | 65.5° | 62.5° |
| O5 | C14 | C15 | H11 | 176.9° | 177.1° |
| O5 | C14 | C12 | H20 | 173.3° | 177.7° |
| C19 | C20 | CL1 | C21 | 179.6° | 179.5° |
| C19 | C20 | C21 | C22 | 0.0° | 0.5° |
| C19 | C20 | C21 | F2 | 179.8° | 179.4° |
| C20 | C19 | C18 | H24 | 179.9° | 180.0° |
| O4 | C13 | H9 | H10 | 120.3° | 120.0° |
| O4 | C13 | C12 | H20 | 51.9° | 55.1° |
| C17 | C22 | C21 | C20 | 0.1° | 0.6° |
| C17 | C22 | C21 | F3 | 179.9° | 180.0° |
| C17 | C22 | C21 | F2 | 179.7° | 179.4° |
| C22 | C17 | C18 | H24 | 180.0° | 180.0° |
| CL1 | C20 | C21 | C22 | 179.6° | 180.0° |
| CL1 | C20 | C21 | F2 | 0.6° | 0.1° |
| CL1 | C20 | C19 | H25 | 0.3° | 0.2° |
| C20 | C21 | C22 | F2 | 179.7° | 179.9° |
| C20 | C21 | C22 | F3 | 180.0° | 179.5° |
| C21 | C20 | C19 | H25 | 179.9° | 179.7° |
| F3 | C22 | C21 | F2 | 0.2° | 0.6° |
| H1 | C4 | C3 | H16 | 178.9° | 174.9° |
| H2 | C4 | C3 | H16 | 60.1° | 65.1° |
| H4 | C7 | C8 | H5 | 173.3° | 177.2° |
| H4 | C7 | C8 | H6 | 53.7° | 56.9° |
| H4 | C7 | C11 | H19 | 53.1° | 56.9° |
| H5 | C8 | C9 | H17 | 52.8° | 57.7° |
| H5 | C8 | C9 | H18 | 172.7° | 177.7° |
| H6 | C8 | C9 | H17 | 66.8° | 62.5° |
| H6 | C8 | C9 | H18 | 53.1° | 57.5° |
| H7 | C10 | C11 | H19 | 53.5° | 62.5° |
| H8 | C10 | C11 | H19 | 66.5° | 57.5° |
| H9 | C13 | C12 | H20 | 68.0° | 64.9° |
| H9 | C13 | O4 | H21 | 60.1° | 60.1° |
| H10 | C13 | C12 | H20 | 171.8° | 175.1° |
| H10 | C13 | O4 | H21 | 60.1° | 59.9° |
| H11 | C15 | C2 | H15 | 179.2° | 177.0° |
| H11 | C15 | C14 | H22 | 56.8° | 57.0° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H15 | C2 | C3 | H16 | 53.4° | 57.7° |
| H20 | C12 | C14 | H22 | 52.8° | 57.6° |
| H22 | C14 | O5 | H23 | 60.6° | 59.8° |
| H24 | C18 | C19 | H25 | 0.1° | 0.0° |
