A1H2M
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 |
| C9 | C7 | sing | 1.54Å | 1.49Å | |
| C9 | O2 | sing | 1.44Å | 1.47Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.35Å | 1.39Å | Aromatic |
| N1 | C7 | sing | 1.47Å | 1.50Å | |
| N1 | C6 | sing | 1.35Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | F1 | sing | 1.40Å | 1.36Å | |
| C7 | C10 | sing | 1.54Å | 1.48Å | |
| N5 | N6 | doub | 1.29Å | 1.31Å | Aromatic |
| N5 | N4 | sing | 1.29Å | 1.31Å | Aromatic |
| N6 | C15 | sing | 1.35Å | 1.35Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| O2 | C10 | sing | 1.44Å | 1.47Å | |
| C14 | N4 | sing | 1.46Å | 1.44Å | |
| C14 | C2 | sing | 1.53Å | 1.49Å | |
| 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 | 1.32Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.48Å | 1.48Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | O3 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | O5 | sing | 1.43Å | 1.44Å | |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| O4 | C12 | sing | 1.43Å | 1.43Å | |
| C19 | CL1 | sing | 1.74Å | 1.80Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | F3 | sing | 1.35Å | 1.39Å | |
| C20 | F2 | sing | 1.35Å | 1.39Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | 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 | H11 | 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 | 110.3° | 108.9° |
| N3 | N2 | N1 | 106.3° | 110.2° |
| N3 | C5 | C4 | 123.1° | 126.7° |
| N3 | C5 | C6 | 105.7° | 106.5° |
| N2 | N1 | C7 | 121.6° | 125.9° |
| N2 | N1 | C6 | 113.0° | 108.3° |
| C7 | C9 | O2 | 88.9° | 85.5° |
| C9 | C7 | N1 | 114.9° | 113.8° |
| C9 | C7 | C8 | 112.2° | 113.9° |
| C9 | C7 | C10 | 90.3° | 85.8° |
| C7 | C9 | H12 | 114.3° | 113.9° |
| C7 | C9 | H11 | 114.3° | 113.8° |
| C9 | O2 | C10 | 91.6° | 93.4° |
| O2 | C9 | H12 | 114.3° | 113.9° |
| O2 | C9 | H11 | 114.3° | 113.9° |
| C4 | C5 | C6 | 131.1° | 126.8° |
| C5 | C4 | C3 | 115.2° | 109.4° |
| C5 | C4 | H7 | 108.0° | 109.5° |
| C5 | C4 | H6 | 108.0° | 109.5° |
| C5 | C6 | N1 | 104.6° | 106.2° |
| C5 | C6 | H8 | 127.7° | 126.9° |
| C7 | N1 | C6 | 125.2° | 125.9° |
| N1 | C7 | C8 | 110.2° | 113.0° |
| N1 | C7 | C10 | 116.0° | 113.8° |
| N1 | C6 | H8 | 127.7° | 126.9° |
| C4 | C3 | C2 | 111.4° | 109.5° |
| C4 | C3 | O3 | 111.5° | 109.5° |
| C3 | C4 | H7 | 108.0° | 109.5° |
| C3 | C4 | H6 | 108.0° | 109.5° |
| C4 | C3 | H5 | 107.9° | 109.5° |
| C7 | C8 | F1 | 109.8° | 109.5° |
| C8 | C7 | C10 | 112.0° | 113.9° |
| C7 | C8 | H9 | 109.4° | 109.4° |
| C7 | C8 | H10 | 109.4° | 109.4° |
| F1 | C8 | H9 | 109.4° | 109.5° |
| F1 | C8 | H10 | 109.4° | 109.5° |
| C7 | C10 | O2 | 89.2° | 85.5° |
| C7 | C10 | H13 | 114.3° | 113.9° |
| C7 | C10 | H14 | 114.3° | 113.9° |
| N6 | N5 | N4 | 108.1° | 110.5° |
| N5 | N6 | C15 | 108.7° | 108.8° |
| N5 | N4 | C14 | 114.6° | 125.7° |
| N5 | N4 | C22 | 111.2° | 108.5° |
| N6 | C15 | C22 | 106.8° | 106.2° |
| N6 | C15 | C16 | 123.1° | 126.9° |
| C1 | O1 | C2 | 115.3° | 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 | 108.3° | 109.6° |
| O1 | C2 | C3 | 110.4° | 109.5° |
| O1 | C2 | H4 | 109.5° | 109.6° |
| O2 | C10 | H13 | 114.3° | 113.8° |
| O2 | C10 | H14 | 114.3° | 114.0° |
| N4 | C14 | C2 | 112.9° | 109.5° |
| N4 | C14 | C13 | 108.5° | 109.6° |
| C14 | N4 | C22 | 134.0° | 125.8° |
| N4 | C14 | H21 | 109.9° | 109.5° |
| C2 | C14 | C13 | 107.5° | 109.1° |
| C14 | C2 | C3 | 112.0° | 109.2° |
| C14 | C2 | H4 | 108.7° | 109.5° |
| C2 | C14 | H21 | 109.3° | 109.6° |
| C14 | C13 | C11 | 110.0° | 109.2° |
| C14 | C13 | O5 | 111.0° | 109.5° |
| C14 | C13 | H19 | 108.4° | 109.5° |
| C13 | C14 | H21 | 108.6° | 109.5° |
| C2 | C3 | O3 | 109.0° | 109.4° |
| C3 | C2 | H4 | 108.0° | 109.5° |
| C2 | C3 | H5 | 107.8° | 109.5° |
| C3 | O3 | C11 | 116.0° | 114.1° |
| O3 | C3 | H5 | 109.2° | 109.5° |
| N4 | C22 | C15 | 105.1° | 106.0° |
| N4 | C22 | H24 | 127.5° | 127.0° |
| C18 | C17 | C16 | 120.2° | 119.9° |
| C17 | C18 | C19 | 119.9° | 120.2° |
| C18 | C17 | H22 | 119.9° | 120.0° |
| C17 | C18 | H23 | 120.1° | 119.9° |
| C17 | C16 | C15 | 118.6° | 120.1° |
| C17 | C16 | C21 | 120.1° | 119.8° |
| C16 | C17 | H22 | 119.9° | 120.0° |
| C22 | C15 | C16 | 130.0° | 126.9° |
| C15 | C22 | H24 | 127.5° | 126.9° |
| C15 | C16 | C21 | 121.3° | 120.1° |
| C13 | C11 | O3 | 110.0° | 109.4° |
| C13 | C11 | C12 | 111.3° | 109.5° |
| C11 | C13 | O5 | 109.1° | 109.5° |
| C11 | C13 | H19 | 108.5° | 109.6° |
| C13 | C11 | H15 | 108.3° | 109.4° |
| O3 | C11 | C12 | 109.2° | 109.5° |
| O3 | C11 | H15 | 109.6° | 109.5° |
| C11 | C12 | O4 | 109.2° | 109.5° |
| C12 | C11 | H15 | 108.4° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| O5 | C13 | H19 | 109.7° | 109.5° |
| C13 | O5 | H20 | 109.5° | 114.0° |
| C18 | C19 | CL1 | 118.6° | 119.9° |
| C18 | C19 | C20 | 120.0° | 120.2° |
| C19 | C18 | H23 | 120.1° | 120.0° |
| C16 | C21 | C20 | 119.6° | 119.8° |
| C16 | C21 | F3 | 122.6° | 120.1° |
| O4 | C12 | H16 | 109.5° | 109.5° |
| O4 | C12 | H17 | 109.5° | 109.4° |
| C12 | O4 | H18 | 109.5° | 114.0° |
| CL1 | C19 | C20 | 121.4° | 119.9° |
| C19 | C20 | C21 | 120.2° | 120.0° |
| C19 | C20 | F2 | 123.4° | 120.0° |
| C20 | C21 | F3 | 117.8° | 120.1° |
| C21 | C20 | F2 | 116.4° | 120.0° |
| H7 | C4 | H6 | 109.4° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 113.0° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.4° |
| H12 | C9 | H11 | 109.5° | 113.2° |
| 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 | 179.2° | 180.0° |
| N2 | N3 | C5 | C6 | 0.6° | 0.1° |
| N3 | N2 | N1 | C7 | 178.4° | 180.0° |
| N3 | N2 | N1 | C6 | 2.4° | 0.3° |
| C5 | N3 | N2 | N1 | 1.0° | 0.1° |
| N3 | C5 | C4 | C6 | 178.3° | 179.9° |
| N3 | C5 | C6 | N1 | 1.9° | 0.2° |
| N3 | C5 | C4 | C3 | 162.9° | 55.1° |
| N3 | C5 | C4 | H7 | 76.3° | 64.9° |
| N3 | C5 | C4 | H6 | 42.0° | 175.1° |
| N3 | C5 | C6 | H8 | 178.1° | 179.8° |
| N2 | N1 | C7 | C9 | 36.4° | 81.5° |
| N2 | N1 | C6 | C5 | 2.7° | 0.3° |
| N2 | N1 | C7 | C6 | 175.5° | 179.6° |
| N2 | N1 | C7 | C8 | 91.5° | 146.5° |
| N2 | N1 | C7 | C10 | 139.9° | 14.7° |
| N2 | N1 | C6 | H8 | 177.3° | 179.8° |
| C7 | C9 | O2 | H12 | 116.3° | 114.1° |
| C7 | C9 | O2 | H11 | 116.4° | 114.1° |
| C9 | C7 | N1 | C8 | 127.9° | 132.0° |
| C9 | C7 | N1 | C10 | 103.4° | 96.1° |
| C9 | C7 | N1 | C6 | 148.0° | 98.9° |
| C9 | C7 | C8 | C10 | 99.8° | 96.2° |
| C9 | C7 | C8 | F1 | 169.3° | 81.6° |
| C7 | C9 | O2 | C10 | 1.7° | 24.2° |
| C9 | C7 | C8 | H9 | 49.2° | 158.4° |
| C9 | C7 | C8 | H10 | 70.7° | 38.5° |
| C9 | C7 | C10 | H13 | 118.1° | 91.6° |
| C9 | C7 | C10 | H14 | 114.7° | 136.9° |
| C7 | C9 | H12 | H11 | 129.8° | 132.0° |
| O2 | C9 | C7 | N1 | 120.8° | 91.7° |
| O2 | C9 | C7 | C8 | 112.3° | 136.8° |
| C9 | O2 | C10 | H13 | 118.2° | 90.0° |
| C9 | O2 | C10 | H14 | 114.7° | 138.4° |
| O2 | C9 | H12 | H11 | 129.8° | 132.1° |
| C4 | C5 | C6 | N1 | 179.6° | 179.8° |
| C5 | C4 | C3 | H7 | 120.8° | 120.0° |
| C5 | C4 | C3 | H6 | 120.9° | 120.0° |
| C5 | C4 | C3 | C2 | 175.7° | 175.0° |
| C5 | C4 | C3 | O3 | 53.8° | 65.1° |
| C5 | C4 | H7 | H6 | 117.4° | 120.0° |
| C4 | C5 | C6 | H8 | 0.4° | 0.1° |
| C5 | C4 | C3 | H5 | 66.1° | 55.0° |
| C5 | C6 | N1 | C7 | 178.6° | 180.0° |
| C5 | C6 | N1 | H8 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 18.9° | 125.0° |
| C6 | C5 | C4 | H7 | 102.0° | 115.0° |
| C6 | C5 | C4 | H6 | 139.7° | 5.0° |
| N1 | C7 | C8 | C10 | 130.8° | 131.8° |
| N1 | C7 | C8 | F1 | 61.4° | 50.3° |
| N1 | C7 | C10 | O2 | 119.8° | 91.6° |
| C7 | N1 | C6 | H8 | 1.5° | 0.1° |
| N1 | C7 | C8 | H9 | 178.6° | 69.7° |
| N1 | C7 | C8 | H10 | 58.7° | 170.4° |
| N1 | C7 | C10 | H13 | 123.8° | 154.2° |
| N1 | C7 | C10 | H14 | 3.4° | 22.7° |
| N1 | C7 | C9 | H12 | 4.5° | 22.5° |
| N1 | C7 | C9 | H11 | 122.9° | 154.2° |
| C6 | N1 | C7 | C8 | 84.0° | 33.1° |
| C6 | N1 | C7 | C10 | 44.6° | 165.0° |
| C4 | C3 | C2 | O1 | 53.1° | 57.6° |
| C4 | C3 | C2 | C14 | 67.6° | 62.4° |
| C4 | C3 | C2 | O3 | 123.4° | 119.9° |
| C4 | C3 | C2 | H5 | 118.2° | 120.0° |
| C4 | C3 | O3 | H5 | 119.1° | 120.1° |
| C4 | C3 | O3 | C11 | 68.4° | 58.8° |
| C3 | C4 | H7 | H6 | 117.4° | 120.1° |
| C4 | C3 | C2 | H4 | 172.7° | 177.7° |
| C7 | C8 | F1 | H9 | 120.0° | 120.0° |
| C7 | C8 | F1 | H10 | 120.0° | 120.0° |
| C8 | C7 | C10 | O2 | 112.4° | 136.9° |
| C7 | C8 | H9 | H10 | 119.8° | 119.9° |
| C8 | C7 | C10 | H13 | 4.0° | 22.8° |
| C8 | C7 | C10 | H14 | 131.1° | 108.8° |
| C8 | C7 | C9 | H12 | 131.4° | 109.0° |
| C8 | C7 | C9 | H11 | 4.1° | 22.7° |
| F1 | C8 | C7 | C10 | 69.5° | 177.8° |
| F1 | C8 | H9 | H10 | 119.9° | 120.1° |
| C7 | C10 | O2 | H13 | 116.4° | 114.1° |
| C7 | C10 | O2 | H14 | 116.4° | 114.2° |
| C10 | C7 | C8 | H9 | 50.6° | 62.1° |
| C10 | C7 | C8 | H10 | 170.5° | 57.8° |
| C7 | C10 | H13 | H14 | 129.6° | 132.0° |
| C10 | C7 | C9 | H12 | 114.6° | 136.7° |
| C10 | C7 | C9 | H11 | 118.1° | 91.6° |
| N6 | N5 | N4 | C14 | 178.0° | 179.7° |
| N6 | N5 | N4 | C22 | 2.3° | 0.3° |
| N5 | N6 | C15 | C22 | 0.3° | 0.4° |
| N5 | N6 | C15 | C16 | 179.2° | 179.8° |
| N4 | N5 | N6 | C15 | 1.2° | 0.5° |
| N5 | N4 | C14 | C22 | 174.3° | 180.0° |
| N5 | N4 | C14 | C2 | 122.0° | 94.9° |
| N5 | N4 | C14 | C13 | 119.0° | 145.5° |
| N5 | N4 | C22 | C15 | 2.4° | 0.0° |
| N5 | N4 | C22 | H24 | 177.6° | 180.0° |
| N5 | N4 | C14 | H21 | 0.3° | 25.3° |
| N6 | C15 | C22 | N4 | 1.6° | 0.3° |
| N6 | C15 | C16 | C17 | 25.9° | 0.3° |
| N6 | C15 | C22 | C16 | 178.8° | 179.7° |
| N6 | C15 | C16 | C21 | 154.2° | 179.7° |
| N6 | C15 | C22 | H24 | 178.4° | 179.7° |
| C1 | O1 | C2 | C14 | 153.4° | 150.1° |
| C1 | O1 | C2 | C3 | 83.7° | 90.2° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 119.9° |
| C1 | O1 | C2 | H4 | 35.1° | 29.9° |
| O1 | C2 | C14 | N4 | 60.3° | 63.3° |
| O1 | C2 | C14 | C3 | 121.9° | 119.9° |
| O1 | C2 | C14 | H4 | 118.9° | 120.2° |
| O1 | C2 | C14 | C13 | 179.9° | 176.9° |
| O1 | C2 | C3 | H4 | 119.7° | 120.1° |
| O1 | C2 | C3 | O3 | 176.5° | 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 | 65.1° | 62.5° |
| O1 | C2 | C14 | H21 | 62.3° | 56.9° |
| O2 | C10 | H13 | H14 | 129.6° | 132.1° |
| C10 | O2 | C9 | H12 | 114.6° | 138.3° |
| C10 | O2 | C9 | H11 | 118.1° | 89.9° |
| N4 | C14 | C2 | C13 | 119.6° | 119.9° |
| N4 | C14 | C2 | H21 | 122.7° | 120.2° |
| N4 | C14 | C13 | H21 | 119.4° | 120.2° |
| N4 | C14 | C2 | C3 | 177.8° | 176.9° |
| C14 | N4 | C22 | C15 | 176.9° | 180.0° |
| N4 | C14 | C13 | C11 | 179.4° | 176.8° |
| N4 | C14 | C13 | O5 | 59.7° | 57.0° |
| N4 | C14 | C13 | H19 | 60.9° | 63.2° |
| C14 | N4 | C22 | H24 | 3.1° | 0.0° |
| N4 | C14 | C2 | H4 | 58.5° | 56.9° |
| C2 | C14 | C13 | H21 | 118.2° | 120.0° |
| C14 | C2 | C3 | H4 | 119.6° | 119.9° |
| C14 | C2 | C3 | O3 | 55.8° | 57.6° |
| C2 | C14 | N4 | C22 | 52.3° | 85.0° |
| C2 | C14 | C13 | C11 | 58.2° | 57.0° |
| C2 | C14 | C13 | O5 | 62.7° | 62.9° |
| C2 | C14 | C13 | H19 | 176.7° | 177.0° |
| C14 | C2 | C3 | H5 | 174.2° | 177.6° |
| C13 | C14 | C2 | C3 | 58.2° | 57.0° |
| C13 | C14 | N4 | C22 | 66.7° | 34.6° |
| C14 | C13 | C11 | O5 | 122.0° | 119.9° |
| C14 | C13 | C11 | H19 | 118.4° | 120.0° |
| C14 | C13 | C11 | O3 | 56.6° | 57.6° |
| C14 | C13 | C11 | C12 | 177.7° | 177.6° |
| C14 | C13 | O5 | H19 | 119.8° | 120.1° |
| C13 | C14 | C2 | H4 | 61.1° | 62.9° |
| C14 | C13 | C11 | H15 | 63.2° | 62.3° |
| C14 | C13 | O5 | H20 | 180.0° | 179.9° |
| C2 | C3 | O3 | H5 | 117.6° | 120.0° |
| C2 | C3 | O3 | C11 | 55.0° | 61.1° |
| C2 | C3 | C4 | H7 | 54.9° | 65.0° |
| C2 | C3 | C4 | H6 | 63.4° | 55.0° |
| C3 | C2 | C14 | H21 | 59.6° | 62.9° |
| C3 | O3 | C11 | C13 | 56.6° | 61.1° |
| C3 | O3 | C11 | C12 | 179.0° | 178.9° |
| O3 | C3 | C4 | H7 | 67.1° | 54.9° |
| O3 | C3 | C4 | H6 | 174.6° | 174.9° |
| O3 | C3 | C2 | H4 | 63.9° | 62.4° |
| C3 | O3 | C11 | H15 | 62.3° | 58.8° |
| N4 | C22 | C15 | H24 | 180.0° | 180.0° |
| N4 | C22 | C15 | C16 | 179.6° | 180.0° |
| C22 | N4 | C14 | H21 | 174.7° | 154.7° |
| C18 | C17 | C16 | H22 | 180.0° | 179.6° |
| C18 | C17 | C16 | C15 | 179.8° | 180.0° |
| C17 | C18 | C19 | H23 | 180.0° | 179.9° |
| C18 | C17 | C16 | C21 | 0.4° | 0.1° |
| C17 | C18 | C19 | CL1 | 179.7° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.1° |
| C17 | C16 | C15 | C22 | 152.7° | 179.9° |
| C17 | C16 | C15 | C21 | 179.9° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C17 | C16 | C21 | C20 | 0.3° | 0.0° |
| C17 | C16 | C21 | F3 | 180.0° | 180.0° |
| C16 | C17 | C18 | H23 | 179.9° | 180.0° |
| C22 | C15 | C16 | C21 | 27.1° | 0.0° |
| C15 | C16 | C21 | C20 | 179.8° | 180.0° |
| C15 | C16 | C21 | F3 | 0.1° | 0.0° |
| C15 | C16 | C17 | H22 | 0.2° | 0.3° |
| C16 | C15 | C22 | H24 | 0.4° | 0.0° |
| C13 | C11 | O3 | C12 | 122.4° | 120.0° |
| C13 | C11 | O3 | H15 | 119.0° | 119.9° |
| C13 | C11 | C12 | H15 | 119.0° | 120.0° |
| C11 | C13 | O5 | H19 | 118.8° | 120.2° |
| C13 | C11 | C12 | O4 | 175.2° | 175.0° |
| C13 | C11 | C12 | H16 | 55.3° | 54.9° |
| C13 | C11 | C12 | H17 | 64.9° | 65.1° |
| C11 | C13 | O5 | H20 | 58.6° | 60.2° |
| C11 | C13 | C14 | H21 | 60.0° | 63.0° |
| O3 | C11 | C12 | H15 | 119.4° | 120.0° |
| O3 | C11 | C13 | O5 | 65.5° | 62.3° |
| O3 | C11 | C12 | O4 | 63.2° | 65.0° |
| O3 | C11 | C13 | H19 | 175.0° | 177.6° |
| C11 | O3 | C3 | H5 | 172.5° | 178.9° |
| O3 | C11 | C12 | H16 | 176.9° | 174.9° |
| O3 | C11 | C12 | H17 | 56.7° | 54.9° |
| C12 | C11 | C13 | O5 | 55.7° | 57.7° |
| C11 | C12 | O4 | H16 | 119.9° | 120.1° |
| C11 | C12 | O4 | H17 | 119.9° | 120.0° |
| C12 | C11 | C13 | H19 | 63.8° | 62.4° |
| C11 | C12 | H16 | H17 | 120.1° | 120.0° |
| C11 | C12 | O4 | H18 | 180.0° | 180.0° |
| O5 | C13 | C11 | H15 | 174.8° | 177.8° |
| O5 | C13 | C14 | H21 | 179.1° | 177.1° |
| C18 | C19 | CL1 | C20 | 179.5° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C18 | C19 | C20 | F2 | 179.9° | 180.0° |
| C19 | C18 | C17 | H22 | 179.9° | 179.7° |
| C16 | C21 | C20 | C19 | 0.0° | 0.0° |
| C16 | C21 | C20 | F3 | 179.7° | 180.0° |
| C16 | C21 | C20 | F2 | 179.9° | 180.0° |
| C21 | C16 | C17 | H22 | 179.7° | 179.7° |
| O4 | C12 | C11 | H15 | 56.1° | 55.0° |
| O4 | C12 | H16 | H17 | 120.1° | 120.0° |
| CL1 | C19 | C20 | C21 | 179.8° | 180.0° |
| CL1 | C19 | C20 | F2 | 0.3° | 0.0° |
| CL1 | C19 | C18 | H23 | 0.3° | 0.0° |
| C19 | C20 | C21 | F2 | 179.9° | 180.0° |
| C19 | C20 | C21 | F3 | 179.8° | 180.0° |
| C20 | C19 | C18 | H23 | 179.8° | 180.0° |
| F3 | C21 | C20 | F2 | 0.1° | 0.0° |
| H7 | C4 | C3 | H5 | 173.1° | 175.0° |
| H6 | C4 | C3 | H5 | 54.8° | 65.0° |
| H19 | C13 | C11 | H15 | 55.3° | 57.6° |
| H19 | C13 | O5 | H20 | 60.2° | 60.0° |
| H19 | C13 | C14 | H21 | 58.5° | 57.0° |
| H22 | C17 | C18 | H23 | 0.1° | 0.3° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H4 | C2 | C3 | H5 | 54.6° | 57.7° |
| H4 | C2 | C14 | H21 | 178.8° | 177.2° |
| H15 | C11 | C12 | H16 | 63.8° | 65.1° |
| H15 | C11 | C12 | H17 | 176.1° | 175.0° |
| H16 | C12 | O4 | H18 | 60.0° | 59.9° |
| H17 | C12 | O4 | H18 | 60.1° | 60.0° |
