A1AS3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.36Å | 1.36Å | Aromatic |
| C1 | F1 | sing | 1.35Å | 1.38Å | |
| C2 | C3 | sing | 1.42Å | 1.42Å | Aromatic |
| C2 | C7 | sing | 1.41Å | 1.44Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.36Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | C10 | sing | 1.51Å | 1.53Å | |
| C8 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| N1 | C9 | doub | 1.31Å | 1.30Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | N2 | sing | 1.46Å | 1.45Å | |
| C11 | N5 | doub | 1.28Å | 1.28Å | |
| N2 | C12 | sing | 1.35Å | 1.32Å | |
| C12 | O1 | doub | 1.21Å | 1.24Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | N3 | sing | 1.48Å | 1.46Å | |
| C13 | C16 | sing | 1.54Å | 1.49Å | |
| N3 | C14 | sing | 1.48Å | 1.48Å | |
| N3 | C20 | sing | 1.35Å | 1.35Å | |
| C14 | C15 | sing | 1.54Å | 1.53Å | |
| C15 | C16 | sing | 1.55Å | 1.49Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C20 | O2 | doub | 1.21Å | 1.24Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C21 | N4 | sing | 1.46Å | 1.46Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| N4 | C26 | sing | 1.35Å | 1.34Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | O3 | doub | 1.21Å | 1.22Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C27 | F2 | sing | 1.40Å | 1.33Å | |
| C27 | F3 | sing | 1.40Å | 1.33Å | |
| C27 | F4 | sing | 1.40Å | 1.32Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.3° | 119.4° |
| C2 | C1 | F1 | 121.2° | 120.3° |
| C1 | C2 | C3 | 115.9° | 119.5° |
| C1 | C2 | C7 | 127.4° | 122.2° |
| C6 | C1 | F1 | 116.5° | 120.3° |
| C1 | C6 | C5 | 120.2° | 121.0° |
| C1 | C6 | H3 | 119.9° | 119.5° |
| C3 | C2 | C7 | 116.6° | 118.2° |
| C2 | C3 | C4 | 121.6° | 119.4° |
| C2 | C3 | C9 | 117.2° | 118.6° |
| C2 | C7 | C8 | 119.6° | 118.7° |
| C2 | C7 | C10 | 124.7° | 120.7° |
| C4 | C3 | C9 | 121.3° | 122.1° |
| C3 | C4 | C5 | 119.7° | 119.5° |
| C3 | C4 | H1 | 120.2° | 120.3° |
| C3 | C9 | N1 | 125.1° | 119.9° |
| C3 | C9 | H5 | 117.5° | 120.1° |
| C4 | C5 | C6 | 120.3° | 121.1° |
| C5 | C4 | H1 | 120.2° | 120.2° |
| C4 | C5 | H2 | 119.8° | 119.4° |
| C6 | C5 | H2 | 119.8° | 119.5° |
| C5 | C6 | H3 | 119.9° | 119.5° |
| C8 | C7 | C10 | 115.8° | 120.7° |
| C7 | C8 | N1 | 122.5° | 121.9° |
| C7 | C8 | H4 | 118.7° | 119.1° |
| C7 | C10 | C11 | 112.7° | 109.5° |
| C7 | C10 | N2 | 109.8° | 109.4° |
| C7 | C10 | H6 | 106.1° | 109.5° |
| C8 | N1 | C9 | 119.1° | 122.8° |
| N1 | C8 | H4 | 118.8° | 119.1° |
| N1 | C9 | H5 | 117.4° | 120.1° |
| C11 | C10 | N2 | 114.8° | 109.4° |
| C10 | C11 | N5 | 122.1° | 120.0° |
| C11 | C10 | H6 | 106.0° | 109.5° |
| C10 | C11 | H7 | 118.9° | 120.0° |
| C10 | N2 | C12 | 127.3° | 120.0° |
| N2 | C10 | H6 | 106.9° | 109.5° |
| C10 | N2 | H8 | 116.4° | 120.1° |
| N5 | C11 | H7 | 118.9° | 120.0° |
| C11 | N5 | H31 | 112.0° | 120.0° |
| N2 | C12 | O1 | 124.4° | 120.0° |
| N2 | C12 | C13 | 110.4° | 120.0° |
| C12 | N2 | H8 | 116.4° | 120.0° |
| O1 | C12 | C13 | 125.1° | 120.0° |
| C12 | C13 | N3 | 112.2° | 110.4° |
| C12 | C13 | C16 | 111.5° | 110.4° |
| C12 | C13 | H9 | 109.6° | 110.5° |
| N3 | C13 | C16 | 103.0° | 104.6° |
| C13 | N3 | C14 | 112.6° | 104.4° |
| C13 | N3 | C20 | 122.7° | 127.8° |
| N3 | C13 | H9 | 110.3° | 110.4° |
| C13 | C16 | C15 | 109.9° | 105.0° |
| C13 | C16 | C17 | 116.4° | 118.1° |
| C16 | C13 | H9 | 110.0° | 110.5° |
| C13 | C16 | H13 | 118.9° | 117.6° |
| C14 | N3 | C20 | 124.6° | 127.8° |
| N3 | C14 | C15 | 101.5° | 104.6° |
| N3 | C14 | H11 | 111.4° | 110.5° |
| N3 | C14 | H10 | 111.4° | 110.4° |
| N3 | C20 | O2 | 119.1° | 120.0° |
| N3 | C20 | C21 | 121.2° | 120.0° |
| C14 | C15 | C16 | 106.6° | 104.8° |
| C14 | C15 | C17 | 122.7° | 118.4° |
| C14 | C15 | H12 | 117.1° | 118.1° |
| C15 | C14 | H11 | 111.4° | 110.4° |
| C15 | C14 | H10 | 111.4° | 110.4° |
| C16 | C15 | C17 | 60.5° | 59.8° |
| C15 | C16 | C17 | 60.9° | 59.5° |
| C16 | C15 | H12 | 118.0° | 121.7° |
| C15 | C16 | H13 | 118.9° | 122.0° |
| C15 | C17 | C16 | 58.7° | 60.8° |
| C15 | C17 | C18 | 106.8° | 117.4° |
| C15 | C17 | C19 | 132.2° | 117.5° |
| C17 | C15 | H12 | 117.3° | 119.5° |
| C16 | C17 | C18 | 130.6° | 117.4° |
| C16 | C17 | C19 | 111.8° | 117.4° |
| C17 | C16 | H13 | 118.3° | 120.3° |
| C18 | C17 | C19 | 110.6° | 115.5° |
| C17 | C18 | H16 | 109.5° | 109.5° |
| C17 | C18 | H14 | 109.5° | 109.5° |
| C17 | C18 | H15 | 109.4° | 109.5° |
| C17 | C19 | H18 | 109.5° | 109.5° |
| C17 | C19 | H19 | 109.4° | 109.4° |
| C17 | C19 | H17 | 109.5° | 109.5° |
| O2 | C20 | C21 | 119.7° | 120.0° |
| C20 | C21 | N4 | 104.0° | 109.5° |
| C20 | C21 | C22 | 115.1° | 109.5° |
| C20 | C21 | H20 | 107.1° | 109.5° |
| N4 | C21 | C22 | 115.5° | 109.4° |
| C21 | N4 | C26 | 123.3° | 120.0° |
| N4 | C21 | H20 | 107.9° | 109.5° |
| C21 | N4 | H21 | 118.4° | 120.0° |
| C21 | C22 | C23 | 113.4° | 109.5° |
| C21 | C22 | C24 | 110.7° | 109.5° |
| C21 | C22 | C25 | 109.5° | 109.5° |
| C22 | C21 | H20 | 106.7° | 109.5° |
| N4 | C26 | O3 | 125.7° | 120.0° |
| N4 | C26 | C27 | 116.0° | 120.0° |
| C26 | N4 | H21 | 118.3° | 120.0° |
| C23 | C22 | C24 | 109.1° | 109.5° |
| C23 | C22 | C25 | 106.1° | 109.5° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H24 | 109.5° | 109.4° |
| C22 | C23 | H22 | 109.5° | 109.4° |
| C24 | C22 | C25 | 107.8° | 109.4° |
| C22 | C24 | H25 | 109.5° | 109.5° |
| C22 | C24 | H26 | 109.5° | 109.5° |
| C22 | C24 | H27 | 109.5° | 109.5° |
| C22 | C25 | H28 | 109.5° | 109.5° |
| C22 | C25 | H30 | 109.4° | 109.5° |
| C22 | C25 | H29 | 109.4° | 109.5° |
| O3 | C26 | C27 | 118.4° | 120.0° |
| C26 | C27 | F2 | 112.8° | 109.4° |
| C26 | C27 | F3 | 112.4° | 109.5° |
| C26 | C27 | F4 | 110.1° | 109.5° |
| F2 | C27 | F3 | 107.3° | 109.5° |
| F2 | C27 | F4 | 107.0° | 109.5° |
| F3 | C27 | F4 | 106.9° | 109.5° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H25 | C24 | H27 | 109.5° | 109.4° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H11 | C14 | H10 | 109.5° | 110.4° |
| H16 | C18 | H14 | 109.4° | 109.5° |
| H16 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H18 | C19 | H17 | 109.5° | 109.5° |
| H19 | C19 | H17 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H23 | C23 | H22 | 109.5° | 109.5° |
| H24 | C23 | H22 | 109.5° | 109.5° |
| H28 | C25 | H30 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H30 | C25 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | F1 | 179.7° | 179.8° |
| C1 | C2 | C3 | C7 | 179.7° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | C9 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 0.2° | 0.1° |
| C1 | C2 | C7 | C8 | 179.5° | 179.9° |
| C1 | C2 | C7 | C10 | 0.0° | 0.0° |
| C2 | C1 | C6 | H3 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.1° |
| C6 | C1 | C2 | C7 | 179.8° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C1 | C6 | C5 | H2 | 179.9° | 180.0° |
| F1 | C1 | C2 | C3 | 179.9° | 179.9° |
| F1 | C1 | C2 | C7 | 0.5° | 0.1° |
| F1 | C1 | C6 | C5 | 179.9° | 179.9° |
| F1 | C1 | C6 | H3 | 0.1° | 0.2° |
| C2 | C3 | C4 | C9 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C3 | C2 | C7 | C8 | 0.9° | 0.1° |
| C3 | C2 | C7 | C10 | 179.7° | 179.9° |
| C2 | C3 | C9 | N1 | 0.4° | 0.1° |
| C2 | C3 | C4 | H1 | 179.7° | 179.9° |
| C2 | C3 | C9 | H5 | 179.6° | 180.0° |
| C7 | C2 | C3 | C4 | 179.6° | 180.0° |
| C7 | C2 | C3 | C9 | 0.4° | 0.1° |
| C2 | C7 | C8 | C10 | 179.5° | 180.0° |
| C2 | C7 | C8 | N1 | 0.6° | 0.0° |
| C2 | C7 | C10 | C11 | 138.0° | 85.0° |
| C2 | C7 | C10 | N2 | 92.7° | 155.0° |
| C2 | C7 | C8 | H4 | 179.4° | 179.9° |
| C2 | C7 | C10 | H6 | 22.5° | 35.0° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C4 | C3 | C9 | N1 | 179.6° | 180.0° |
| C3 | C4 | C5 | H2 | 179.6° | 179.9° |
| C4 | C3 | C9 | H5 | 0.4° | 0.1° |
| C9 | C3 | C4 | C5 | 179.6° | 180.0° |
| C3 | C9 | N1 | C8 | 0.7° | 0.0° |
| C3 | C9 | N1 | H5 | 180.0° | 179.9° |
| C9 | C3 | C4 | H1 | 0.4° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| C6 | C5 | C4 | H1 | 179.6° | 180.0° |
| C7 | C8 | N1 | H4 | 180.0° | 179.9° |
| C7 | C8 | N1 | C9 | 0.2° | 0.0° |
| C8 | C7 | C10 | C11 | 42.5° | 95.0° |
| C8 | C7 | C10 | N2 | 86.8° | 25.0° |
| C8 | C7 | C10 | H6 | 158.1° | 145.0° |
| C10 | C7 | C8 | N1 | 179.9° | 180.0° |
| C7 | C10 | C11 | N2 | 126.7° | 120.0° |
| C7 | C10 | C11 | H6 | 115.6° | 120.0° |
| C7 | C10 | N2 | H6 | 114.6° | 120.0° |
| C7 | C10 | C11 | N5 | 87.5° | 120.0° |
| C7 | C10 | N2 | C12 | 159.1° | 155.0° |
| C10 | C7 | C8 | H4 | 0.0° | 0.1° |
| C7 | C10 | C11 | H7 | 92.5° | 60.0° |
| C7 | C10 | N2 | H8 | 20.9° | 25.0° |
| C8 | N1 | C9 | H5 | 179.2° | 179.9° |
| C9 | N1 | C8 | H4 | 179.7° | 179.9° |
| C11 | C10 | N2 | H6 | 117.2° | 120.0° |
| C10 | C11 | N5 | H7 | 180.0° | 180.0° |
| C11 | C10 | N2 | C12 | 72.7° | 85.0° |
| C11 | C10 | N2 | H8 | 107.3° | 95.0° |
| C10 | C11 | N5 | H31 | 180.0° | 180.0° |
| N2 | C10 | C11 | N5 | 145.8° | 0.0° |
| C10 | N2 | C12 | H8 | 180.0° | 180.0° |
| C10 | N2 | C12 | O1 | 2.2° | 0.0° |
| C10 | N2 | C12 | C13 | 178.0° | 180.0° |
| N2 | C10 | C11 | H7 | 34.1° | 180.0° |
| N5 | C11 | C10 | H6 | 28.1° | 120.0° |
| N2 | C12 | O1 | C13 | 179.7° | 180.0° |
| N2 | C12 | C13 | N3 | 84.4° | 161.4° |
| N2 | C12 | C13 | C16 | 160.5° | 83.4° |
| C12 | N2 | C10 | H6 | 44.5° | 35.0° |
| N2 | C12 | C13 | H9 | 38.5° | 39.0° |
| O1 | C12 | C13 | N3 | 95.8° | 18.5° |
| O1 | C12 | C13 | C16 | 19.2° | 96.6° |
| O1 | C12 | C13 | H9 | 141.2° | 140.9° |
| O1 | C12 | N2 | H8 | 177.8° | 180.0° |
| C12 | C13 | N3 | C16 | 120.1° | 118.7° |
| C12 | C13 | N3 | H9 | 122.5° | 122.4° |
| C12 | C13 | C16 | H9 | 121.8° | 122.5° |
| C12 | C13 | N3 | C14 | 98.8° | 79.2° |
| C12 | C13 | N3 | C20 | 84.4° | 100.6° |
| C12 | C13 | C16 | C15 | 113.8° | 95.2° |
| C12 | C13 | C16 | C17 | 179.6° | 158.2° |
| C12 | C13 | C16 | H13 | 28.1° | 44.2° |
| C13 | C12 | N2 | H8 | 2.0° | 0.0° |
| N3 | C13 | C16 | H9 | 117.6° | 118.8° |
| C13 | N3 | C14 | C20 | 176.7° | 179.7° |
| C13 | N3 | C14 | C15 | 26.3° | 39.8° |
| N3 | C13 | C16 | C15 | 6.8° | 23.6° |
| N3 | C13 | C16 | C17 | 59.8° | 39.5° |
| C13 | N3 | C20 | O2 | 2.3° | 4.1° |
| C13 | N3 | C20 | C21 | 178.7° | 176.0° |
| C13 | N3 | C14 | H11 | 145.0° | 158.6° |
| C13 | N3 | C14 | H10 | 92.4° | 79.0° |
| N3 | C13 | C16 | H13 | 148.7° | 162.9° |
| C16 | C13 | N3 | C14 | 21.3° | 39.6° |
| C16 | C13 | N3 | C20 | 155.5° | 140.7° |
| C13 | C16 | C15 | C14 | 8.8° | 0.4° |
| C13 | C16 | C15 | C17 | 109.8° | 114.1° |
| C13 | C16 | C15 | H13 | 142.0° | 137.1° |
| C13 | C16 | C17 | H13 | 151.7° | 156.9° |
| C13 | C16 | C17 | C18 | 13.5° | 16.2° |
| C13 | C16 | C17 | C19 | 133.6° | 160.7° |
| C13 | C16 | C15 | H12 | 142.9° | 137.8° |
| N3 | C14 | C15 | H11 | 118.7° | 118.8° |
| N3 | C14 | C15 | H10 | 118.7° | 118.8° |
| N3 | C14 | C15 | C16 | 20.2° | 24.3° |
| N3 | C14 | C15 | C17 | 44.9° | 39.1° |
| C14 | N3 | C20 | O2 | 178.7° | 176.2° |
| C14 | N3 | C20 | C21 | 2.4° | 3.7° |
| C14 | N3 | C13 | H9 | 138.7° | 158.4° |
| N3 | C14 | C15 | H12 | 154.9° | 163.5° |
| N3 | C14 | H11 | H10 | 123.7° | 122.4° |
| C20 | N3 | C14 | C15 | 150.4° | 140.4° |
| N3 | C20 | O2 | C21 | 179.0° | 180.0° |
| N3 | C20 | C21 | N4 | 121.0° | 153.1° |
| N3 | C20 | C21 | C22 | 111.5° | 86.9° |
| C20 | N3 | C13 | H9 | 38.1° | 21.9° |
| N3 | C20 | C21 | H20 | 6.9° | 33.1° |
| C20 | N3 | C14 | H11 | 31.7° | 21.7° |
| C20 | N3 | C14 | H10 | 90.9° | 100.8° |
| C14 | C15 | C16 | C17 | 118.6° | 114.5° |
| C14 | C15 | C16 | H12 | 134.2° | 137.4° |
| C14 | C15 | C17 | H12 | 160.2° | 157.0° |
| C14 | C15 | C17 | C18 | 36.2° | 16.4° |
| C14 | C15 | C17 | C19 | 176.6° | 161.1° |
| C15 | C14 | H11 | H10 | 123.7° | 122.4° |
| C14 | C15 | C16 | H13 | 133.2° | 136.7° |
| C16 | C15 | C17 | H12 | 108.3° | 111.7° |
| C15 | C16 | C17 | H13 | 109.1° | 111.6° |
| C16 | C15 | C17 | C18 | 127.7° | 107.7° |
| C16 | C15 | C17 | C19 | 91.9° | 107.6° |
| C15 | C16 | C13 | H9 | 124.4° | 142.4° |
| C16 | C15 | C14 | H11 | 138.9° | 143.1° |
| C16 | C15 | C14 | H10 | 98.5° | 94.5° |
| C15 | C17 | C18 | C19 | 149.7° | 145.4° |
| C17 | C15 | C14 | H11 | 73.8° | 79.7° |
| C17 | C15 | C14 | H10 | 163.6° | 157.8° |
| C15 | C17 | C18 | H16 | 180.0° | 111.4° |
| C15 | C17 | C18 | H14 | 60.0° | 128.6° |
| C15 | C17 | C18 | H15 | 60.0° | 8.6° |
| C15 | C17 | C19 | H18 | 180.0° | 8.6° |
| C15 | C17 | C19 | H19 | 60.0° | 128.6° |
| C15 | C17 | C19 | H17 | 60.0° | 111.4° |
| C16 | C17 | C18 | C19 | 147.4° | 145.2° |
| C17 | C16 | C13 | H9 | 57.8° | 79.3° |
| C16 | C17 | C18 | H16 | 117.1° | 179.2° |
| C16 | C17 | C18 | H14 | 2.8° | 59.2° |
| C16 | C17 | C18 | H15 | 122.9° | 60.8° |
| C16 | C17 | C19 | H18 | 113.2° | 60.8° |
| C16 | C17 | C19 | H19 | 126.8° | 59.2° |
| C16 | C17 | C19 | H17 | 6.8° | 179.2° |
| C18 | C17 | C15 | H12 | 124.0° | 140.6° |
| C18 | C17 | C16 | H13 | 165.2° | 140.7° |
| C17 | C18 | H16 | H14 | 120.0° | 120.0° |
| C17 | C18 | H16 | H15 | 120.0° | 120.0° |
| C17 | C18 | H14 | H15 | 120.0° | 120.0° |
| C18 | C17 | C19 | H18 | 40.6° | 154.0° |
| C18 | C17 | C19 | H19 | 79.4° | 86.0° |
| C18 | C17 | C19 | H17 | 160.6° | 34.0° |
| C19 | C17 | C15 | H12 | 16.4° | 4.1° |
| C19 | C17 | C16 | H13 | 18.0° | 3.8° |
| C19 | C17 | C18 | H16 | 30.3° | 34.0° |
| C19 | C17 | C18 | H14 | 150.3° | 86.0° |
| C19 | C17 | C18 | H15 | 89.7° | 154.0° |
| C17 | C19 | H18 | H19 | 120.0° | 120.0° |
| C17 | C19 | H18 | H17 | 120.0° | 120.0° |
| C17 | C19 | H19 | H17 | 120.0° | 120.0° |
| O2 | C20 | C21 | N4 | 60.1° | 26.8° |
| O2 | C20 | C21 | C22 | 67.4° | 93.1° |
| O2 | C20 | C21 | H20 | 174.2° | 146.9° |
| C20 | C21 | N4 | C22 | 127.2° | 120.0° |
| C20 | C21 | N4 | H20 | 113.5° | 120.0° |
| C20 | C21 | C22 | H20 | 118.6° | 120.0° |
| C20 | C21 | N4 | C26 | 99.1° | 155.0° |
| C20 | C21 | C22 | C23 | 60.1° | 61.6° |
| C20 | C21 | C22 | C24 | 176.8° | 58.4° |
| C20 | C21 | C22 | C25 | 58.1° | 178.4° |
| C20 | C21 | N4 | H21 | 80.9° | 25.0° |
| N4 | C21 | C22 | H20 | 120.0° | 120.0° |
| C21 | N4 | C26 | H21 | 180.0° | 180.0° |
| N4 | C21 | C22 | C23 | 61.3° | 178.4° |
| N4 | C21 | C22 | C24 | 61.8° | 61.6° |
| N4 | C21 | C22 | C25 | 179.5° | 58.4° |
| C21 | N4 | C26 | O3 | 0.0° | 0.0° |
| C21 | N4 | C26 | C27 | 179.2° | 180.0° |
| C22 | C21 | N4 | C26 | 133.7° | 85.0° |
| C21 | C22 | C23 | C24 | 123.9° | 120.0° |
| C21 | C22 | C23 | C25 | 120.2° | 120.0° |
| C21 | C22 | C24 | C25 | 119.7° | 120.0° |
| C21 | C22 | C24 | H25 | 180.0° | 60.0° |
| C21 | C22 | C24 | H26 | 60.0° | 180.0° |
| C21 | C22 | C24 | H27 | 60.0° | 60.0° |
| C21 | C22 | C23 | H23 | 180.0° | 62.2° |
| C21 | C22 | C23 | H24 | 60.0° | 177.8° |
| C21 | C22 | C23 | H22 | 60.0° | 57.8° |
| C21 | C22 | C25 | H28 | 180.0° | 60.0° |
| C21 | C22 | C25 | H30 | 60.0° | 180.0° |
| C21 | C22 | C25 | H29 | 60.0° | 60.0° |
| C22 | C21 | N4 | H21 | 46.3° | 95.0° |
| N4 | C26 | O3 | C27 | 179.3° | 180.0° |
| N4 | C26 | C27 | F2 | 60.6° | 180.0° |
| N4 | C26 | C27 | F3 | 178.0° | 60.0° |
| N4 | C26 | C27 | F4 | 58.9° | 60.0° |
| C26 | N4 | C21 | H20 | 14.4° | 35.0° |
| C23 | C22 | C24 | C25 | 114.8° | 120.0° |
| C23 | C22 | C21 | H20 | 178.8° | 58.4° |
| C23 | C22 | C24 | H25 | 54.5° | 60.0° |
| C23 | C22 | C24 | H26 | 174.5° | 60.0° |
| C23 | C22 | C24 | H27 | 65.5° | 180.0° |
| C22 | C23 | H23 | H24 | 120.0° | 120.0° |
| C22 | C23 | H23 | H22 | 120.0° | 120.0° |
| C22 | C23 | H24 | H22 | 120.0° | 119.9° |
| C23 | C22 | C25 | H28 | 57.2° | 180.0° |
| C23 | C22 | C25 | H30 | 62.8° | 60.0° |
| C23 | C22 | C25 | H29 | 177.2° | 60.0° |
| C24 | C22 | C21 | H20 | 58.2° | 178.4° |
| C22 | C24 | H25 | H26 | 120.0° | 120.0° |
| C22 | C24 | H25 | H27 | 120.0° | 120.0° |
| C22 | C24 | H26 | H27 | 120.0° | 120.0° |
| C24 | C22 | C23 | H23 | 56.1° | 177.8° |
| C24 | C22 | C23 | H24 | 63.9° | 57.8° |
| C24 | C22 | C23 | H22 | 176.1° | 62.2° |
| C24 | C22 | C25 | H28 | 59.5° | 60.0° |
| C24 | C22 | C25 | H30 | 179.5° | 60.0° |
| C24 | C22 | C25 | H29 | 60.5° | 180.0° |
| C25 | C22 | C21 | H20 | 60.5° | 61.6° |
| C25 | C22 | C24 | H25 | 60.3° | 180.0° |
| C25 | C22 | C24 | H26 | 59.7° | 60.0° |
| C25 | C22 | C24 | H27 | 179.7° | 60.0° |
| C25 | C22 | C23 | H23 | 59.8° | 57.8° |
| C25 | C22 | C23 | H24 | 179.8° | 62.2° |
| C25 | C22 | C23 | H22 | 60.2° | 177.8° |
| C22 | C25 | H28 | H30 | 120.0° | 120.1° |
| C22 | C25 | H28 | H29 | 120.0° | 120.0° |
| C22 | C25 | H30 | H29 | 120.0° | 120.0° |
| O3 | C26 | C27 | F2 | 120.1° | 0.0° |
| O3 | C26 | C27 | F3 | 1.4° | 120.0° |
| O3 | C26 | C27 | F4 | 120.4° | 120.0° |
| O3 | C26 | N4 | H21 | 179.9° | 180.0° |
| C26 | C27 | F2 | F3 | 124.3° | 120.0° |
| C26 | C27 | F2 | F4 | 121.2° | 120.0° |
| C26 | C27 | F3 | F4 | 120.9° | 120.0° |
| C27 | C26 | N4 | H21 | 0.8° | 0.0° |
| F2 | C27 | F3 | F4 | 114.6° | 120.0° |
| H1 | C4 | C5 | H2 | 0.4° | 0.1° |
| H2 | C5 | C6 | H3 | 0.1° | 0.1° |
| H6 | C10 | C11 | H7 | 151.9° | 60.0° |
| H6 | C10 | N2 | H8 | 135.5° | 145.0° |
| H9 | C13 | C16 | H13 | 93.7° | 78.2° |
| H12 | C15 | C14 | H11 | 86.4° | 77.6° |
| H12 | C15 | C14 | H10 | 36.1° | 44.8° |
| H12 | C15 | C16 | H13 | 1.0° | 0.7° |
| H20 | C21 | N4 | H21 | 165.6° | 145.0° |
| H25 | C24 | H26 | H27 | 120.0° | 120.0° |
| H7 | C11 | N5 | H31 | 0.0° | 0.0° |
| H16 | C18 | H14 | H15 | 120.0° | 120.0° |
| H18 | C19 | H19 | H17 | 120.0° | 120.0° |
| H23 | C23 | H24 | H22 | 120.0° | 120.1° |
| H28 | C25 | H30 | H29 | 120.0° | 119.9° |
