A1AS2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C24 | sing | 1.51Å | 1.54Å | |
| C1 | F2 | sing | 1.40Å | 1.33Å | |
| C1 | F3 | sing | 1.40Å | 1.34Å | |
| C1 | F4 | sing | 1.40Å | 1.32Å | |
| C2 | C3 | doub | 1.42Å | 1.44Å | Aromatic |
| C2 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.45Å | Aromatic |
| C3 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | C11 | sing | 1.51Å | 1.54Å | |
| C5 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| N1 | C6 | doub | 1.31Å | 1.31Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.36Å | Aromatic |
| C7 | F1 | sing | 1.35Å | 1.37Å | |
| C8 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | N3 | sing | 1.46Å | 1.47Å | |
| C12 | N2 | doub | 1.28Å | 1.29Å | |
| N3 | C13 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | O1 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.54Å | 1.53Å | |
| C14 | N4 | sing | 1.48Å | 1.48Å | |
| C15 | C16 | sing | 1.54Å | 1.52Å | |
| C15 | C25 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.54Å | 1.51Å | |
| C16 | C25 | sing | 1.53Å | 1.52Å | |
| C17 | N4 | sing | 1.48Å | 1.49Å | |
| N4 | C18 | sing | 1.35Å | 1.38Å | |
| C18 | O2 | doub | 1.21Å | 1.23Å | |
| C18 | C19 | sing | 1.51Å | 1.55Å | |
| C19 | N5 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| N5 | C24 | sing | 1.35Å | 1.35Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C23 | sing | 1.53Å | 1.54Å | |
| C24 | O3 | doub | 1.21Å | 1.22Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | C27 | sing | 1.53Å | 1.52Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| N5 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C1 | F2 | 113.5° | 109.5° |
| C24 | C1 | F3 | 109.1° | 109.5° |
| C24 | C1 | F4 | 114.2° | 109.5° |
| C1 | C24 | N5 | 124.5° | 120.0° |
| C1 | C24 | O3 | 115.7° | 120.0° |
| F2 | C1 | F3 | 106.2° | 109.5° |
| F2 | C1 | F4 | 105.9° | 109.5° |
| F3 | C1 | F4 | 107.5° | 109.5° |
| C3 | C2 | C6 | 118.0° | 118.6° |
| C3 | C2 | C7 | 118.8° | 119.3° |
| C2 | C3 | C4 | 117.4° | 118.2° |
| C2 | C3 | C10 | 117.2° | 119.6° |
| C6 | C2 | C7 | 123.2° | 122.1° |
| C2 | C6 | N1 | 123.2° | 119.9° |
| C2 | C6 | H2 | 118.4° | 120.0° |
| C2 | C7 | C8 | 122.8° | 119.5° |
| C2 | C7 | F1 | 118.9° | 120.3° |
| C4 | C3 | C10 | 125.4° | 122.2° |
| C3 | C4 | C5 | 117.9° | 118.7° |
| C3 | C4 | C11 | 124.5° | 120.7° |
| C3 | C10 | C9 | 121.4° | 119.5° |
| C3 | C10 | H5 | 119.3° | 120.2° |
| C5 | C4 | C11 | 117.6° | 120.6° |
| C4 | C5 | N1 | 123.7° | 121.8° |
| C4 | C5 | H1 | 118.2° | 119.1° |
| C4 | C11 | C12 | 115.4° | 109.4° |
| C4 | C11 | N3 | 108.8° | 109.5° |
| C4 | C11 | H6 | 106.7° | 109.4° |
| C5 | N1 | C6 | 119.8° | 122.8° |
| N1 | C5 | H1 | 118.1° | 119.1° |
| N1 | C6 | H2 | 118.4° | 120.1° |
| C8 | C7 | F1 | 118.3° | 120.3° |
| C7 | C8 | C9 | 118.6° | 121.1° |
| C7 | C8 | H3 | 120.7° | 119.5° |
| C8 | C9 | C10 | 121.2° | 121.0° |
| C9 | C8 | H3 | 120.7° | 119.4° |
| C8 | C9 | H4 | 119.4° | 119.5° |
| C9 | C10 | H5 | 119.3° | 120.3° |
| C10 | C9 | H4 | 119.4° | 119.5° |
| C12 | C11 | N3 | 111.6° | 109.5° |
| C11 | C12 | N2 | 125.6° | 120.0° |
| C12 | C11 | H6 | 106.6° | 109.4° |
| C11 | C12 | H7 | 117.2° | 120.0° |
| C11 | N3 | C13 | 125.0° | 120.0° |
| C11 | N3 | H9 | 117.5° | 120.0° |
| N3 | C11 | H6 | 107.4° | 109.5° |
| N2 | C12 | H7 | 117.2° | 120.0° |
| C12 | N2 | H8 | 112.0° | 120.0° |
| N3 | C13 | C14 | 114.1° | 120.0° |
| N3 | C13 | O1 | 123.8° | 120.0° |
| C13 | N3 | H9 | 117.5° | 120.0° |
| C14 | C13 | O1 | 122.0° | 120.0° |
| C13 | C14 | C15 | 112.3° | 110.4° |
| C13 | C14 | N4 | 108.8° | 110.4° |
| C13 | C14 | H10 | 109.6° | 110.4° |
| C15 | C14 | N4 | 105.9° | 104.6° |
| C14 | C15 | C16 | 107.3° | 105.0° |
| C14 | C15 | C25 | 124.1° | 118.2° |
| C14 | C15 | H11 | 116.7° | 118.2° |
| C15 | C14 | H10 | 109.7° | 110.4° |
| C14 | N4 | C17 | 110.5° | 104.3° |
| C14 | N4 | C18 | 123.5° | 127.8° |
| N4 | C14 | H10 | 110.5° | 110.6° |
| C16 | C15 | C25 | 59.9° | 59.7° |
| C15 | C16 | C17 | 107.7° | 104.9° |
| C15 | C16 | C25 | 60.3° | 59.7° |
| C16 | C15 | H11 | 116.9° | 121.8° |
| C15 | C16 | H12 | 117.0° | 121.8° |
| C15 | C25 | C16 | 59.8° | 60.6° |
| C15 | C25 | C26 | 118.2° | 117.4° |
| C15 | C25 | C27 | 121.3° | 117.5° |
| C25 | C15 | H11 | 116.8° | 119.5° |
| C17 | C16 | C25 | 123.0° | 118.1° |
| C16 | C17 | N4 | 106.2° | 104.7° |
| C16 | C17 | H13 | 110.3° | 110.4° |
| C16 | C17 | H14 | 110.3° | 110.5° |
| C17 | C16 | H12 | 117.1° | 117.6° |
| C16 | C25 | C26 | 118.3° | 117.5° |
| C16 | C25 | C27 | 120.6° | 117.4° |
| C25 | C16 | H12 | 117.0° | 120.3° |
| C17 | N4 | C18 | 126.0° | 127.9° |
| N4 | C17 | H13 | 110.3° | 110.4° |
| N4 | C17 | H14 | 110.2° | 110.5° |
| N4 | C18 | O2 | 118.2° | 120.0° |
| N4 | C18 | C19 | 126.8° | 120.0° |
| O2 | C18 | C19 | 115.0° | 120.0° |
| C18 | C19 | N5 | 108.8° | 109.5° |
| C18 | C19 | C20 | 114.0° | 109.4° |
| C18 | C19 | H15 | 106.7° | 109.5° |
| N5 | C19 | C20 | 113.0° | 109.5° |
| C19 | N5 | C24 | 136.0° | 120.0° |
| N5 | C19 | H15 | 107.7° | 109.5° |
| C19 | N5 | H16 | 112.0° | 120.0° |
| C19 | C20 | C21 | 111.0° | 109.5° |
| C19 | C20 | C22 | 109.9° | 109.4° |
| C19 | C20 | C23 | 113.2° | 109.5° |
| C20 | C19 | H15 | 106.4° | 109.5° |
| N5 | C24 | O3 | 119.8° | 120.0° |
| C24 | N5 | H16 | 112.0° | 120.0° |
| C21 | C20 | C22 | 108.3° | 109.5° |
| C21 | C20 | C23 | 106.2° | 109.5° |
| C20 | C21 | H18 | 109.5° | 109.5° |
| C20 | C21 | H19 | 109.5° | 109.5° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C22 | C20 | C23 | 108.0° | 109.5° |
| C20 | C22 | H21 | 109.5° | 109.5° |
| C20 | C22 | H20 | 109.5° | 109.5° |
| C20 | C22 | H22 | 109.5° | 109.5° |
| C20 | C23 | H23 | 109.5° | 109.4° |
| C20 | C23 | H25 | 109.5° | 109.5° |
| C20 | C23 | H24 | 109.5° | 109.4° |
| C26 | C25 | C27 | 110.5° | 115.5° |
| C25 | C26 | H28 | 109.5° | 109.5° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H27 | 109.5° | 109.5° |
| C25 | C27 | H30 | 109.5° | 109.4° |
| C25 | C27 | H31 | 109.5° | 109.4° |
| C25 | C27 | H29 | 109.5° | 109.4° |
| H13 | C17 | H14 | 109.5° | 110.3° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H18 | C21 | H17 | 109.4° | 109.4° |
| H19 | C21 | H17 | 109.5° | 109.4° |
| H21 | C22 | H20 | 109.4° | 109.5° |
| H21 | C22 | H22 | 109.5° | 109.4° |
| H20 | C22 | H22 | 109.5° | 109.5° |
| H28 | C26 | H26 | 109.5° | 109.4° |
| H28 | C26 | H27 | 109.4° | 109.5° |
| H26 | C26 | H27 | 109.4° | 109.4° |
| H23 | C23 | H25 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H25 | C23 | H24 | 109.4° | 109.5° |
| H30 | C27 | H31 | 109.4° | 109.5° |
| H30 | C27 | H29 | 109.5° | 109.6° |
| H31 | C27 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C1 | F2 | F3 | 119.8° | 120.0° |
| C24 | C1 | F2 | F4 | 126.0° | 120.0° |
| C24 | C1 | F3 | F4 | 124.3° | 120.0° |
| C1 | C24 | N5 | C19 | 2.5° | 180.0° |
| C1 | C24 | N5 | O3 | 178.6° | 179.9° |
| C1 | C24 | N5 | H16 | 177.5° | 0.0° |
| F2 | C1 | F3 | F4 | 113.0° | 120.0° |
| F2 | C1 | C24 | N5 | 70.9° | 180.0° |
| F2 | C1 | C24 | O3 | 107.8° | 0.0° |
| F3 | C1 | C24 | N5 | 170.9° | 60.1° |
| F3 | C1 | C24 | O3 | 10.5° | 120.0° |
| F4 | C1 | C24 | N5 | 50.5° | 60.0° |
| F4 | C1 | C24 | O3 | 130.8° | 119.9° |
| C3 | C2 | C6 | C7 | 179.9° | 179.9° |
| C2 | C3 | C4 | C10 | 179.6° | 179.9° |
| C2 | C3 | C4 | C5 | 0.9° | 0.2° |
| C2 | C3 | C4 | C11 | 179.4° | 180.0° |
| C3 | C2 | C6 | N1 | 0.4° | 0.0° |
| C3 | C2 | C7 | C8 | 0.1° | 0.0° |
| C3 | C2 | C7 | F1 | 179.8° | 180.0° |
| C2 | C3 | C10 | C9 | 0.3° | 0.0° |
| C3 | C2 | C6 | H2 | 179.6° | 179.9° |
| C2 | C3 | C10 | H5 | 179.7° | 179.9° |
| C6 | C2 | C3 | C4 | 0.4° | 0.1° |
| C6 | C2 | C3 | C10 | 179.9° | 180.0° |
| C2 | C6 | N1 | C5 | 0.7° | 0.0° |
| C2 | C6 | N1 | H2 | 180.0° | 180.0° |
| C6 | C2 | C7 | C8 | 179.8° | 180.0° |
| C6 | C2 | C7 | F1 | 0.1° | 0.1° |
| C7 | C2 | C3 | C4 | 179.7° | 179.9° |
| C7 | C2 | C3 | C10 | 0.0° | 0.1° |
| C7 | C2 | C6 | N1 | 179.5° | 180.0° |
| C2 | C7 | C8 | F1 | 179.8° | 180.0° |
| C2 | C7 | C8 | C9 | 0.1° | 0.1° |
| C7 | C2 | C6 | H2 | 0.5° | 0.0° |
| C2 | C7 | C8 | H3 | 179.9° | 180.0° |
| C3 | C4 | C5 | C11 | 178.6° | 179.8° |
| C3 | C4 | C5 | N1 | 0.7° | 0.1° |
| C4 | C3 | C10 | C9 | 179.9° | 179.9° |
| C3 | C4 | C11 | C12 | 139.9° | 85.1° |
| C3 | C4 | C11 | N3 | 93.9° | 154.9° |
| C3 | C4 | C5 | H1 | 179.3° | 179.9° |
| C4 | C3 | C10 | H5 | 0.1° | 0.0° |
| C3 | C4 | C11 | H6 | 21.7° | 34.8° |
| C10 | C3 | C4 | C5 | 179.5° | 180.0° |
| C10 | C3 | C4 | C11 | 1.0° | 0.1° |
| C3 | C10 | C9 | C8 | 0.4° | 0.0° |
| C3 | C10 | C9 | H5 | 180.0° | 180.0° |
| C3 | C10 | C9 | H4 | 179.6° | 179.9° |
| C4 | C5 | N1 | H1 | 180.0° | 180.0° |
| C4 | C5 | N1 | C6 | 0.2° | 0.0° |
| C5 | C4 | C11 | C12 | 41.6° | 95.1° |
| C5 | C4 | C11 | N3 | 84.6° | 24.9° |
| C5 | C4 | C11 | H6 | 159.8° | 145.0° |
| C11 | C4 | C5 | N1 | 179.3° | 180.0° |
| C4 | C11 | C12 | N3 | 124.8° | 120.0° |
| C4 | C11 | C12 | H6 | 118.2° | 119.9° |
| C4 | C11 | N3 | H6 | 115.1° | 120.0° |
| C4 | C11 | C12 | N2 | 78.1° | 120.0° |
| C4 | C11 | N3 | C13 | 141.0° | 155.0° |
| C4 | C11 | N3 | H9 | 39.0° | 25.0° |
| C11 | C4 | C5 | H1 | 0.7° | 0.1° |
| C4 | C11 | C12 | H7 | 101.9° | 60.0° |
| C5 | N1 | C6 | H2 | 179.3° | 180.0° |
| C6 | N1 | C5 | H1 | 179.8° | 180.0° |
| C7 | C8 | C9 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.3° | 0.1° |
| C7 | C8 | C9 | H4 | 179.7° | 180.0° |
| F1 | C7 | C8 | C9 | 179.7° | 179.9° |
| F1 | C7 | C8 | H3 | 0.3° | 0.0° |
| C8 | C9 | C10 | H4 | 180.0° | 179.9° |
| C8 | C9 | C10 | H5 | 179.5° | 180.0° |
| C10 | C9 | C8 | H3 | 179.6° | 180.0° |
| C12 | C11 | N3 | H6 | 116.5° | 120.0° |
| C11 | C12 | N2 | H7 | 180.0° | 179.9° |
| C12 | C11 | N3 | C13 | 90.6° | 85.0° |
| C12 | C11 | N3 | H9 | 89.4° | 95.0° |
| C11 | C12 | N2 | H8 | 180.0° | 179.9° |
| N3 | C11 | C12 | N2 | 157.0° | 0.0° |
| C11 | N3 | C13 | H9 | 180.0° | 179.9° |
| C11 | N3 | C13 | C14 | 178.3° | 180.0° |
| C11 | N3 | C13 | O1 | 0.2° | 0.0° |
| N3 | C11 | C12 | H7 | 23.0° | 180.0° |
| N2 | C12 | C11 | H6 | 40.1° | 120.1° |
| N3 | C13 | C14 | O1 | 178.5° | 180.0° |
| N3 | C13 | C14 | C15 | 148.7° | 80.0° |
| N3 | C13 | C14 | N4 | 94.4° | 164.8° |
| C13 | N3 | C11 | H6 | 25.9° | 35.0° |
| N3 | C13 | C14 | H10 | 26.5° | 42.3° |
| C13 | C14 | C15 | N4 | 118.6° | 118.8° |
| C13 | C14 | C15 | H10 | 122.1° | 122.3° |
| C13 | C14 | N4 | H10 | 120.4° | 122.4° |
| C13 | C14 | C15 | C16 | 108.3° | 94.9° |
| C13 | C14 | C15 | C25 | 173.2° | 158.3° |
| C13 | C14 | N4 | C17 | 105.2° | 79.2° |
| C13 | C14 | N4 | C18 | 74.2° | 100.8° |
| C14 | C13 | N3 | H9 | 1.7° | 0.0° |
| C13 | C14 | C15 | H11 | 25.1° | 44.7° |
| O1 | C13 | C14 | C15 | 32.8° | 100.0° |
| O1 | C13 | C14 | N4 | 84.1° | 15.2° |
| O1 | C13 | N3 | H9 | 179.8° | 180.0° |
| O1 | C13 | C14 | H10 | 155.0° | 137.7° |
| C15 | C14 | N4 | H10 | 118.7° | 118.8° |
| C14 | C15 | C16 | C25 | 119.9° | 114.2° |
| C14 | C15 | C16 | H11 | 133.2° | 137.8° |
| C14 | C15 | C25 | H11 | 161.7° | 156.7° |
| C14 | C15 | C16 | C17 | 1.5° | 0.0° |
| C15 | C14 | N4 | C17 | 15.8° | 39.6° |
| C15 | C14 | N4 | C18 | 164.9° | 140.4° |
| C14 | C15 | C25 | C26 | 16.8° | 16.1° |
| C14 | C15 | C25 | C27 | 159.2° | 160.8° |
| C14 | C15 | C16 | H12 | 132.9° | 136.9° |
| N4 | C14 | C15 | C16 | 10.3° | 23.9° |
| N4 | C14 | C15 | C25 | 54.6° | 39.5° |
| C14 | N4 | C17 | C16 | 14.9° | 39.6° |
| C14 | N4 | C17 | C18 | 179.3° | 180.0° |
| C14 | N4 | C18 | O2 | 0.4° | 4.3° |
| C14 | N4 | C18 | C19 | 179.6° | 175.7° |
| N4 | C14 | C15 | H11 | 143.7° | 163.5° |
| C14 | N4 | C17 | H13 | 104.6° | 79.2° |
| C14 | N4 | C17 | H14 | 134.4° | 158.5° |
| C16 | C15 | C25 | H11 | 107.1° | 111.7° |
| C15 | C16 | C17 | C25 | 65.6° | 63.3° |
| C15 | C16 | C17 | H12 | 134.4° | 139.1° |
| C15 | C16 | C25 | H12 | 107.2° | 111.5° |
| C15 | C16 | C17 | N4 | 7.9° | 23.8° |
| C16 | C15 | C25 | C26 | 108.1° | 107.7° |
| C16 | C15 | C25 | C27 | 109.6° | 107.6° |
| C15 | C16 | C17 | H13 | 111.6° | 95.0° |
| C15 | C16 | C17 | H14 | 127.3° | 142.8° |
| C16 | C15 | C14 | H10 | 129.5° | 142.8° |
| C15 | C25 | C26 | C27 | 146.1° | 145.4° |
| C15 | C25 | C26 | H28 | 180.0° | 69.4° |
| C15 | C25 | C26 | H26 | 60.0° | 170.7° |
| C15 | C25 | C26 | H27 | 60.0° | 50.7° |
| C25 | C15 | C14 | H10 | 64.6° | 79.4° |
| C15 | C25 | C27 | H30 | 180.0° | 60.0° |
| C15 | C25 | C27 | H31 | 60.0° | 180.0° |
| C15 | C25 | C27 | H29 | 60.0° | 60.1° |
| C17 | C16 | C25 | H12 | 160.0° | 157.0° |
| C16 | C17 | N4 | H13 | 119.5° | 118.8° |
| C16 | C17 | N4 | H14 | 119.5° | 119.0° |
| C16 | C17 | N4 | C18 | 165.8° | 140.4° |
| C17 | C16 | C25 | C26 | 15.2° | 16.1° |
| C17 | C16 | C25 | C27 | 156.5° | 160.8° |
| C17 | C16 | C15 | H11 | 134.7° | 137.9° |
| C16 | C17 | H13 | H14 | 121.5° | 122.4° |
| C25 | C16 | C17 | N4 | 57.7° | 39.4° |
| C16 | C25 | C26 | C27 | 144.9° | 145.4° |
| C25 | C16 | C17 | H13 | 177.2° | 158.2° |
| C25 | C16 | C17 | H14 | 61.7° | 79.5° |
| C16 | C25 | C26 | H28 | 111.0° | 0.1° |
| C16 | C25 | C26 | H26 | 129.0° | 120.1° |
| C16 | C25 | C26 | H27 | 9.0° | 119.9° |
| C16 | C25 | C27 | H30 | 108.8° | 129.3° |
| C16 | C25 | C27 | H31 | 11.1° | 110.7° |
| C16 | C25 | C27 | H29 | 131.1° | 9.2° |
| C17 | N4 | C18 | O2 | 178.8° | 175.7° |
| C17 | N4 | C18 | C19 | 0.3° | 4.3° |
| N4 | C17 | H13 | H14 | 121.5° | 122.3° |
| C17 | N4 | C14 | H10 | 134.5° | 158.4° |
| N4 | C17 | C16 | H12 | 142.3° | 162.9° |
| N4 | C18 | O2 | C19 | 179.2° | 180.0° |
| N4 | C18 | C19 | N5 | 34.7° | 41.8° |
| N4 | C18 | C19 | C20 | 92.3° | 161.8° |
| C18 | N4 | C17 | H13 | 74.7° | 100.8° |
| C18 | N4 | C17 | H14 | 46.3° | 21.5° |
| C18 | N4 | C14 | H10 | 46.2° | 21.6° |
| N4 | C18 | C19 | H15 | 150.6° | 78.2° |
| O2 | C18 | C19 | N5 | 146.1° | 138.2° |
| O2 | C18 | C19 | C20 | 86.9° | 18.3° |
| O2 | C18 | C19 | H15 | 30.2° | 101.8° |
| C18 | C19 | N5 | C20 | 127.6° | 120.0° |
| C18 | C19 | N5 | H15 | 115.2° | 120.0° |
| C18 | C19 | C20 | H15 | 117.3° | 120.0° |
| C18 | C19 | N5 | C24 | 106.6° | 155.1° |
| C18 | C19 | C20 | C21 | 89.0° | 54.4° |
| C18 | C19 | C20 | C22 | 151.2° | 174.4° |
| C18 | C19 | C20 | C23 | 30.3° | 65.6° |
| C18 | C19 | N5 | H16 | 73.5° | 25.0° |
| N5 | C19 | C20 | H15 | 118.0° | 120.0° |
| C19 | N5 | C24 | H16 | 180.0° | 180.0° |
| N5 | C19 | C20 | C21 | 146.2° | 65.6° |
| N5 | C19 | C20 | C22 | 26.4° | 54.5° |
| N5 | C19 | C20 | C23 | 94.5° | 174.4° |
| C19 | N5 | C24 | O3 | 178.9° | 0.1° |
| C20 | C19 | N5 | C24 | 125.9° | 85.0° |
| C19 | C20 | C21 | C22 | 120.7° | 120.0° |
| C19 | C20 | C21 | C23 | 123.5° | 120.0° |
| C19 | C20 | C22 | C23 | 124.0° | 119.9° |
| C19 | C20 | C21 | H18 | 180.0° | 174.1° |
| C19 | C20 | C21 | H19 | 60.0° | 65.9° |
| C19 | C20 | C21 | H17 | 60.0° | 54.1° |
| C19 | C20 | C22 | H21 | 180.0° | 60.1° |
| C19 | C20 | C22 | H20 | 60.0° | 60.0° |
| C19 | C20 | C22 | H22 | 60.0° | 180.0° |
| C19 | C20 | C23 | H23 | 180.0° | 171.8° |
| C19 | C20 | C23 | H25 | 60.0° | 51.8° |
| C19 | C20 | C23 | H24 | 60.0° | 68.2° |
| C20 | C19 | N5 | H16 | 54.1° | 95.0° |
| C24 | N5 | C19 | H15 | 8.7° | 35.0° |
| C21 | C20 | C22 | C23 | 114.6° | 120.0° |
| C20 | C21 | H18 | H19 | 120.0° | 120.1° |
| C20 | C21 | H18 | H17 | 120.0° | 120.0° |
| C20 | C21 | H19 | H17 | 120.0° | 120.0° |
| C21 | C20 | C22 | H21 | 58.6° | 60.0° |
| C21 | C20 | C22 | H20 | 178.6° | 180.0° |
| C21 | C20 | C22 | H22 | 61.4° | 60.0° |
| C21 | C20 | C19 | H15 | 28.3° | 174.4° |
| C21 | C20 | C23 | H23 | 57.9° | 68.2° |
| C21 | C20 | C23 | H25 | 62.1° | 171.8° |
| C21 | C20 | C23 | H24 | 178.0° | 51.8° |
| C22 | C20 | C21 | H18 | 59.3° | 54.1° |
| C22 | C20 | C21 | H19 | 60.8° | 174.1° |
| C22 | C20 | C21 | H17 | 179.3° | 65.9° |
| C20 | C22 | H21 | H20 | 120.0° | 120.1° |
| C20 | C22 | H21 | H22 | 120.0° | 120.0° |
| C20 | C22 | H20 | H22 | 120.0° | 120.0° |
| C22 | C20 | C19 | H15 | 91.5° | 65.6° |
| C22 | C20 | C23 | H23 | 58.1° | 51.9° |
| C22 | C20 | C23 | H25 | 178.1° | 68.2° |
| C22 | C20 | C23 | H24 | 62.0° | 171.9° |
| C23 | C20 | C21 | H18 | 56.5° | 65.9° |
| C23 | C20 | C21 | H19 | 176.6° | 54.1° |
| C23 | C20 | C21 | H17 | 63.5° | 174.1° |
| C23 | C20 | C22 | H21 | 56.0° | 180.0° |
| C23 | C20 | C22 | H20 | 64.0° | 59.9° |
| C23 | C20 | C22 | H22 | 176.0° | 60.0° |
| C23 | C20 | C19 | H15 | 147.6° | 54.4° |
| C20 | C23 | H23 | H25 | 120.0° | 120.0° |
| C20 | C23 | H23 | H24 | 120.0° | 119.9° |
| C20 | C23 | H25 | H24 | 120.0° | 120.0° |
| O3 | C24 | N5 | H16 | 1.1° | 180.0° |
| C26 | C25 | C15 | H11 | 144.8° | 140.6° |
| C25 | C26 | H28 | H26 | 120.0° | 120.0° |
| C25 | C26 | H28 | H27 | 120.0° | 120.1° |
| C25 | C26 | H26 | H27 | 120.0° | 120.1° |
| C26 | C25 | C16 | H12 | 144.8° | 140.9° |
| C26 | C25 | C27 | H30 | 35.1° | 85.4° |
| C26 | C25 | C27 | H31 | 155.1° | 34.7° |
| C26 | C25 | C27 | H29 | 84.9° | 154.6° |
| C27 | C25 | C15 | H11 | 2.5° | 4.1° |
| C27 | C25 | C26 | H28 | 33.9° | 145.2° |
| C27 | C25 | C26 | H26 | 86.1° | 25.3° |
| C27 | C25 | C26 | H27 | 153.9° | 94.7° |
| C27 | C25 | C16 | H12 | 3.6° | 3.8° |
| C25 | C27 | H30 | H31 | 120.0° | 120.0° |
| C25 | C27 | H30 | H29 | 120.0° | 120.0° |
| C25 | C27 | H31 | H29 | 120.0° | 119.9° |
| H9 | N3 | C11 | H6 | 154.1° | 145.1° |
| H3 | C8 | C9 | H4 | 0.3° | 0.1° |
| H5 | C10 | C9 | H4 | 0.5° | 0.1° |
| H11 | C15 | C14 | H10 | 97.1° | 77.6° |
| H11 | C15 | C16 | H12 | 0.3° | 1.0° |
| H13 | C17 | C16 | H12 | 22.7° | 44.1° |
| H14 | C17 | C16 | H12 | 98.3° | 78.2° |
| H18 | C21 | H19 | H17 | 120.0° | 119.9° |
| H21 | C22 | H20 | H22 | 120.0° | 119.9° |
| H28 | C26 | H26 | H27 | 119.9° | 119.9° |
| H6 | C11 | C12 | H7 | 139.9° | 60.0° |
| H7 | C12 | N2 | H8 | 0.0° | 0.1° |
| H15 | C19 | N5 | H16 | 171.3° | 145.0° |
| H23 | C23 | H25 | H24 | 120.0° | 120.0° |
| H30 | C27 | H31 | H29 | 119.9° | 120.1° |
