A1ASG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.42Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.43Å | Aromatic |
| C1 | C7 | sing | 1.41Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C9 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.36Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C7 | C10 | sing | 1.51Å | 1.54Å | |
| C8 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| N1 | C9 | doub | 1.31Å | 1.32Å | Aromatic |
| C10 | N2 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| N2 | C12 | sing | 1.35Å | 1.33Å | |
| C11 | N3 | doub | 1.28Å | 1.30Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | O1 | doub | 1.21Å | 1.25Å | |
| C13 | C14 | sing | 1.54Å | 1.53Å | |
| C13 | N4 | sing | 1.48Å | 1.48Å | |
| C14 | C15 | sing | 1.54Å | 1.51Å | |
| C14 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.54Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | N4 | sing | 1.48Å | 1.48Å | |
| N4 | C20 | sing | 1.35Å | 1.39Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | O2 | doub | 1.21Å | 1.22Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C21 | N5 | sing | 1.46Å | 1.46Å | |
| C21 | C22 | sing | 1.53Å | 1.57Å | |
| N5 | C26 | sing | 1.35Å | 1.35Å | |
| 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 | 1.21Å | |
| C26 | C27 | sing | 1.51Å | 1.55Å | |
| C27 | F1 | sing | 1.40Å | 1.34Å | |
| C27 | F2 | sing | 1.40Å | 1.33Å | |
| C27 | F3 | sing | 1.40Å | 1.34Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| N5 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.0° | 119.6° |
| C2 | C1 | C7 | 118.5° | 118.2° |
| C1 | C2 | C3 | 120.1° | 119.4° |
| C1 | C2 | C9 | 116.4° | 118.6° |
| C6 | C1 | C7 | 123.5° | 122.2° |
| C1 | C6 | C5 | 120.5° | 119.5° |
| C1 | C6 | H4 | 119.8° | 120.3° |
| C1 | C7 | C8 | 119.0° | 118.7° |
| C1 | C7 | C10 | 121.1° | 120.6° |
| C3 | C2 | C9 | 123.5° | 122.1° |
| C2 | C3 | C4 | 119.5° | 119.5° |
| C2 | C3 | H1 | 120.3° | 120.3° |
| C2 | C9 | N1 | 124.2° | 119.9° |
| C2 | C9 | H6 | 117.9° | 120.0° |
| C3 | C4 | C5 | 121.1° | 121.1° |
| C3 | C4 | H2 | 119.5° | 119.4° |
| C4 | C3 | H1 | 120.2° | 120.2° |
| C4 | C5 | C6 | 120.8° | 121.0° |
| C5 | C4 | H2 | 119.4° | 119.4° |
| C4 | C5 | H3 | 119.6° | 119.5° |
| C6 | C5 | H3 | 119.6° | 119.5° |
| C5 | C6 | H4 | 119.8° | 120.2° |
| C8 | C7 | C10 | 119.9° | 120.7° |
| C7 | C8 | N1 | 122.2° | 121.9° |
| C7 | C8 | H5 | 118.9° | 119.1° |
| C7 | C10 | N2 | 109.0° | 109.5° |
| C7 | C10 | C11 | 118.1° | 109.5° |
| C7 | C10 | H7 | 105.2° | 109.5° |
| C8 | N1 | C9 | 119.7° | 122.8° |
| N1 | C8 | H5 | 118.9° | 119.1° |
| N1 | C9 | H6 | 117.9° | 120.1° |
| N2 | C10 | C11 | 112.3° | 109.5° |
| C10 | N2 | C12 | 125.9° | 120.0° |
| N2 | C10 | H7 | 105.9° | 109.4° |
| C10 | N2 | H8 | 117.0° | 120.0° |
| C10 | C11 | N3 | 125.8° | 120.0° |
| C11 | C10 | H7 | 105.2° | 109.4° |
| C10 | C11 | H9 | 117.1° | 120.0° |
| N2 | C12 | C13 | 114.0° | 120.0° |
| N2 | C12 | O1 | 121.7° | 120.0° |
| C12 | N2 | H8 | 117.1° | 120.0° |
| C11 | N3 | H10 | 112.0° | 120.0° |
| N3 | C11 | H9 | 117.1° | 120.0° |
| C13 | C12 | O1 | 124.4° | 120.0° |
| C12 | C13 | C14 | 112.2° | 110.4° |
| C12 | C13 | N4 | 111.8° | 110.4° |
| C12 | C13 | H11 | 108.8° | 110.5° |
| C14 | C13 | N4 | 105.7° | 104.6° |
| C13 | C14 | C15 | 106.6° | 105.0° |
| C13 | C14 | C17 | 123.6° | 118.1° |
| C14 | C13 | H11 | 108.8° | 110.4° |
| C13 | C14 | H12 | 117.0° | 117.6° |
| C13 | N4 | C16 | 110.2° | 104.3° |
| C13 | N4 | C20 | 120.1° | 127.8° |
| N4 | C13 | H11 | 109.5° | 110.5° |
| C15 | C14 | C17 | 59.8° | 59.7° |
| C14 | C15 | C16 | 108.3° | 105.0° |
| C14 | C15 | C17 | 60.6° | 59.7° |
| C14 | C15 | H13 | 118.0° | 123.2° |
| C15 | C14 | H12 | 117.3° | 121.8° |
| C14 | C17 | C15 | 59.5° | 60.6° |
| C14 | C17 | C18 | 117.7° | 117.4° |
| C14 | C17 | C19 | 123.3° | 117.4° |
| C17 | C14 | H12 | 117.0° | 120.3° |
| C16 | C15 | C17 | 119.9° | 118.1° |
| C15 | C16 | N4 | 105.7° | 104.6° |
| C16 | C15 | H13 | 117.9° | 117.6° |
| C15 | C16 | H14 | 110.4° | 110.4° |
| C15 | C16 | H15 | 110.4° | 110.4° |
| C15 | C17 | C18 | 116.9° | 117.4° |
| C15 | C17 | C19 | 121.3° | 117.5° |
| C17 | C15 | H13 | 118.0° | 119.6° |
| C16 | N4 | C20 | 129.7° | 127.8° |
| N4 | C16 | H14 | 110.4° | 110.4° |
| N4 | C16 | H15 | 110.4° | 110.4° |
| N4 | C20 | O2 | 123.0° | 120.0° |
| N4 | C20 | C21 | 125.9° | 120.0° |
| C18 | C17 | C19 | 110.1° | 115.5° |
| C17 | C18 | H17 | 109.5° | 109.5° |
| C17 | C18 | H18 | 109.4° | 109.5° |
| C17 | C18 | H16 | 109.5° | 109.5° |
| C17 | C19 | H21 | 109.5° | 109.5° |
| C17 | C19 | H19 | 109.5° | 109.5° |
| C17 | C19 | H20 | 109.5° | 109.5° |
| O2 | C20 | C21 | 111.1° | 120.0° |
| C20 | C21 | N5 | 104.7° | 109.5° |
| C20 | C21 | C22 | 115.2° | 109.5° |
| C20 | C21 | H22 | 105.2° | 109.4° |
| N5 | C21 | C22 | 119.8° | 109.5° |
| C21 | N5 | C26 | 138.2° | 120.0° |
| N5 | C21 | H22 | 106.0° | 109.5° |
| C21 | N5 | H23 | 110.9° | 120.0° |
| C21 | C22 | C23 | 111.5° | 109.4° |
| C21 | C22 | C24 | 107.0° | 109.5° |
| C21 | C22 | C25 | 116.5° | 109.5° |
| C22 | C21 | H22 | 104.8° | 109.5° |
| N5 | C26 | O3 | 118.4° | 120.0° |
| N5 | C26 | C27 | 127.2° | 120.0° |
| C26 | N5 | H23 | 110.9° | 120.0° |
| C23 | C22 | C24 | 108.8° | 109.5° |
| C23 | C22 | C25 | 108.5° | 109.5° |
| C22 | C23 | H25 | 109.5° | 109.5° |
| C22 | C23 | H24 | 109.4° | 109.4° |
| C22 | C23 | H26 | 109.4° | 109.5° |
| C24 | C22 | C25 | 104.0° | 109.5° |
| C22 | C24 | H28 | 109.5° | 109.5° |
| C22 | C24 | H29 | 109.5° | 109.5° |
| C22 | C24 | H27 | 109.5° | 109.5° |
| C22 | C25 | H31 | 109.5° | 109.4° |
| C22 | C25 | H30 | 109.5° | 109.5° |
| C22 | C25 | H32 | 109.5° | 109.5° |
| O3 | C26 | C27 | 114.3° | 120.0° |
| C26 | C27 | F1 | 114.7° | 109.5° |
| C26 | C27 | F2 | 114.4° | 109.4° |
| C26 | C27 | F3 | 108.4° | 109.5° |
| F1 | C27 | F2 | 106.8° | 109.5° |
| F1 | C27 | F3 | 106.0° | 109.5° |
| F2 | C27 | F3 | 105.9° | 109.5° |
| H28 | C24 | H29 | 109.5° | 109.4° |
| H28 | C24 | H27 | 109.5° | 109.5° |
| H29 | C24 | H27 | 109.4° | 109.4° |
| H14 | C16 | H15 | 109.5° | 110.5° |
| H17 | C18 | H18 | 109.5° | 109.4° |
| H17 | C18 | H16 | 109.5° | 109.5° |
| H18 | C18 | H16 | 109.5° | 109.4° |
| H21 | C19 | H19 | 109.5° | 109.5° |
| H21 | C19 | H20 | 109.5° | 109.4° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H25 | C23 | H24 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H24 | C23 | H26 | 109.5° | 109.4° |
| H31 | C25 | H30 | 109.4° | 109.4° |
| H31 | C25 | H32 | 109.5° | 109.5° |
| H30 | C25 | H32 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 179.2° | 179.9° |
| C1 | C2 | C3 | C9 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C2 | C1 | C7 | C8 | 2.2° | 0.1° |
| C2 | C1 | C7 | C10 | 178.7° | 180.0° |
| C1 | C2 | C9 | N1 | 1.4° | 0.0° |
| C2 | C1 | C6 | H4 | 179.4° | 180.0° |
| C1 | C2 | C3 | H1 | 179.1° | 180.0° |
| C1 | C2 | C9 | H6 | 178.5° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | C9 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | H4 | 180.0° | 179.9° |
| C6 | C1 | C7 | C8 | 178.6° | 180.0° |
| C6 | C1 | C7 | C10 | 2.1° | 0.1° |
| C1 | C6 | C5 | H3 | 179.6° | 179.9° |
| C7 | C1 | C2 | C3 | 179.4° | 179.9° |
| C7 | C1 | C2 | C9 | 0.8° | 0.0° |
| C7 | C1 | C6 | C5 | 178.6° | 180.0° |
| C1 | C7 | C8 | C10 | 176.6° | 179.9° |
| C1 | C7 | C8 | N1 | 1.7° | 0.1° |
| C1 | C7 | C10 | N2 | 97.9° | 154.9° |
| C1 | C7 | C10 | C11 | 132.3° | 85.1° |
| C7 | C1 | C6 | H4 | 1.4° | 0.1° |
| C1 | C7 | C8 | H5 | 178.3° | 180.0° |
| C1 | C7 | C10 | H7 | 15.4° | 34.9° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.1° | 0.0° |
| C3 | C2 | C9 | N1 | 178.4° | 180.0° |
| C2 | C3 | C4 | H2 | 178.9° | 180.0° |
| C3 | C2 | C9 | H6 | 1.6° | 0.1° |
| C9 | C2 | C3 | C4 | 179.2° | 179.9° |
| C2 | C9 | N1 | C8 | 2.1° | 0.0° |
| C2 | C9 | N1 | H6 | 180.0° | 179.9° |
| C9 | C2 | C3 | H1 | 0.8° | 0.1° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C5 | H3 | 179.6° | 179.9° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | H4 | 179.5° | 180.0° |
| C5 | C4 | C3 | H1 | 178.9° | 180.0° |
| C6 | C5 | C4 | H2 | 179.6° | 180.0° |
| C7 | C8 | N1 | H5 | 180.0° | 179.9° |
| C7 | C8 | N1 | C9 | 0.5° | 0.0° |
| C8 | C7 | C10 | N2 | 78.6° | 25.0° |
| C8 | C7 | C10 | C11 | 51.2° | 95.0° |
| C8 | C7 | C10 | H7 | 168.1° | 145.0° |
| C10 | C7 | C8 | N1 | 178.2° | 180.0° |
| C7 | C10 | N2 | C11 | 132.9° | 120.0° |
| C7 | C10 | N2 | H7 | 112.8° | 120.1° |
| C7 | C10 | C11 | H7 | 117.0° | 120.1° |
| C7 | C10 | N2 | C12 | 151.1° | 155.0° |
| C7 | C10 | C11 | N3 | 62.5° | 120.0° |
| C10 | C7 | C8 | H5 | 1.8° | 0.1° |
| C7 | C10 | C11 | H9 | 117.5° | 60.0° |
| C7 | C10 | N2 | H8 | 28.9° | 25.0° |
| C8 | N1 | C9 | H6 | 177.9° | 180.0° |
| C9 | N1 | C8 | H5 | 179.5° | 180.0° |
| N2 | C10 | C11 | H7 | 114.8° | 119.9° |
| C10 | N2 | C12 | H8 | 180.0° | 180.0° |
| N2 | C10 | C11 | N3 | 169.2° | 0.0° |
| C10 | N2 | C12 | C13 | 177.2° | 180.0° |
| C10 | N2 | C12 | O1 | 3.4° | 0.1° |
| N2 | C10 | C11 | H9 | 10.7° | 180.0° |
| C11 | C10 | N2 | C12 | 76.0° | 84.9° |
| C10 | C11 | N3 | H9 | 180.0° | 180.0° |
| C10 | C11 | N3 | H10 | 0.0° | 0.0° |
| C11 | C10 | N2 | H8 | 104.0° | 95.0° |
| N2 | C12 | C13 | O1 | 179.3° | 179.9° |
| N2 | C12 | C13 | C14 | 154.1° | 80.0° |
| N2 | C12 | C13 | N4 | 87.3° | 164.8° |
| C12 | N2 | C10 | H7 | 38.3° | 35.0° |
| N2 | C12 | C13 | H11 | 33.6° | 42.3° |
| N3 | C11 | C10 | H7 | 54.4° | 120.0° |
| C12 | C13 | C14 | N4 | 122.1° | 118.8° |
| C12 | C13 | C14 | H11 | 120.4° | 122.4° |
| C12 | C13 | N4 | H11 | 120.6° | 122.5° |
| C12 | C13 | C14 | C15 | 107.6° | 94.9° |
| C12 | C13 | C14 | C17 | 172.1° | 158.2° |
| C12 | C13 | N4 | C16 | 103.2° | 79.2° |
| C12 | C13 | N4 | C20 | 76.8° | 100.8° |
| C12 | C13 | C14 | H12 | 26.1° | 44.1° |
| C13 | C12 | N2 | H8 | 2.8° | 0.1° |
| O1 | C12 | C13 | C14 | 25.2° | 100.1° |
| O1 | C12 | C13 | N4 | 93.3° | 15.1° |
| O1 | C12 | C13 | H11 | 145.7° | 137.6° |
| O1 | C12 | N2 | H8 | 176.6° | 180.0° |
| C14 | C13 | N4 | H11 | 117.1° | 118.8° |
| C13 | C14 | C15 | C17 | 119.6° | 114.1° |
| C13 | C14 | C15 | H12 | 133.5° | 136.9° |
| C13 | C14 | C17 | H12 | 161.9° | 157.0° |
| C13 | C14 | C15 | C16 | 5.0° | 0.0° |
| C14 | C13 | N4 | C16 | 19.2° | 39.6° |
| C14 | C13 | N4 | C20 | 160.8° | 140.4° |
| C13 | C14 | C17 | C18 | 162.9° | 160.8° |
| C13 | C14 | C17 | C19 | 18.9° | 16.2° |
| C13 | C14 | C15 | H13 | 132.4° | 138.3° |
| N4 | C13 | C14 | C15 | 14.5° | 23.9° |
| N4 | C13 | C14 | C17 | 50.0° | 39.5° |
| C13 | N4 | C16 | C15 | 16.0° | 39.6° |
| C13 | N4 | C16 | C20 | 180.0° | 180.0° |
| C13 | N4 | C20 | O2 | 1.0° | 5.8° |
| C13 | N4 | C20 | C21 | 178.9° | 174.1° |
| N4 | C13 | C14 | H12 | 148.2° | 162.9° |
| C13 | N4 | C16 | H14 | 103.4° | 79.2° |
| C13 | N4 | C16 | H15 | 135.4° | 158.3° |
| C15 | C14 | C17 | H12 | 107.5° | 111.4° |
| C14 | C15 | C16 | C17 | 66.1° | 63.3° |
| C14 | C15 | C16 | H13 | 137.4° | 141.1° |
| C14 | C15 | C17 | H13 | 108.2° | 113.4° |
| C14 | C15 | C16 | N4 | 6.4° | 23.9° |
| C15 | C14 | C17 | C18 | 106.5° | 107.7° |
| C15 | C14 | C17 | C19 | 109.6° | 107.7° |
| C15 | C14 | C13 | H11 | 132.0° | 142.7° |
| C14 | C15 | C16 | H14 | 113.0° | 94.9° |
| C14 | C15 | C16 | H15 | 125.8° | 142.6° |
| C14 | C17 | C18 | C19 | 148.5° | 145.3° |
| C17 | C14 | C13 | H11 | 67.5° | 79.4° |
| C14 | C17 | C18 | H17 | 180.0° | 60.6° |
| C14 | C17 | C18 | H18 | 60.0° | 59.3° |
| C14 | C17 | C18 | H16 | 60.0° | 179.3° |
| C14 | C17 | C19 | H21 | 180.0° | 154.7° |
| C14 | C17 | C19 | H19 | 60.0° | 85.3° |
| C14 | C17 | C19 | H20 | 60.0° | 34.7° |
| C16 | C15 | C17 | H13 | 156.5° | 155.0° |
| C15 | C16 | N4 | H14 | 119.4° | 118.8° |
| C15 | C16 | N4 | H15 | 119.4° | 118.7° |
| C15 | C16 | N4 | C20 | 164.0° | 140.4° |
| C16 | C15 | C17 | C18 | 156.8° | 160.8° |
| C16 | C15 | C17 | C19 | 17.5° | 16.0° |
| C16 | C15 | C14 | H12 | 138.5° | 136.9° |
| C15 | C16 | H14 | H15 | 121.7° | 122.4° |
| C17 | C15 | C16 | N4 | 59.7° | 39.5° |
| C15 | C17 | C18 | C19 | 143.6° | 145.4° |
| C17 | C15 | C16 | H14 | 179.1° | 158.3° |
| C17 | C15 | C16 | H15 | 59.7° | 79.3° |
| C15 | C17 | C18 | H17 | 112.1° | 8.6° |
| C15 | C17 | C18 | H18 | 7.9° | 128.6° |
| C15 | C17 | C18 | H16 | 127.9° | 111.4° |
| C15 | C17 | C19 | H21 | 108.1° | 85.4° |
| C15 | C17 | C19 | H19 | 131.9° | 154.5° |
| C15 | C17 | C19 | H20 | 12.0° | 34.5° |
| C16 | N4 | C20 | O2 | 179.0° | 174.2° |
| C16 | N4 | C20 | C21 | 1.1° | 5.8° |
| C16 | N4 | C13 | H11 | 136.2° | 158.4° |
| N4 | C16 | C15 | H13 | 143.8° | 165.0° |
| N4 | C16 | H14 | H15 | 121.7° | 122.5° |
| N4 | C20 | O2 | C21 | 179.9° | 180.0° |
| N4 | C20 | C21 | N5 | 42.0° | 34.9° |
| N4 | C20 | C21 | C22 | 91.7° | 154.9° |
| C20 | N4 | C13 | H11 | 43.8° | 21.6° |
| N4 | C20 | C21 | H22 | 153.4° | 85.1° |
| C20 | N4 | C16 | H14 | 76.6° | 100.8° |
| C20 | N4 | C16 | H15 | 44.6° | 21.7° |
| C18 | C17 | C15 | H13 | 0.3° | 5.8° |
| C18 | C17 | C14 | H12 | 1.0° | 3.8° |
| C17 | C18 | H17 | H18 | 120.0° | 120.0° |
| C17 | C18 | H17 | H16 | 120.0° | 120.0° |
| C17 | C18 | H18 | H16 | 120.0° | 120.0° |
| C18 | C17 | C19 | H21 | 33.6° | 60.0° |
| C18 | C17 | C19 | H19 | 86.3° | 60.0° |
| C18 | C17 | C19 | H20 | 153.7° | 179.9° |
| C19 | C17 | C15 | H13 | 139.0° | 139.0° |
| C19 | C17 | C14 | H12 | 143.0° | 140.9° |
| C19 | C17 | C18 | H17 | 31.5° | 154.0° |
| C19 | C17 | C18 | H18 | 151.5° | 86.0° |
| C19 | C17 | C18 | H16 | 88.5° | 34.0° |
| C17 | C19 | H21 | H19 | 120.0° | 120.0° |
| C17 | C19 | H21 | H20 | 120.0° | 120.0° |
| C17 | C19 | H19 | H20 | 120.0° | 120.0° |
| O2 | C20 | C21 | N5 | 138.0° | 145.1° |
| O2 | C20 | C21 | C22 | 88.3° | 25.1° |
| O2 | C20 | C21 | H22 | 26.5° | 94.9° |
| C20 | C21 | N5 | C22 | 131.1° | 120.0° |
| C20 | C21 | N5 | H22 | 110.9° | 120.0° |
| C20 | C21 | C22 | H22 | 115.1° | 119.9° |
| C20 | C21 | N5 | C26 | 105.6° | 155.0° |
| C20 | C21 | C22 | C23 | 145.6° | 56.5° |
| C20 | C21 | C22 | C24 | 95.5° | 63.5° |
| C20 | C21 | C22 | C25 | 20.3° | 176.4° |
| C20 | C21 | N5 | H23 | 74.4° | 25.0° |
| N5 | C21 | C22 | H22 | 118.6° | 120.0° |
| C21 | N5 | C26 | H23 | 180.0° | 180.0° |
| N5 | C21 | C22 | C23 | 19.3° | 63.5° |
| N5 | C21 | C22 | C24 | 138.2° | 176.5° |
| N5 | C21 | C22 | C25 | 106.0° | 56.4° |
| C21 | N5 | C26 | O3 | 177.6° | 0.1° |
| C21 | N5 | C26 | C27 | 4.7° | 180.0° |
| C22 | C21 | N5 | C26 | 123.3° | 85.0° |
| C21 | C22 | C23 | C24 | 117.8° | 120.0° |
| C21 | C22 | C23 | C25 | 129.6° | 119.9° |
| C21 | C22 | C24 | C25 | 123.9° | 120.0° |
| C21 | C22 | C24 | H28 | 180.0° | 67.2° |
| C21 | C22 | C24 | H29 | 60.0° | 172.8° |
| C21 | C22 | C24 | H27 | 60.0° | 52.8° |
| C21 | C22 | C23 | H25 | 180.0° | 64.4° |
| C21 | C22 | C23 | H24 | 60.0° | 175.6° |
| C21 | C22 | C23 | H26 | 60.0° | 55.6° |
| C21 | C22 | C25 | H31 | 180.0° | 60.1° |
| C21 | C22 | C25 | H30 | 60.0° | 180.0° |
| C21 | C22 | C25 | H32 | 60.0° | 59.9° |
| C22 | C21 | N5 | H23 | 56.7° | 95.0° |
| N5 | C26 | O3 | C27 | 178.0° | 179.9° |
| N5 | C26 | C27 | F1 | 63.4° | 180.0° |
| N5 | C26 | C27 | F2 | 60.6° | 60.0° |
| N5 | C26 | C27 | F3 | 178.5° | 59.9° |
| C26 | N5 | C21 | H22 | 5.3° | 35.0° |
| C23 | C22 | C24 | C25 | 115.5° | 120.0° |
| C23 | C22 | C21 | H22 | 99.3° | 176.4° |
| C23 | C22 | C24 | H28 | 59.3° | 52.7° |
| C23 | C22 | C24 | H29 | 60.7° | 67.3° |
| C23 | C22 | C24 | H27 | 179.4° | 172.8° |
| C22 | C23 | H25 | H24 | 120.0° | 120.0° |
| C22 | C23 | H25 | H26 | 120.0° | 120.0° |
| C22 | C23 | H24 | H26 | 119.9° | 120.0° |
| C23 | C22 | C25 | H31 | 53.2° | 180.0° |
| C23 | C22 | C25 | H30 | 173.2° | 60.1° |
| C23 | C22 | C25 | H32 | 66.8° | 60.0° |
| C24 | C22 | C21 | H22 | 19.6° | 56.4° |
| C22 | C24 | H28 | H29 | 120.0° | 120.0° |
| C22 | C24 | H28 | H27 | 120.0° | 120.0° |
| C22 | C24 | H29 | H27 | 120.0° | 120.0° |
| C24 | C22 | C23 | H25 | 62.2° | 175.6° |
| C24 | C22 | C23 | H24 | 177.8° | 55.6° |
| C24 | C22 | C23 | H26 | 57.8° | 64.4° |
| C24 | C22 | C25 | H31 | 62.5° | 60.0° |
| C24 | C22 | C25 | H30 | 57.4° | 59.9° |
| C24 | C22 | C25 | H32 | 177.5° | 180.0° |
| C25 | C22 | C21 | H22 | 135.4° | 63.6° |
| C25 | C22 | C24 | H28 | 56.1° | 172.7° |
| C25 | C22 | C24 | H29 | 176.1° | 52.8° |
| C25 | C22 | C24 | H27 | 63.9° | 67.2° |
| C25 | C22 | C23 | H25 | 50.4° | 55.5° |
| C25 | C22 | C23 | H24 | 69.7° | 64.5° |
| C25 | C22 | C23 | H26 | 170.4° | 175.6° |
| C22 | C25 | H31 | H30 | 120.0° | 119.9° |
| C22 | C25 | H31 | H32 | 120.0° | 120.0° |
| C22 | C25 | H30 | H32 | 120.0° | 120.1° |
| O3 | C26 | C27 | F1 | 114.4° | 0.1° |
| O3 | C26 | C27 | F2 | 121.7° | 120.1° |
| O3 | C26 | C27 | F3 | 3.8° | 120.0° |
| O3 | C26 | N5 | H23 | 2.4° | 180.0° |
| C26 | C27 | F1 | F2 | 127.9° | 120.0° |
| C26 | C27 | F1 | F3 | 119.5° | 120.0° |
| C26 | C27 | F2 | F3 | 119.3° | 119.9° |
| C27 | C26 | N5 | H23 | 175.3° | 0.1° |
| F1 | C27 | F2 | F3 | 112.7° | 120.1° |
| H10 | N3 | C11 | H9 | 180.0° | 179.9° |
| H2 | C4 | C5 | H3 | 0.4° | 0.1° |
| H2 | C4 | C3 | H1 | 1.1° | 0.0° |
| H3 | C5 | C6 | H4 | 0.5° | 0.0° |
| H7 | C10 | C11 | H9 | 125.5° | 60.1° |
| H7 | C10 | N2 | H8 | 141.7° | 145.1° |
| H11 | C13 | C14 | H12 | 94.4° | 78.3° |
| H13 | C15 | C14 | H12 | 1.1° | 1.5° |
| H13 | C15 | C16 | H14 | 24.4° | 46.2° |
| H13 | C15 | C16 | H15 | 96.8° | 76.2° |
| H22 | C21 | N5 | H23 | 174.7° | 145.0° |
| H28 | C24 | H29 | H27 | 120.0° | 120.0° |
| H17 | C18 | H18 | H16 | 120.0° | 120.0° |
| H21 | C19 | H19 | H20 | 120.0° | 120.0° |
| H25 | C23 | H24 | H26 | 120.0° | 120.0° |
| H31 | C25 | H30 | H32 | 120.0° | 120.0° |
