A1ICS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C11 | doub | 1.30Å | 1.29Å | |
| N4 | C12 | sing | 1.36Å | 1.40Å | |
| C13 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | N3 | sing | 1.36Å | 1.37Å | |
| C12 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| N3 | C18 | sing | 1.35Å | 1.41Å | |
| C17 | C18 | sing | 1.47Å | 1.46Å | |
| C17 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C9 | sing | 1.43Å | 1.42Å | |
| C18 | O4 | doub | 1.22Å | 1.23Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C19 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C7 | N2 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C6 | sing | 1.35Å | 1.34Å | |
| C25 | C24 | doub | 1.38Å | 1.35Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.36Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| O2 | C6 | doub | 1.21Å | 1.24Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| C5 | C21 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C21 | N1 | sing | 1.46Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| N1 | C1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.33Å | 1.36Å | |
| C3 | C2 | sing | 1.50Å | 1.51Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N4 | C12 | 117.1° | 121.6° |
| N4 | C11 | N3 | 125.3° | 123.4° |
| N4 | C11 | H16 | 117.3° | 118.3° |
| N4 | C12 | C13 | 118.7° | 121.6° |
| N4 | C12 | C17 | 122.3° | 119.0° |
| C12 | C13 | C14 | 120.5° | 119.7° |
| C13 | C12 | C17 | 119.0° | 119.3° |
| C12 | C13 | H17 | 119.8° | 120.2° |
| C13 | C14 | C15 | 120.2° | 120.8° |
| C14 | C13 | H17 | 119.7° | 120.1° |
| C13 | C14 | H18 | 119.9° | 119.6° |
| C11 | N3 | C10 | 118.8° | 119.7° |
| C11 | N3 | C18 | 121.9° | 120.6° |
| N3 | C11 | H16 | 117.4° | 118.3° |
| C12 | C17 | C18 | 119.0° | 118.0° |
| C12 | C17 | C16 | 120.3° | 120.1° |
| C14 | C15 | C16 | 120.3° | 120.6° |
| C14 | C15 | H19 | 119.9° | 119.7° |
| C15 | C14 | H18 | 119.9° | 119.6° |
| C10 | N3 | C18 | 119.1° | 119.7° |
| N3 | C10 | C9 | 105.4° | 109.5° |
| N3 | C10 | H15 | 110.5° | 109.5° |
| N3 | C10 | H14 | 110.5° | 109.4° |
| N3 | C18 | C17 | 114.2° | 117.4° |
| N3 | C18 | O4 | 121.7° | 121.3° |
| C18 | C17 | C16 | 120.7° | 121.9° |
| C17 | C18 | O4 | 124.2° | 121.3° |
| C17 | C16 | C15 | 119.7° | 119.5° |
| C17 | C16 | H20 | 120.1° | 120.2° |
| C10 | C9 | O3 | 105.2° | 109.5° |
| C10 | C9 | C8 | 113.4° | 109.5° |
| C10 | C9 | C19 | 115.6° | 109.5° |
| C9 | C10 | H15 | 110.5° | 109.5° |
| C9 | C10 | H14 | 110.5° | 109.5° |
| C16 | C15 | H19 | 119.8° | 119.7° |
| C15 | C16 | H20 | 120.1° | 120.3° |
| O3 | C9 | C8 | 103.1° | 109.5° |
| O3 | C9 | C19 | 108.7° | 109.4° |
| C9 | O3 | H13 | 109.5° | 114.0° |
| C8 | C9 | C19 | 109.8° | 109.6° |
| C9 | C8 | C7 | 112.7° | 109.3° |
| C9 | C8 | H12 | 108.6° | 109.5° |
| C9 | C8 | H11 | 108.7° | 109.5° |
| C9 | C19 | C20 | 113.9° | 109.3° |
| C9 | C19 | H21 | 108.3° | 109.5° |
| C9 | C19 | H22 | 108.4° | 109.5° |
| C8 | C7 | N2 | 110.6° | 108.8° |
| C8 | C7 | H10 | 109.2° | 109.6° |
| C8 | C7 | H9 | 109.2° | 109.7° |
| C7 | C8 | H12 | 108.7° | 109.5° |
| C7 | C8 | H11 | 108.6° | 109.5° |
| C7 | N2 | C20 | 113.6° | 118.8° |
| C7 | N2 | C6 | 118.8° | 120.6° |
| N2 | C7 | H10 | 109.2° | 109.6° |
| N2 | C7 | H9 | 109.2° | 109.5° |
| C19 | C20 | N2 | 111.3° | 108.8° |
| C19 | C20 | H23 | 109.0° | 109.6° |
| C19 | C20 | H24 | 109.0° | 109.7° |
| C20 | C19 | H21 | 108.3° | 109.5° |
| C20 | C19 | H22 | 108.3° | 109.5° |
| C20 | N2 | C6 | 127.6° | 120.6° |
| N2 | C20 | H23 | 109.0° | 109.6° |
| N2 | C20 | H24 | 109.0° | 109.6° |
| N2 | C6 | O2 | 114.7° | 120.0° |
| N2 | C6 | C5 | 128.9° | 120.0° |
| C24 | C25 | C26 | 119.3° | 120.0° |
| C25 | C24 | C23 | 120.5° | 120.0° |
| C25 | C24 | H27 | 119.7° | 120.0° |
| C24 | C25 | H28 | 120.4° | 120.0° |
| C25 | C26 | C27 | 120.5° | 120.0° |
| C25 | C26 | H29 | 119.7° | 120.1° |
| C26 | C25 | H28 | 120.4° | 120.0° |
| C24 | C23 | C22 | 121.2° | 120.0° |
| C23 | C24 | H27 | 119.8° | 120.0° |
| C24 | C23 | H26 | 119.4° | 120.0° |
| C26 | C27 | C22 | 121.2° | 120.0° |
| C27 | C26 | H29 | 119.8° | 120.0° |
| C26 | C27 | H30 | 119.4° | 120.0° |
| O2 | C6 | C5 | 116.4° | 120.0° |
| C6 | C5 | C21 | 117.2° | 109.6° |
| C6 | C5 | C4 | 116.3° | 109.7° |
| C6 | C5 | H8 | 104.9° | 109.7° |
| C23 | C22 | C27 | 117.3° | 120.0° |
| C23 | C22 | C21 | 124.3° | 120.0° |
| C22 | C23 | H26 | 119.4° | 120.0° |
| C27 | C22 | C21 | 118.3° | 120.0° |
| C22 | C27 | H30 | 119.4° | 120.1° |
| C22 | C21 | C5 | 115.8° | 109.3° |
| C22 | C21 | N1 | 115.3° | 109.3° |
| C22 | C21 | H25 | 106.3° | 109.1° |
| C21 | C5 | C4 | 107.4° | 108.7° |
| C5 | C21 | N1 | 105.9° | 110.5° |
| C21 | C5 | H8 | 104.8° | 109.6° |
| C5 | C21 | H25 | 106.1° | 109.3° |
| C5 | C4 | C3 | 107.0° | 108.3° |
| C5 | C4 | H7 | 110.1° | 109.6° |
| C5 | C4 | H6 | 110.1° | 109.9° |
| C4 | C5 | H8 | 104.9° | 109.5° |
| C21 | N1 | C1 | 120.1° | 117.9° |
| C21 | N1 | C2 | 120.1° | 124.1° |
| N1 | C21 | H25 | 106.8° | 109.3° |
| C4 | C3 | C2 | 117.7° | 109.9° |
| C3 | C4 | H7 | 110.1° | 109.7° |
| C3 | C4 | H6 | 110.1° | 109.7° |
| C4 | C3 | H5 | 107.4° | 109.4° |
| C4 | C3 | H4 | 107.4° | 109.4° |
| C1 | N1 | C2 | 119.7° | 118.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.4° | 109.4° |
| N1 | C2 | C3 | 120.8° | 123.5° |
| N1 | C2 | O1 | 120.8° | 118.2° |
| C3 | C2 | O1 | 118.4° | 118.2° |
| C2 | C3 | H5 | 107.4° | 109.5° |
| C2 | C3 | H4 | 107.4° | 109.3° |
| H7 | C4 | H6 | 109.5° | 109.6° |
| H10 | C7 | H9 | 109.5° | 109.6° |
| H12 | C8 | H11 | 109.5° | 109.4° |
| H15 | C10 | H14 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.4° | 109.6° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C3 | H4 | 109.5° | 109.3° |
| H21 | C19 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N4 | C12 | C13 | 179.3° | 180.0° |
| N4 | C11 | N3 | H16 | 180.0° | 179.9° |
| C11 | N4 | C12 | C17 | 0.9° | 0.0° |
| N4 | C11 | N3 | C10 | 180.0° | 180.0° |
| N4 | C11 | N3 | C18 | 5.8° | 0.3° |
| N4 | C12 | C13 | C17 | 179.8° | 180.0° |
| N4 | C12 | C13 | C14 | 178.4° | 180.0° |
| C12 | N4 | C11 | N3 | 3.9° | 0.1° |
| N4 | C12 | C17 | C18 | 0.3° | 0.2° |
| N4 | C12 | C17 | C16 | 179.7° | 179.8° |
| N4 | C12 | C13 | H17 | 1.6° | 0.0° |
| C12 | N4 | C11 | H16 | 176.1° | 180.0° |
| C12 | C13 | C14 | H17 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 2.2° | 0.0° |
| C13 | C12 | C17 | C18 | 179.5° | 179.8° |
| C13 | C12 | C17 | C16 | 0.1° | 0.2° |
| C12 | C13 | C14 | H18 | 177.8° | 180.0° |
| C14 | C13 | C12 | C17 | 1.4° | 0.0° |
| C13 | C14 | C15 | H18 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.7° | 0.2° |
| C13 | C14 | C15 | H19 | 178.3° | 179.8° |
| C11 | N3 | C10 | C18 | 174.3° | 179.7° |
| C11 | N3 | C18 | C17 | 4.0° | 0.5° |
| C11 | N3 | C10 | C9 | 83.7° | 89.7° |
| C11 | N3 | C18 | O4 | 176.0° | 179.7° |
| C11 | N3 | C10 | H15 | 156.9° | 30.3° |
| C11 | N3 | C10 | H14 | 35.7° | 150.3° |
| C12 | C17 | C18 | N3 | 1.2° | 0.5° |
| C12 | C17 | C18 | C16 | 179.4° | 179.6° |
| C12 | C17 | C16 | C15 | 0.3° | 0.4° |
| C12 | C17 | C18 | O4 | 178.8° | 179.8° |
| C17 | C12 | C13 | H17 | 178.6° | 179.9° |
| C12 | C17 | C16 | H20 | 179.7° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.4° |
| C14 | C15 | C16 | H19 | 180.0° | 179.6° |
| C15 | C14 | C13 | H17 | 177.8° | 180.0° |
| C14 | C15 | C16 | H20 | 179.6° | 180.0° |
| C10 | N3 | C18 | C17 | 178.2° | 179.8° |
| N3 | C10 | C9 | H15 | 119.4° | 120.1° |
| N3 | C10 | C9 | H14 | 119.4° | 119.9° |
| N3 | C10 | C9 | O3 | 48.3° | 60.0° |
| C10 | N3 | C18 | O4 | 1.8° | 0.1° |
| N3 | C10 | C9 | C8 | 160.2° | 180.0° |
| N3 | C10 | C9 | C19 | 71.7° | 59.9° |
| N3 | C10 | H15 | H14 | 121.9° | 120.0° |
| C10 | N3 | C11 | H16 | 0.0° | 0.0° |
| N3 | C18 | C17 | O4 | 180.0° | 179.7° |
| N3 | C18 | C17 | C16 | 178.1° | 179.9° |
| C18 | N3 | C10 | C9 | 90.6° | 90.0° |
| C18 | N3 | C10 | H15 | 28.7° | 150.0° |
| C18 | N3 | C10 | H14 | 150.0° | 30.0° |
| C18 | N3 | C11 | H16 | 174.2° | 179.7° |
| C18 | C17 | C16 | C15 | 179.0° | 180.0° |
| C18 | C17 | C16 | H20 | 1.0° | 0.4° |
| C17 | C16 | C15 | H20 | 180.0° | 179.6° |
| C16 | C17 | C18 | O4 | 1.9° | 0.2° |
| C17 | C16 | C15 | H19 | 179.6° | 180.0° |
| C10 | C9 | O3 | C8 | 119.1° | 120.0° |
| C10 | C9 | O3 | C19 | 124.4° | 119.9° |
| C10 | C9 | C8 | C19 | 131.0° | 120.0° |
| C10 | C9 | C8 | C7 | 177.6° | 178.6° |
| C10 | C9 | C19 | C20 | 178.1° | 178.6° |
| C10 | C9 | C8 | H12 | 62.0° | 58.6° |
| C10 | C9 | C8 | H11 | 57.1° | 61.4° |
| C9 | C10 | H15 | H14 | 121.8° | 120.0° |
| C10 | C9 | O3 | H13 | 180.0° | 60.0° |
| C10 | C9 | C19 | H21 | 61.2° | 61.4° |
| C10 | C9 | C19 | H22 | 57.4° | 58.7° |
| C16 | C15 | C14 | H18 | 178.3° | 179.8° |
| O3 | C9 | C8 | C19 | 115.8° | 120.0° |
| O3 | C9 | C8 | C7 | 64.3° | 58.7° |
| O3 | C9 | C19 | C20 | 63.9° | 58.7° |
| O3 | C9 | C8 | H12 | 175.2° | 61.3° |
| O3 | C9 | C8 | H11 | 56.2° | 178.6° |
| O3 | C9 | C10 | H15 | 167.6° | 180.0° |
| O3 | C9 | C10 | H14 | 71.1° | 60.0° |
| O3 | C9 | C19 | H21 | 56.8° | 178.6° |
| O3 | C9 | C19 | H22 | 175.5° | 61.3° |
| C9 | C8 | C7 | H12 | 120.5° | 120.0° |
| C9 | C8 | C7 | H11 | 120.5° | 120.0° |
| C9 | C8 | C7 | N2 | 56.4° | 54.6° |
| C8 | C9 | C19 | C20 | 48.3° | 61.3° |
| C9 | C8 | C7 | H10 | 176.6° | 174.4° |
| C9 | C8 | C7 | H9 | 63.7° | 65.2° |
| C9 | C8 | H12 | H11 | 118.5° | 120.1° |
| C8 | C9 | C10 | H15 | 80.4° | 60.0° |
| C8 | C9 | C10 | H14 | 40.8° | 60.0° |
| C8 | C9 | O3 | H13 | 60.9° | 180.0° |
| C8 | C9 | C19 | H21 | 168.9° | 58.6° |
| C8 | C9 | C19 | H22 | 72.4° | 178.7° |
| C19 | C9 | C8 | C7 | 51.5° | 61.3° |
| C9 | C19 | C20 | H21 | 120.7° | 120.0° |
| C9 | C19 | C20 | H22 | 120.7° | 120.0° |
| C9 | C19 | C20 | N2 | 49.9° | 54.6° |
| C19 | C9 | C8 | H12 | 69.0° | 178.7° |
| C19 | C9 | C8 | H11 | 171.9° | 58.6° |
| C19 | C9 | C10 | H15 | 47.6° | 60.1° |
| C19 | C9 | C10 | H14 | 168.9° | 179.9° |
| C9 | C19 | C20 | H23 | 70.4° | 174.4° |
| C9 | C19 | C20 | H24 | 170.2° | 65.2° |
| C19 | C9 | O3 | H13 | 55.6° | 59.9° |
| C9 | C19 | H21 | H22 | 118.0° | 120.1° |
| C8 | C7 | N2 | H10 | 120.2° | 119.8° |
| C8 | C7 | N2 | H9 | 120.2° | 119.9° |
| C8 | C7 | N2 | C20 | 58.0° | 53.5° |
| C8 | C7 | N2 | C6 | 119.6° | 126.4° |
| C8 | C7 | H10 | H9 | 119.5° | 120.4° |
| C7 | C8 | H12 | H11 | 118.5° | 120.0° |
| C7 | N2 | C20 | C19 | 54.5° | 53.5° |
| C7 | N2 | C20 | C6 | 177.4° | 179.9° |
| C7 | N2 | C6 | O2 | 1.2° | 4.9° |
| C7 | N2 | C6 | C5 | 177.2° | 175.2° |
| N2 | C7 | H10 | H9 | 119.5° | 120.3° |
| N2 | C7 | C8 | H12 | 64.0° | 174.6° |
| N2 | C7 | C8 | H11 | 176.9° | 65.4° |
| C7 | N2 | C20 | H23 | 65.8° | 173.4° |
| C7 | N2 | C20 | H24 | 174.8° | 66.3° |
| C19 | C20 | N2 | H23 | 120.3° | 119.9° |
| C19 | C20 | N2 | H24 | 120.3° | 119.9° |
| C19 | C20 | N2 | C6 | 122.8° | 126.4° |
| C19 | C20 | H23 | H24 | 119.1° | 120.4° |
| C20 | C19 | H21 | H22 | 118.0° | 120.0° |
| C20 | N2 | C6 | O2 | 178.4° | 175.2° |
| C20 | N2 | C6 | C5 | 0.1° | 4.8° |
| C20 | N2 | C7 | H10 | 178.2° | 173.4° |
| C20 | N2 | C7 | H9 | 62.2° | 66.3° |
| N2 | C20 | H23 | H24 | 119.2° | 120.3° |
| N2 | C20 | C19 | H21 | 170.6° | 65.4° |
| N2 | C20 | C19 | H22 | 70.7° | 174.6° |
| N2 | C6 | O2 | C5 | 178.6° | 180.0° |
| N2 | C6 | C5 | C21 | 61.3° | 155.0° |
| N2 | C6 | C5 | C4 | 67.6° | 85.7° |
| N2 | C6 | C5 | H8 | 177.0° | 34.6° |
| C6 | N2 | C7 | H10 | 0.5° | 6.5° |
| C6 | N2 | C7 | H9 | 120.2° | 113.7° |
| C6 | N2 | C20 | H23 | 116.9° | 6.5° |
| C6 | N2 | C20 | H24 | 2.5° | 113.7° |
| C24 | C25 | C26 | H28 | 180.0° | 179.7° |
| C25 | C24 | C23 | H27 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.4° | 0.3° |
| C25 | C24 | C23 | C22 | 0.8° | 0.0° |
| C24 | C25 | C26 | H29 | 179.6° | 179.7° |
| C25 | C24 | C23 | H26 | 179.2° | 180.0° |
| C26 | C25 | C24 | C23 | 0.2° | 0.3° |
| C25 | C26 | C27 | H29 | 180.0° | 180.0° |
| C25 | C26 | C27 | C22 | 0.4° | 0.0° |
| C26 | C25 | C24 | H27 | 179.8° | 179.7° |
| C25 | C26 | C27 | H30 | 179.6° | 180.0° |
| C24 | C23 | C22 | H26 | 180.0° | 180.0° |
| C24 | C23 | C22 | C27 | 0.9° | 0.3° |
| C24 | C23 | C22 | C21 | 178.4° | 180.0° |
| C23 | C24 | C25 | H28 | 179.8° | 180.0° |
| C26 | C27 | C22 | C23 | 0.3° | 0.3° |
| C26 | C27 | C22 | H30 | 180.0° | 179.9° |
| C26 | C27 | C22 | C21 | 179.1° | 180.0° |
| C27 | C26 | C25 | H28 | 179.6° | 180.0° |
| O2 | C6 | C5 | C21 | 117.0° | 25.0° |
| O2 | C6 | C5 | C4 | 114.1° | 94.3° |
| O2 | C6 | C5 | H8 | 1.3° | 145.3° |
| C6 | C5 | C21 | C22 | 26.8° | 69.2° |
| C6 | C5 | C21 | C4 | 133.0° | 119.8° |
| C6 | C5 | C21 | H8 | 115.7° | 120.5° |
| C6 | C5 | C4 | H8 | 115.3° | 120.5° |
| C6 | C5 | C21 | N1 | 155.9° | 170.5° |
| C6 | C5 | C4 | C3 | 164.1° | 172.6° |
| C6 | C5 | C4 | H7 | 44.5° | 52.9° |
| C6 | C5 | C4 | H6 | 76.3° | 67.7° |
| C6 | C5 | C21 | H25 | 90.8° | 50.2° |
| C23 | C22 | C27 | C21 | 179.4° | 179.7° |
| C23 | C22 | C21 | C5 | 44.0° | 100.0° |
| C23 | C22 | C21 | N1 | 80.3° | 139.0° |
| C23 | C22 | C21 | H25 | 161.6° | 19.5° |
| C22 | C23 | C24 | H27 | 179.1° | 180.0° |
| C23 | C22 | C27 | H30 | 179.7° | 179.7° |
| C27 | C22 | C21 | C5 | 135.3° | 79.7° |
| C27 | C22 | C21 | N1 | 100.4° | 41.3° |
| C27 | C22 | C21 | H25 | 17.7° | 160.8° |
| C22 | C27 | C26 | H29 | 179.7° | 180.0° |
| C27 | C22 | C23 | H26 | 179.1° | 179.7° |
| C22 | C21 | C5 | N1 | 129.1° | 120.3° |
| C22 | C21 | C5 | H25 | 117.6° | 119.4° |
| C22 | C21 | C5 | C4 | 159.8° | 171.0° |
| C22 | C21 | N1 | H25 | 117.8° | 119.4° |
| C22 | C21 | N1 | C1 | 13.3° | 40.6° |
| C22 | C21 | N1 | C2 | 168.0° | 139.1° |
| C22 | C21 | C5 | H8 | 88.9° | 51.3° |
| C21 | C22 | C23 | H26 | 1.6° | 0.0° |
| C21 | C22 | C27 | H30 | 0.9° | 0.0° |
| C21 | C5 | C4 | H8 | 111.2° | 119.7° |
| C5 | C21 | N1 | H25 | 112.8° | 120.3° |
| C21 | C5 | C4 | C3 | 62.4° | 67.6° |
| C5 | C21 | N1 | C1 | 142.7° | 161.0° |
| C5 | C21 | N1 | C2 | 38.6° | 18.8° |
| C21 | C5 | C4 | H7 | 178.0° | 172.7° |
| C21 | C5 | C4 | H6 | 57.2° | 52.1° |
| C4 | C5 | C21 | N1 | 71.1° | 50.6° |
| C5 | C4 | C3 | H7 | 119.6° | 119.6° |
| C5 | C4 | C3 | H6 | 119.6° | 119.9° |
| C5 | C4 | C3 | C2 | 23.3° | 49.0° |
| C5 | C4 | H7 | H6 | 121.1° | 120.7° |
| C4 | C5 | C21 | H25 | 42.2° | 69.6° |
| C5 | C4 | C3 | H5 | 97.8° | 71.2° |
| C5 | C4 | C3 | H4 | 144.5° | 169.1° |
| C21 | N1 | C1 | C2 | 178.7° | 179.8° |
| C21 | N1 | C2 | C3 | 0.0° | 2.0° |
| C21 | N1 | C2 | O1 | 178.6° | 178.1° |
| N1 | C21 | C5 | H8 | 40.1° | 69.0° |
| C21 | N1 | C1 | H1 | 180.0° | 179.7° |
| C21 | N1 | C1 | H2 | 60.0° | 60.3° |
| C21 | N1 | C1 | H3 | 60.0° | 59.8° |
| C4 | C3 | C2 | N1 | 8.5° | 17.6° |
| C4 | C3 | C2 | H5 | 121.2° | 120.2° |
| C4 | C3 | C2 | H4 | 121.2° | 120.1° |
| C4 | C3 | C2 | O1 | 172.8° | 162.5° |
| C3 | C4 | H7 | H6 | 121.1° | 120.5° |
| C3 | C4 | C5 | H8 | 48.8° | 52.1° |
| C4 | C3 | H5 | H4 | 116.3° | 119.8° |
| C1 | N1 | C2 | C3 | 178.8° | 177.8° |
| C1 | N1 | C2 | O1 | 0.1° | 2.2° |
| C1 | N1 | C21 | H25 | 104.6° | 78.8° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 119.9° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C2 | C3 | O1 | 178.7° | 179.9° |
| C2 | N1 | C21 | H25 | 74.2° | 101.5° |
| C2 | N1 | C1 | H1 | 1.3° | 0.1° |
| C2 | N1 | C1 | H2 | 118.7° | 120.0° |
| C2 | N1 | C1 | H3 | 121.3° | 120.0° |
| N1 | C2 | C3 | H5 | 129.7° | 102.6° |
| N1 | C2 | C3 | H4 | 112.7° | 137.7° |
| C2 | C3 | C4 | H7 | 142.9° | 168.7° |
| C2 | C3 | C4 | H6 | 96.3° | 70.9° |
| C2 | C3 | H5 | H4 | 116.3° | 119.7° |
| O1 | C2 | C3 | H5 | 51.6° | 77.3° |
| O1 | C2 | C3 | H4 | 66.0° | 42.4° |
| H7 | C4 | C5 | H8 | 70.8° | 67.6° |
| H7 | C4 | C3 | H5 | 21.8° | 48.4° |
| H7 | C4 | C3 | H4 | 95.9° | 71.3° |
| H6 | C4 | C5 | H8 | 168.4° | 171.8° |
| H6 | C4 | C3 | H5 | 142.5° | 168.8° |
| H6 | C4 | C3 | H4 | 24.9° | 49.2° |
| H8 | C5 | C21 | H25 | 153.4° | 170.7° |
| H10 | C7 | C8 | H12 | 56.1° | 65.6° |
| H10 | C7 | C8 | H11 | 62.9° | 54.4° |
| H9 | C7 | C8 | H12 | 175.8° | 54.8° |
| H9 | C7 | C8 | H11 | 56.8° | 174.8° |
| H17 | C13 | C14 | H18 | 2.2° | 0.0° |
| H19 | C15 | C14 | H18 | 1.7° | 0.2° |
| H19 | C15 | C16 | H20 | 0.4° | 0.4° |
| H23 | C20 | C19 | H21 | 50.3° | 54.4° |
| H23 | C20 | C19 | H22 | 169.0° | 65.6° |
| H24 | C20 | C19 | H21 | 69.1° | 174.8° |
| H24 | C20 | C19 | H22 | 49.6° | 54.7° |
| H27 | C24 | C23 | H26 | 0.8° | 0.0° |
| H27 | C24 | C25 | H28 | 0.2° | 0.0° |
| H29 | C26 | C25 | H28 | 0.4° | 0.0° |
| H29 | C26 | C27 | H30 | 0.3° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
