A1I3Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| O1 | C2 | sing | 1.43Å | 1.44Å | |
| O1 | C4 | sing | 1.43Å | 1.42Å | |
| C2 | C25 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.50Å | |
| C9 | O2 | doub | 1.22Å | 1.23Å | |
| C9 | N1 | sing | 1.35Å | 1.34Å | |
| C22 | N1 | sing | 1.47Å | 1.46Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| N1 | C10 | sing | 1.47Å | 1.46Å | |
| C21 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.51Å | 1.48Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| N2 | C13 | doub | 1.31Å | 1.35Å | Aromatic |
| N2 | C14 | sing | 1.34Å | 1.38Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N4 | sing | 1.34Å | 1.34Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.47Å | |
| C14 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| C15 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| N4 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 109.9° | 109.3° |
| C1 | C2 | O1 | 110.2° | 109.3° |
| C1 | C2 | C25 | 110.5° | 109.3° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C3 | C2 | O1 | 104.9° | 109.3° |
| C3 | C2 | C25 | 111.0° | 109.2° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.4° | 109.4° |
| C2 | O1 | C4 | 112.1° | 113.1° |
| O1 | C2 | C25 | 110.2° | 110.3° |
| O1 | C4 | C5 | 110.1° | 108.5° |
| O1 | C4 | H7 | 109.3° | 109.6° |
| O1 | C4 | H8 | 109.3° | 109.6° |
| C2 | C25 | C24 | 119.5° | 118.6° |
| C2 | C25 | C6 | 121.1° | 121.4° |
| C4 | C5 | C6 | 110.8° | 109.7° |
| C5 | C4 | H7 | 109.3° | 109.7° |
| C5 | C4 | H8 | 109.3° | 109.6° |
| C4 | C5 | H9 | 109.1° | 109.4° |
| C4 | C5 | H10 | 109.1° | 109.4° |
| C24 | C25 | C6 | 119.5° | 120.0° |
| C25 | C24 | C23 | 121.2° | 120.6° |
| C25 | C24 | H28 | 119.4° | 119.7° |
| C25 | C6 | C5 | 120.7° | 121.4° |
| C25 | C6 | C7 | 119.5° | 120.0° |
| C24 | C23 | C8 | 119.9° | 119.7° |
| C24 | C23 | H27 | 120.0° | 120.2° |
| C23 | C24 | H28 | 119.4° | 119.7° |
| C5 | C6 | C7 | 119.8° | 118.6° |
| C6 | C5 | H9 | 109.1° | 109.5° |
| C6 | C5 | H10 | 109.2° | 109.4° |
| C6 | C7 | C8 | 121.0° | 120.2° |
| C6 | C7 | H11 | 119.5° | 119.9° |
| C23 | C8 | C7 | 118.8° | 119.6° |
| C23 | C8 | C9 | 120.3° | 120.2° |
| C8 | C23 | H27 | 120.0° | 120.1° |
| C7 | C8 | C9 | 120.9° | 120.2° |
| C8 | C7 | H11 | 119.5° | 119.9° |
| C8 | C9 | O2 | 119.4° | 120.0° |
| C8 | C9 | N1 | 117.5° | 120.0° |
| O2 | C9 | N1 | 123.0° | 120.0° |
| C9 | N1 | C22 | 121.3° | 120.6° |
| C9 | N1 | C10 | 124.3° | 120.6° |
| N1 | C22 | C21 | 111.6° | 109.0° |
| C22 | N1 | C10 | 114.3° | 118.7° |
| N1 | C22 | H25 | 108.9° | 109.6° |
| N1 | C22 | H26 | 109.0° | 109.6° |
| C22 | C21 | C12 | 110.1° | 109.3° |
| C22 | C21 | H23 | 109.3° | 109.5° |
| C22 | C21 | H24 | 109.3° | 109.4° |
| C21 | C22 | H25 | 108.9° | 109.7° |
| C21 | C22 | H26 | 108.9° | 109.3° |
| N1 | C10 | C11 | 112.4° | 108.8° |
| N1 | C10 | H13 | 108.7° | 109.6° |
| N1 | C10 | H14 | 108.7° | 109.6° |
| C21 | C12 | C11 | 110.2° | 109.5° |
| C21 | C12 | C13 | 111.4° | 109.4° |
| C21 | C12 | H17 | 107.6° | 109.4° |
| C12 | C21 | H23 | 109.3° | 109.5° |
| C12 | C21 | H24 | 109.3° | 109.5° |
| C11 | C12 | C13 | 111.7° | 109.5° |
| C12 | C11 | C10 | 111.6° | 109.3° |
| C12 | C11 | H15 | 108.9° | 109.5° |
| C12 | C11 | H16 | 108.9° | 109.5° |
| C11 | C12 | H17 | 107.6° | 109.5° |
| C12 | C13 | N2 | 123.9° | 125.8° |
| C12 | C13 | N4 | 127.6° | 125.9° |
| C13 | C12 | H17 | 108.2° | 109.5° |
| C11 | C10 | H13 | 108.7° | 109.6° |
| C11 | C10 | H14 | 108.7° | 109.6° |
| C10 | C11 | H15 | 108.9° | 109.5° |
| C10 | C11 | H16 | 108.9° | 109.5° |
| C13 | N2 | C14 | 104.1° | 109.7° |
| N2 | C13 | N4 | 108.5° | 108.3° |
| N2 | C14 | C15 | 123.8° | 125.6° |
| N2 | C14 | N3 | 112.7° | 108.7° |
| C17 | C16 | C15 | 120.2° | 119.9° |
| C16 | C17 | C18 | 120.1° | 120.1° |
| C17 | C16 | H18 | 119.9° | 120.1° |
| C16 | C17 | H19 | 120.0° | 119.9° |
| C16 | C15 | C14 | 120.4° | 120.2° |
| C16 | C15 | C20 | 119.0° | 119.7° |
| C15 | C16 | H18 | 119.9° | 120.0° |
| C13 | N4 | N3 | 110.4° | 106.5° |
| C13 | N4 | H12 | 124.8° | 126.7° |
| C17 | C18 | C19 | 120.2° | 120.3° |
| C18 | C17 | H19 | 119.9° | 120.0° |
| C17 | C18 | H20 | 119.9° | 119.8° |
| C15 | C14 | N3 | 123.5° | 125.6° |
| C14 | C15 | C20 | 120.6° | 120.1° |
| C14 | N3 | N4 | 104.2° | 106.7° |
| C15 | C20 | C19 | 120.3° | 119.9° |
| C15 | C20 | H22 | 119.8° | 120.1° |
| N3 | N4 | H12 | 124.8° | 126.8° |
| C18 | C19 | C20 | 120.1° | 120.1° |
| C19 | C18 | H20 | 119.9° | 119.9° |
| C18 | C19 | H21 | 119.9° | 120.0° |
| C20 | C19 | H21 | 119.9° | 119.9° |
| C19 | C20 | H22 | 119.8° | 120.1° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.8° |
| H9 | C5 | H10 | 109.5° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.7° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H25 | C22 | H26 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | O1 | 118.5° | 119.7° |
| C1 | C2 | C3 | C25 | 122.5° | 119.6° |
| C1 | C2 | O1 | C25 | 122.2° | 120.2° |
| C1 | C2 | O1 | C4 | 69.2° | 68.5° |
| C1 | C2 | C25 | C24 | 76.3° | 75.6° |
| C1 | C2 | C25 | C6 | 104.4° | 104.4° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 180.0° | 59.7° |
| C1 | C2 | C3 | H5 | 60.0° | 60.3° |
| C1 | C2 | C3 | H6 | 60.0° | 179.7° |
| C3 | C2 | O1 | C25 | 119.6° | 120.1° |
| C3 | C2 | O1 | C4 | 172.5° | 171.9° |
| C3 | C2 | C25 | C24 | 45.9° | 44.0° |
| C3 | C2 | C25 | C6 | 133.4° | 136.1° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C3 | C2 | C1 | H2 | 60.0° | 60.3° |
| C3 | C2 | C1 | H3 | 60.0° | 59.7° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C2 | O1 | C4 | C5 | 70.4° | 70.8° |
| O1 | C2 | C25 | C24 | 161.6° | 164.1° |
| O1 | C2 | C25 | C6 | 17.7° | 15.9° |
| O1 | C2 | C1 | H1 | 64.9° | 60.0° |
| O1 | C2 | C1 | H2 | 175.1° | 180.0° |
| O1 | C2 | C1 | H3 | 55.1° | 60.0° |
| O1 | C2 | C3 | H4 | 61.6° | 60.0° |
| O1 | C2 | C3 | H5 | 58.5° | 180.0° |
| O1 | C2 | C3 | H6 | 178.5° | 60.0° |
| C2 | O1 | C4 | H7 | 49.7° | 48.9° |
| C2 | O1 | C4 | H8 | 169.5° | 169.5° |
| C4 | O1 | C2 | C25 | 53.0° | 51.8° |
| O1 | C4 | C5 | H7 | 120.1° | 119.7° |
| O1 | C4 | C5 | H8 | 120.1° | 119.6° |
| O1 | C4 | C5 | C6 | 47.4° | 49.3° |
| O1 | C4 | H7 | H8 | 119.8° | 120.5° |
| O1 | C4 | C5 | H9 | 167.6° | 169.4° |
| O1 | C4 | C5 | H10 | 72.8° | 70.8° |
| C2 | C25 | C24 | C6 | 179.3° | 180.0° |
| C2 | C25 | C24 | C23 | 179.7° | 179.8° |
| C2 | C25 | C6 | C5 | 0.3° | 0.3° |
| C2 | C25 | C6 | C7 | 179.4° | 179.7° |
| C25 | C2 | C1 | H1 | 57.1° | 60.8° |
| C25 | C2 | C1 | H2 | 62.8° | 59.2° |
| C25 | C2 | C1 | H3 | 177.2° | 179.2° |
| C25 | C2 | C3 | H4 | 57.5° | 179.3° |
| C25 | C2 | C3 | H5 | 177.5° | 59.3° |
| C25 | C2 | C3 | H6 | 62.5° | 60.7° |
| C2 | C25 | C24 | H28 | 0.3° | 0.3° |
| C4 | C5 | C6 | C25 | 14.0° | 16.9° |
| C4 | C5 | C6 | H9 | 120.2° | 120.1° |
| C4 | C5 | C6 | H10 | 120.2° | 120.0° |
| C4 | C5 | C6 | C7 | 166.3° | 163.1° |
| C5 | C4 | H7 | H8 | 119.7° | 120.5° |
| C4 | C5 | H9 | H10 | 119.4° | 119.8° |
| C25 | C24 | C23 | H28 | 180.0° | 179.9° |
| C24 | C25 | C6 | C5 | 179.6° | 179.7° |
| C24 | C25 | C6 | C7 | 0.1° | 0.3° |
| C25 | C24 | C23 | C8 | 0.3° | 0.1° |
| C25 | C24 | C23 | H27 | 179.7° | 179.9° |
| C6 | C25 | C24 | C23 | 0.4° | 0.1° |
| C25 | C6 | C5 | C7 | 179.7° | 180.0° |
| C25 | C6 | C7 | C8 | 0.3° | 0.2° |
| C25 | C6 | C5 | H9 | 134.2° | 137.0° |
| C25 | C6 | C5 | H10 | 106.2° | 103.1° |
| C25 | C6 | C7 | H11 | 179.7° | 179.8° |
| C6 | C25 | C24 | H28 | 179.7° | 179.8° |
| C24 | C23 | C8 | H27 | 180.0° | 180.0° |
| C24 | C23 | C8 | C7 | 0.1° | 0.1° |
| C24 | C23 | C8 | C9 | 179.4° | 179.9° |
| C5 | C6 | C7 | C8 | 180.0° | 179.8° |
| C6 | C5 | C4 | H7 | 72.7° | 70.5° |
| C6 | C5 | C4 | H8 | 167.5° | 168.9° |
| C6 | C5 | H9 | H10 | 119.4° | 119.9° |
| C5 | C6 | C7 | H11 | 0.0° | 0.2° |
| C6 | C7 | C8 | C23 | 0.4° | 0.0° |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 179.6° | 180.0° |
| C7 | C6 | C5 | H9 | 46.1° | 43.0° |
| C7 | C6 | C5 | H10 | 73.5° | 76.9° |
| C23 | C8 | C7 | C9 | 179.3° | 180.0° |
| C23 | C8 | C9 | O2 | 121.3° | 138.9° |
| C23 | C8 | C9 | N1 | 61.0° | 41.1° |
| C23 | C8 | C7 | H11 | 179.7° | 180.0° |
| C8 | C23 | C24 | H28 | 179.7° | 180.0° |
| C7 | C8 | C9 | O2 | 59.4° | 41.1° |
| C7 | C8 | C9 | N1 | 118.3° | 138.9° |
| C7 | C8 | C23 | H27 | 179.9° | 179.8° |
| C8 | C9 | O2 | N1 | 177.6° | 180.0° |
| C8 | C9 | N1 | C22 | 17.4° | 6.1° |
| C8 | C9 | N1 | C10 | 166.7° | 174.2° |
| C9 | C8 | C7 | H11 | 0.4° | 0.0° |
| C9 | C8 | C23 | H27 | 0.6° | 0.1° |
| O2 | C9 | N1 | C22 | 160.2° | 173.9° |
| O2 | C9 | N1 | C10 | 15.7° | 5.8° |
| C9 | N1 | C22 | C10 | 176.3° | 179.7° |
| C9 | N1 | C22 | C21 | 179.5° | 126.4° |
| C9 | N1 | C10 | C11 | 128.4° | 126.4° |
| C9 | N1 | C10 | H13 | 8.0° | 113.9° |
| C9 | N1 | C10 | H14 | 111.2° | 6.6° |
| C9 | N1 | C22 | H25 | 60.2° | 6.3° |
| C9 | N1 | C22 | H26 | 59.1° | 114.1° |
| N1 | C22 | C21 | H25 | 120.3° | 120.0° |
| N1 | C22 | C21 | H26 | 120.3° | 119.8° |
| N1 | C22 | C21 | C12 | 52.7° | 54.4° |
| C22 | N1 | C10 | C11 | 55.5° | 53.3° |
| C22 | N1 | C10 | H13 | 175.9° | 66.4° |
| C22 | N1 | C10 | H14 | 65.0° | 173.1° |
| N1 | C22 | C21 | H23 | 67.3° | 174.4° |
| N1 | C22 | C21 | H24 | 172.8° | 65.5° |
| N1 | C22 | H25 | H26 | 119.1° | 120.3° |
| C21 | C22 | N1 | C10 | 4.3° | 53.3° |
| C22 | C21 | C12 | H23 | 120.1° | 120.0° |
| C22 | C21 | C12 | H24 | 120.1° | 119.9° |
| C22 | C21 | C12 | C11 | 59.2° | 61.3° |
| C22 | C21 | C12 | C13 | 176.2° | 178.7° |
| C22 | C21 | C12 | H17 | 57.8° | 58.8° |
| C22 | C21 | H23 | H24 | 119.8° | 120.0° |
| C21 | C22 | H25 | H26 | 119.0° | 120.0° |
| N1 | C10 | C11 | C12 | 46.8° | 54.6° |
| N1 | C10 | C11 | H13 | 120.4° | 119.8° |
| N1 | C10 | C11 | H14 | 120.4° | 119.8° |
| N1 | C10 | H13 | H14 | 118.6° | 120.4° |
| N1 | C10 | C11 | H15 | 167.2° | 174.6° |
| N1 | C10 | C11 | H16 | 73.5° | 65.4° |
| C10 | N1 | C22 | H25 | 116.1° | 173.4° |
| C10 | N1 | C22 | H26 | 124.6° | 66.2° |
| C21 | C12 | C11 | C13 | 124.4° | 120.0° |
| C21 | C12 | C11 | H17 | 117.0° | 120.0° |
| C21 | C12 | C13 | H17 | 118.1° | 119.9° |
| C21 | C12 | C11 | C10 | 9.4° | 61.4° |
| C21 | C12 | C13 | N2 | 146.3° | 144.9° |
| C21 | C12 | C13 | N4 | 32.1° | 35.1° |
| C21 | C12 | C11 | H15 | 110.9° | 178.7° |
| C21 | C12 | C11 | H16 | 129.7° | 58.6° |
| C12 | C21 | H23 | H24 | 119.7° | 120.1° |
| C12 | C21 | C22 | H25 | 173.1° | 174.4° |
| C12 | C21 | C22 | H26 | 67.6° | 65.3° |
| C11 | C12 | C13 | H17 | 118.2° | 120.1° |
| C12 | C11 | C10 | H15 | 120.3° | 120.0° |
| C12 | C11 | C10 | H16 | 120.3° | 120.0° |
| C11 | C12 | C13 | N2 | 89.9° | 95.0° |
| C11 | C12 | C13 | N4 | 91.6° | 85.0° |
| C12 | C11 | C10 | H13 | 167.3° | 65.1° |
| C12 | C11 | C10 | H14 | 73.6° | 174.4° |
| C12 | C11 | H15 | H16 | 119.0° | 120.1° |
| C11 | C12 | C21 | H23 | 60.9° | 178.7° |
| C11 | C12 | C21 | H24 | 179.3° | 58.6° |
| C13 | C12 | C11 | C10 | 133.8° | 178.7° |
| C12 | C13 | N2 | N4 | 178.7° | 180.0° |
| C12 | C13 | N2 | C14 | 179.2° | 180.0° |
| C12 | C13 | N4 | N3 | 179.4° | 180.0° |
| C13 | C12 | C11 | H15 | 13.5° | 58.7° |
| C13 | C12 | C11 | H16 | 105.9° | 61.4° |
| C13 | C12 | C21 | H23 | 63.7° | 58.7° |
| C13 | C12 | C21 | H24 | 56.1° | 61.4° |
| C12 | C13 | N4 | H12 | 0.6° | 0.0° |
| C11 | C10 | H13 | H14 | 118.7° | 120.4° |
| C10 | C11 | H15 | H16 | 119.0° | 120.1° |
| C10 | C11 | C12 | H17 | 107.6° | 58.6° |
| C13 | N2 | C14 | C15 | 179.4° | 180.0° |
| C13 | N2 | C14 | N3 | 0.1° | 0.0° |
| N2 | C13 | N4 | N3 | 0.7° | 0.0° |
| N2 | C13 | C12 | H17 | 28.3° | 25.0° |
| N2 | C13 | N4 | H12 | 179.3° | 180.0° |
| N2 | C14 | C15 | C16 | 31.4° | 0.3° |
| C14 | N2 | C13 | N4 | 0.5° | 0.0° |
| N2 | C14 | C15 | N3 | 179.4° | 180.0° |
| N2 | C14 | C15 | C20 | 147.7° | 180.0° |
| N2 | C14 | N3 | N4 | 0.3° | 0.0° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C16 | C17 | C18 | H19 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 179.7° | 180.0° |
| C17 | C16 | C15 | C20 | 0.6° | 0.2° |
| C16 | C17 | C18 | C19 | 0.0° | 0.1° |
| C16 | C17 | C18 | H20 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.4° | 0.1° |
| C16 | C15 | C14 | C20 | 179.1° | 179.8° |
| C16 | C15 | C14 | N3 | 149.2° | 179.7° |
| C16 | C15 | C20 | C19 | 0.4° | 0.5° |
| C15 | C16 | C17 | H19 | 179.6° | 180.0° |
| C16 | C15 | C20 | H22 | 179.6° | 179.7° |
| C13 | N4 | N3 | C14 | 0.6° | 0.0° |
| C13 | N4 | N3 | H12 | 180.0° | 180.0° |
| N4 | C13 | C12 | H17 | 150.2° | 155.0° |
| C17 | C18 | C19 | H20 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.2° |
| C18 | C17 | C16 | H18 | 179.6° | 179.9° |
| C17 | C18 | C19 | H21 | 179.8° | 180.0° |
| C15 | C14 | N3 | N4 | 179.8° | 180.0° |
| C14 | C15 | C20 | C19 | 179.5° | 179.7° |
| C14 | C15 | C16 | H18 | 0.3° | 0.0° |
| C14 | C15 | C20 | H22 | 0.5° | 0.1° |
| N3 | C14 | C15 | C20 | 31.7° | 0.0° |
| C14 | N3 | N4 | H12 | 179.4° | 180.0° |
| C15 | C20 | C19 | C18 | 0.0° | 0.5° |
| C15 | C20 | C19 | H22 | 180.0° | 179.8° |
| C20 | C15 | C16 | H18 | 179.4° | 179.8° |
| C15 | C20 | C19 | H21 | 180.0° | 179.7° |
| C18 | C19 | C20 | H21 | 180.0° | 179.7° |
| C19 | C18 | C17 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | H22 | 180.0° | 179.7° |
| C20 | C19 | C18 | H20 | 179.8° | 179.8° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H7 | C4 | C5 | H9 | 47.5° | 49.7° |
| H7 | C4 | C5 | H10 | 167.1° | 169.5° |
| H8 | C4 | C5 | H9 | 72.3° | 71.0° |
| H8 | C4 | C5 | H10 | 47.3° | 48.9° |
| H13 | C10 | C11 | H15 | 72.4° | 54.8° |
| H13 | C10 | C11 | H16 | 47.0° | 174.9° |
| H14 | C10 | C11 | H15 | 46.7° | 65.6° |
| H14 | C10 | C11 | H16 | 166.1° | 54.4° |
| H15 | C11 | C12 | H17 | 132.1° | 61.4° |
| H16 | C11 | C12 | H17 | 12.7° | 178.6° |
| H17 | C12 | C21 | H23 | 177.9° | 61.2° |
| H17 | C12 | C21 | H24 | 62.3° | 178.7° |
| H18 | C16 | C17 | H19 | 0.4° | 0.1° |
| H19 | C17 | C18 | H20 | 0.0° | 0.0° |
| H20 | C18 | C19 | H21 | 0.2° | 0.0° |
| H21 | C19 | C20 | H22 | 0.0° | 0.1° |
| H23 | C21 | C22 | H25 | 53.0° | 65.6° |
| H23 | C21 | C22 | H26 | 172.3° | 54.6° |
| H24 | C21 | C22 | H25 | 66.9° | 54.5° |
| H24 | C21 | C22 | H26 | 52.5° | 174.7° |
| H27 | C23 | C24 | H28 | 0.3° | 0.0° |
