A1KDX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | O5 | sing | 1.43Å | 1.40Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| O5 | C18 | sing | 1.43Å | 1.47Å | |
| C9 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.51Å | 1.47Å | |
| C6 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | N2 | sing | 1.47Å | 1.49Å | |
| C19 | N2 | sing | 1.47Å | 1.43Å | |
| N2 | C15 | sing | 1.35Å | 1.40Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.51Å | 1.47Å | |
| C15 | O4 | doub | 1.21Å | 1.27Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C2 | N1 | sing | 1.46Å | 1.40Å | |
| C2 | B | sing | 1.57Å | 1.67Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | N3 | sing | 1.46Å | 1.40Å | |
| N1 | C12 | sing | 1.35Å | 1.30Å | |
| C12 | O3 | doub | 1.21Å | 1.23Å | |
| N3 | C20 | sing | 1.35Å | 1.37Å | |
| B | O2 | sing | 1.42Å | 1.40Å | |
| B | O1 | sing | 1.42Å | 1.44Å | |
| C20 | O6 | doub | 1.22Å | 1.25Å | |
| C20 | C21 | sing | 1.48Å | 1.51Å | |
| N5 | C21 | doub | 1.33Å | 1.35Å | Aromatic |
| N5 | C24 | sing | 1.32Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.43Å | Aromatic |
| C22 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C23 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 119.3° | 120.0° |
| C8 | C7 | C6 | 120.8° | 120.0° |
| C8 | C7 | H7 | 119.6° | 120.0° |
| C7 | C8 | H8 | 120.4° | 120.0° |
| C8 | C9 | C10 | 118.9° | 120.0° |
| C9 | C8 | H8 | 120.3° | 120.0° |
| C8 | C9 | H20 | 120.5° | 120.0° |
| C7 | C6 | C5 | 118.6° | 120.0° |
| C7 | C6 | C11 | 120.9° | 120.0° |
| C6 | C7 | H7 | 119.6° | 120.0° |
| O5 | C17 | C16 | 107.2° | 109.2° |
| C17 | O5 | C18 | 111.6° | 114.2° |
| O5 | C17 | H11 | 110.1° | 109.6° |
| O5 | C17 | H12 | 110.0° | 109.5° |
| C17 | C16 | N2 | 114.3° | 108.4° |
| C16 | C17 | H11 | 110.0° | 109.5° |
| C16 | C17 | H12 | 110.0° | 109.5° |
| C17 | C16 | H24 | 108.3° | 109.7° |
| C17 | C16 | H25 | 108.2° | 109.7° |
| O5 | C18 | C19 | 109.8° | 109.2° |
| O5 | C18 | H26 | 109.4° | 109.5° |
| O5 | C18 | H27 | 109.4° | 109.5° |
| C9 | C10 | C11 | 120.9° | 120.0° |
| C9 | C10 | H9 | 119.5° | 120.0° |
| C10 | C9 | H20 | 120.5° | 120.0° |
| C18 | C19 | N2 | 113.2° | 108.4° |
| C19 | C18 | H26 | 109.4° | 109.5° |
| C19 | C18 | H27 | 109.4° | 109.5° |
| C18 | C19 | H28 | 108.5° | 109.7° |
| C18 | C19 | H29 | 108.5° | 109.7° |
| C5 | C6 | C11 | 120.5° | 120.0° |
| C6 | C5 | C4 | 118.1° | 109.4° |
| C6 | C5 | H5 | 107.3° | 109.5° |
| C6 | C5 | H6 | 107.3° | 109.5° |
| C6 | C11 | C10 | 119.1° | 120.0° |
| C6 | C11 | H21 | 120.4° | 120.0° |
| C5 | C4 | C3 | 119.1° | 109.5° |
| C5 | C4 | H3 | 107.0° | 109.5° |
| C5 | C4 | H4 | 107.0° | 109.5° |
| C4 | C5 | H5 | 107.3° | 109.5° |
| C4 | C5 | H6 | 107.3° | 109.4° |
| C11 | C10 | H9 | 119.5° | 120.0° |
| C10 | C11 | H21 | 120.4° | 120.1° |
| C16 | N2 | C19 | 113.9° | 118.0° |
| C16 | N2 | C15 | 118.3° | 121.0° |
| N2 | C16 | H24 | 108.2° | 109.7° |
| N2 | C16 | H25 | 108.2° | 109.7° |
| C19 | N2 | C15 | 117.2° | 121.0° |
| N2 | C19 | H28 | 108.5° | 109.7° |
| N2 | C19 | H29 | 108.5° | 109.7° |
| N2 | C15 | C14 | 111.6° | 120.0° |
| N2 | C15 | O4 | 123.7° | 120.0° |
| C4 | C3 | C2 | 105.1° | 109.5° |
| C3 | C4 | H3 | 107.0° | 109.4° |
| C3 | C4 | H4 | 107.0° | 109.5° |
| C4 | C3 | H18 | 110.6° | 109.4° |
| C4 | C3 | H19 | 110.5° | 109.5° |
| C14 | C15 | O4 | 124.7° | 120.0° |
| C15 | C14 | C13 | 118.2° | 109.5° |
| C15 | C14 | H22 | 107.3° | 109.5° |
| C15 | C14 | H23 | 107.2° | 109.5° |
| C3 | C2 | N1 | 105.3° | 109.5° |
| C3 | C2 | B | 117.4° | 109.5° |
| C3 | C2 | H16 | 109.4° | 109.4° |
| C2 | C3 | H18 | 110.5° | 109.5° |
| C2 | C3 | H19 | 110.5° | 109.5° |
| C14 | C13 | C12 | 101.0° | 109.5° |
| C14 | C13 | N3 | 119.5° | 109.5° |
| C14 | C13 | H10 | 108.1° | 109.5° |
| C13 | C14 | H22 | 107.3° | 109.5° |
| C13 | C14 | H23 | 107.3° | 109.5° |
| N1 | C2 | B | 106.0° | 109.5° |
| C2 | N1 | C12 | 124.8° | 120.0° |
| C2 | N1 | H1 | 117.6° | 120.0° |
| N1 | C2 | H16 | 111.1° | 109.5° |
| C2 | B | O2 | 115.3° | 120.0° |
| C2 | B | O1 | 112.7° | 120.0° |
| B | C2 | H16 | 107.6° | 109.5° |
| C12 | C13 | N3 | 110.0° | 109.5° |
| C13 | C12 | N1 | 115.5° | 120.0° |
| C13 | C12 | O3 | 119.0° | 120.0° |
| C12 | C13 | H10 | 107.9° | 109.5° |
| C13 | N3 | C20 | 119.3° | 120.0° |
| C13 | N3 | H2 | 120.3° | 120.0° |
| N3 | C13 | H10 | 109.6° | 109.5° |
| N1 | C12 | O3 | 125.4° | 120.0° |
| C12 | N1 | H1 | 117.6° | 120.0° |
| N3 | C20 | O6 | 122.2° | 120.0° |
| N3 | C20 | C21 | 119.1° | 120.0° |
| C20 | N3 | H2 | 120.4° | 120.0° |
| O2 | B | O1 | 103.9° | 120.0° |
| B | O2 | H17 | 109.5° | 114.0° |
| B | O1 | H15 | 109.5° | 114.0° |
| O6 | C20 | C21 | 118.6° | 120.0° |
| C20 | C21 | N5 | 120.7° | 120.1° |
| C20 | C21 | C22 | 117.4° | 120.1° |
| C21 | N5 | C24 | 116.0° | 119.9° |
| N5 | C21 | C22 | 121.9° | 119.8° |
| N5 | C24 | C23 | 122.4° | 120.1° |
| N5 | C24 | H14 | 118.8° | 120.0° |
| C21 | C22 | N4 | 121.5° | 119.9° |
| C21 | C22 | H13 | 119.2° | 120.0° |
| C24 | C23 | N4 | 120.6° | 120.3° |
| C23 | C24 | H14 | 118.8° | 120.0° |
| C24 | C23 | H30 | 119.7° | 119.9° |
| C22 | N4 | C23 | 117.8° | 120.0° |
| N4 | C22 | H13 | 119.3° | 120.0° |
| N4 | C23 | H30 | 119.7° | 119.8° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.4° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.7° |
| H26 | C18 | H27 | 109.5° | 109.6° |
| H28 | C19 | H29 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C8 | C7 | C6 | C5 | 177.6° | 179.9° |
| C8 | C7 | C6 | C11 | 0.3° | 0.3° |
| C7 | C8 | C9 | H20 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.4° | 0.0° |
| C8 | C9 | C10 | H20 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.3° | 0.2° |
| C9 | C8 | C7 | H7 | 179.6° | 180.0° |
| C8 | C9 | C10 | H9 | 179.6° | 179.8° |
| C7 | C6 | C5 | C11 | 177.9° | 179.7° |
| C7 | C6 | C5 | C4 | 146.1° | 89.7° |
| C7 | C6 | C11 | C10 | 0.0° | 0.6° |
| C7 | C6 | C5 | H5 | 24.9° | 150.3° |
| C7 | C6 | C5 | H6 | 92.6° | 30.2° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| C7 | C6 | C11 | H21 | 180.0° | 179.7° |
| O5 | C17 | C16 | H11 | 119.7° | 120.0° |
| O5 | C17 | C16 | H12 | 119.7° | 120.0° |
| C17 | O5 | C18 | C19 | 63.7° | 62.6° |
| O5 | C17 | C16 | N2 | 53.1° | 52.3° |
| O5 | C17 | H11 | H12 | 121.0° | 120.2° |
| O5 | C17 | C16 | H24 | 67.6° | 172.1° |
| O5 | C17 | C16 | H25 | 173.8° | 67.4° |
| C17 | O5 | C18 | H26 | 56.3° | 177.5° |
| C17 | O5 | C18 | H27 | 176.3° | 57.3° |
| C16 | C17 | O5 | C18 | 63.0° | 62.6° |
| C17 | C16 | N2 | H24 | 120.7° | 119.8° |
| C17 | C16 | N2 | H25 | 120.7° | 119.7° |
| C17 | C16 | N2 | C19 | 44.2° | 50.5° |
| C17 | C16 | N2 | C15 | 172.0° | 129.5° |
| C16 | C17 | H11 | H12 | 121.0° | 120.1° |
| C17 | C16 | H24 | H25 | 117.8° | 120.5° |
| O5 | C18 | C19 | H26 | 120.1° | 119.9° |
| O5 | C18 | C19 | H27 | 120.0° | 119.9° |
| O5 | C18 | C19 | N2 | 51.4° | 52.3° |
| C18 | O5 | C17 | H11 | 177.3° | 57.3° |
| C18 | O5 | C17 | H12 | 56.7° | 177.5° |
| O5 | C18 | H26 | H27 | 119.9° | 120.1° |
| O5 | C18 | C19 | H28 | 172.0° | 172.0° |
| O5 | C18 | C19 | H29 | 69.1° | 67.4° |
| C9 | C10 | C11 | C6 | 0.4° | 0.5° |
| C9 | C10 | C11 | H9 | 180.0° | 179.6° |
| C10 | C9 | C8 | H8 | 180.0° | 180.0° |
| C9 | C10 | C11 | H21 | 179.6° | 179.8° |
| C18 | C19 | N2 | C16 | 42.9° | 50.5° |
| C18 | C19 | N2 | H28 | 120.6° | 119.7° |
| C18 | C19 | N2 | H29 | 120.5° | 119.7° |
| C18 | C19 | N2 | C15 | 172.9° | 129.5° |
| C19 | C18 | H26 | H27 | 119.8° | 120.1° |
| C18 | C19 | H28 | H29 | 118.3° | 120.6° |
| C6 | C5 | C4 | H5 | 121.2° | 120.0° |
| C6 | C5 | C4 | H6 | 121.2° | 120.0° |
| C5 | C6 | C11 | C10 | 177.9° | 179.7° |
| C6 | C5 | C4 | C3 | 54.6° | 180.0° |
| C6 | C5 | C4 | H3 | 175.9° | 60.0° |
| C6 | C5 | C4 | H4 | 66.8° | 60.0° |
| C6 | C5 | H5 | H6 | 116.1° | 120.0° |
| C5 | C6 | C7 | H7 | 2.4° | 0.0° |
| C5 | C6 | C11 | H21 | 2.1° | 0.0° |
| C11 | C6 | C5 | C4 | 36.0° | 90.0° |
| C6 | C11 | C10 | H21 | 180.0° | 179.7° |
| C11 | C6 | C5 | H5 | 157.2° | 30.0° |
| C11 | C6 | C5 | H6 | 85.3° | 150.0° |
| C11 | C6 | C7 | H7 | 179.7° | 179.8° |
| C6 | C11 | C10 | H9 | 179.6° | 180.0° |
| C5 | C4 | C3 | H3 | 121.4° | 120.0° |
| C5 | C4 | C3 | H4 | 121.4° | 120.0° |
| C5 | C4 | C3 | C2 | 143.2° | 180.0° |
| C5 | C4 | H3 | H4 | 115.7° | 120.0° |
| C4 | C5 | H5 | H6 | 116.1° | 120.0° |
| C5 | C4 | C3 | H18 | 23.9° | 60.0° |
| C5 | C4 | C3 | H19 | 97.5° | 60.0° |
| C11 | C10 | C9 | H20 | 179.7° | 179.8° |
| C16 | N2 | C19 | C15 | 144.2° | 180.0° |
| C16 | N2 | C15 | C14 | 28.3° | 180.0° |
| C16 | N2 | C15 | O4 | 150.9° | 0.0° |
| N2 | C16 | C17 | H11 | 172.8° | 67.7° |
| N2 | C16 | C17 | H12 | 66.6° | 172.2° |
| N2 | C16 | H24 | H25 | 117.8° | 120.5° |
| C16 | N2 | C19 | H28 | 163.5° | 170.3° |
| C16 | N2 | C19 | H29 | 77.6° | 69.2° |
| C19 | N2 | C15 | C14 | 114.3° | 0.0° |
| C19 | N2 | C15 | O4 | 66.5° | 180.0° |
| C19 | N2 | C16 | H24 | 76.5° | 170.3° |
| C19 | N2 | C16 | H25 | 164.9° | 69.2° |
| N2 | C19 | C18 | H26 | 68.7° | 172.2° |
| N2 | C19 | C18 | H27 | 171.4° | 67.6° |
| N2 | C19 | H28 | H29 | 118.3° | 120.5° |
| N2 | C15 | C14 | O4 | 179.2° | 180.0° |
| N2 | C15 | C14 | C13 | 178.6° | 175.1° |
| N2 | C15 | C14 | H22 | 57.3° | 55.1° |
| N2 | C15 | C14 | H23 | 60.2° | 64.9° |
| C15 | N2 | C16 | H24 | 67.3° | 9.7° |
| C15 | N2 | C16 | H25 | 51.3° | 110.8° |
| C15 | N2 | C19 | H28 | 52.3° | 9.7° |
| C15 | N2 | C19 | H29 | 66.6° | 110.8° |
| C4 | C3 | C2 | H18 | 119.3° | 119.9° |
| C4 | C3 | C2 | H19 | 119.3° | 120.0° |
| C4 | C3 | C2 | N1 | 53.8° | 180.0° |
| C4 | C3 | C2 | B | 171.4° | 60.0° |
| C3 | C4 | H3 | H4 | 115.6° | 120.0° |
| C3 | C4 | C5 | H5 | 66.7° | 60.0° |
| C3 | C4 | C5 | H6 | 175.8° | 60.0° |
| C4 | C3 | C2 | H16 | 65.6° | 60.0° |
| C4 | C3 | H18 | H19 | 122.0° | 120.0° |
| C15 | C14 | C13 | H22 | 121.3° | 120.0° |
| C15 | C14 | C13 | H23 | 121.2° | 120.0° |
| C15 | C14 | C13 | C12 | 166.9° | 62.8° |
| C15 | C14 | C13 | N3 | 46.2° | 57.2° |
| C15 | C14 | C13 | H10 | 80.0° | 177.2° |
| C15 | C14 | H22 | H23 | 116.0° | 120.0° |
| O4 | C15 | C14 | C13 | 2.2° | 4.9° |
| O4 | C15 | C14 | H22 | 123.5° | 124.9° |
| O4 | C15 | C14 | H23 | 119.0° | 115.1° |
| C3 | C2 | N1 | B | 125.1° | 120.0° |
| C3 | C2 | N1 | H16 | 118.3° | 120.0° |
| C3 | C2 | B | H16 | 123.9° | 120.0° |
| C3 | C2 | N1 | C12 | 129.4° | 135.0° |
| C3 | C2 | B | O2 | 56.5° | 120.0° |
| C3 | C2 | B | O1 | 175.6° | 60.0° |
| C3 | C2 | N1 | H1 | 50.6° | 45.2° |
| C2 | C3 | C4 | H3 | 95.4° | 60.0° |
| C2 | C3 | C4 | H4 | 21.8° | 60.0° |
| C2 | C3 | H18 | H19 | 122.0° | 120.0° |
| C14 | C13 | C12 | N3 | 127.2° | 120.0° |
| C14 | C13 | C12 | H10 | 113.3° | 120.0° |
| C14 | C13 | N3 | H10 | 125.5° | 120.0° |
| C14 | C13 | C12 | N1 | 102.4° | 60.0° |
| C14 | C13 | C12 | O3 | 79.2° | 120.0° |
| C14 | C13 | N3 | C20 | 174.8° | 80.7° |
| C14 | C13 | N3 | H2 | 5.2° | 99.3° |
| C13 | C14 | H22 | H23 | 116.1° | 120.0° |
| N1 | C2 | B | H16 | 118.9° | 120.0° |
| C2 | N1 | C12 | C13 | 157.3° | 179.7° |
| C2 | N1 | C12 | H1 | 180.0° | 179.8° |
| C2 | N1 | C12 | O3 | 24.5° | 0.3° |
| N1 | C2 | B | O2 | 60.7° | 0.0° |
| N1 | C2 | B | O1 | 58.4° | 180.0° |
| N1 | C2 | C3 | H18 | 173.1° | 60.0° |
| N1 | C2 | C3 | H19 | 65.6° | 60.0° |
| B | C2 | N1 | C12 | 105.5° | 105.0° |
| C2 | B | O2 | O1 | 123.9° | 180.0° |
| B | C2 | N1 | H1 | 74.5° | 74.7° |
| C2 | B | O1 | H15 | 180.0° | 179.9° |
| C2 | B | O2 | H17 | 180.0° | 180.0° |
| B | C2 | C3 | H18 | 69.3° | 60.0° |
| B | C2 | C3 | H19 | 52.1° | 180.0° |
| C12 | C13 | N3 | H10 | 118.5° | 120.0° |
| C13 | C12 | N1 | O3 | 178.2° | 180.0° |
| C12 | C13 | N3 | C20 | 69.2° | 159.3° |
| C13 | C12 | N1 | H1 | 22.7° | 0.0° |
| C12 | C13 | N3 | H2 | 110.8° | 20.7° |
| C12 | C13 | C14 | H22 | 45.6° | 177.2° |
| C12 | C13 | C14 | H23 | 71.9° | 57.2° |
| N3 | C13 | C12 | N1 | 130.4° | 180.0° |
| N3 | C13 | C12 | O3 | 48.0° | 0.0° |
| C13 | N3 | C20 | H2 | 180.0° | 180.0° |
| C13 | N3 | C20 | O6 | 1.7° | 5.1° |
| C13 | N3 | C20 | C21 | 178.7° | 174.9° |
| N3 | C13 | C14 | H22 | 75.1° | 62.8° |
| N3 | C13 | C14 | H23 | 167.4° | 177.2° |
| N1 | C12 | C13 | H10 | 10.9° | 60.0° |
| C12 | N1 | C2 | H16 | 11.1° | 15.0° |
| O3 | C12 | N1 | H1 | 155.5° | 180.0° |
| O3 | C12 | C13 | H10 | 167.5° | 120.0° |
| N3 | C20 | O6 | C21 | 179.6° | 180.0° |
| N3 | C20 | C21 | N5 | 1.4° | 0.3° |
| N3 | C20 | C21 | C22 | 177.7° | 180.0° |
| C20 | N3 | C13 | H10 | 49.3° | 39.3° |
| O2 | B | O1 | H15 | 54.5° | 0.0° |
| O2 | B | C2 | H16 | 179.6° | 120.0° |
| O1 | B | C2 | H16 | 60.5° | 60.0° |
| O1 | B | O2 | H17 | 56.1° | 0.0° |
| O6 | C20 | C21 | N5 | 179.0° | 179.7° |
| O6 | C20 | C21 | C22 | 1.9° | 0.0° |
| O6 | C20 | N3 | H2 | 178.4° | 174.9° |
| C20 | C21 | N5 | C22 | 179.0° | 179.7° |
| C20 | C21 | N5 | C24 | 178.3° | 179.9° |
| C20 | C21 | C22 | N4 | 178.8° | 179.9° |
| C21 | C20 | N3 | H2 | 1.2° | 5.1° |
| C20 | C21 | C22 | H13 | 1.2° | 0.0° |
| C21 | N5 | C24 | C23 | 0.7° | 0.0° |
| N5 | C21 | C22 | N4 | 0.3° | 0.2° |
| N5 | C21 | C22 | H13 | 179.7° | 179.7° |
| C21 | N5 | C24 | H14 | 179.3° | 179.7° |
| C24 | N5 | C21 | C22 | 0.7° | 0.2° |
| N5 | C24 | C23 | H14 | 180.0° | 179.7° |
| N5 | C24 | C23 | N4 | 0.3° | 0.3° |
| N5 | C24 | C23 | H30 | 179.7° | 180.0° |
| C21 | C22 | N4 | H13 | 180.0° | 180.0° |
| C21 | C22 | N4 | C23 | 0.2° | 0.1° |
| C24 | C23 | N4 | C22 | 0.2° | 0.3° |
| C24 | C23 | N4 | H30 | 180.0° | 179.7° |
| C22 | N4 | C23 | H30 | 179.8° | 180.0° |
| C23 | N4 | C22 | H13 | 179.8° | 180.0° |
| N4 | C23 | C24 | H14 | 179.7° | 180.0° |
| H1 | N1 | C2 | H16 | 168.9° | 165.2° |
| H2 | N3 | C13 | H10 | 130.7° | 140.7° |
| H3 | C4 | C5 | H5 | 54.7° | 60.0° |
| H3 | C4 | C5 | H6 | 62.8° | 180.0° |
| H3 | C4 | C3 | H18 | 145.3° | 180.0° |
| H3 | C4 | C3 | H19 | 23.9° | 60.0° |
| H4 | C4 | C5 | H5 | 171.9° | 180.0° |
| H4 | C4 | C5 | H6 | 54.4° | 60.0° |
| H4 | C4 | C3 | H18 | 97.5° | 60.0° |
| H4 | C4 | C3 | H19 | 141.1° | 180.0° |
| H7 | C7 | C8 | H8 | 0.4° | 0.1° |
| H8 | C8 | C9 | H20 | 0.0° | 0.0° |
| H9 | C10 | C9 | H20 | 0.4° | 0.3° |
| H9 | C10 | C11 | H21 | 0.4° | 0.2° |
| H10 | C13 | C14 | H22 | 158.7° | 57.2° |
| H10 | C13 | C14 | H23 | 41.2° | 62.8° |
| H11 | C17 | C16 | H24 | 52.1° | 52.1° |
| H11 | C17 | C16 | H25 | 66.5° | 172.6° |
| H12 | C17 | C16 | H24 | 172.7° | 68.0° |
| H12 | C17 | C16 | H25 | 54.1° | 52.5° |
| H14 | C24 | C23 | H30 | 0.3° | 0.3° |
| H16 | C2 | C3 | H18 | 53.7° | 180.0° |
| H16 | C2 | C3 | H19 | 175.0° | 60.0° |
| H26 | C18 | C19 | H28 | 51.9° | 68.1° |
| H26 | C18 | C19 | H29 | 170.8° | 52.5° |
| H27 | C18 | C19 | H28 | 68.0° | 52.1° |
| H27 | C18 | C19 | H29 | 50.9° | 172.7° |
