A1B1U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C11 | N5 | sing | 1.47Å | 1.47Å | |
| C10 | N4 | sing | 1.47Å | 1.47Å | |
| N5 | C12 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| N4 | C13 | sing | 1.47Å | 1.47Å | |
| N4 | S1 | sing | 1.66Å | 1.64Å | |
| O3 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| S1 | C9 | sing | 1.76Å | 1.76Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | N1 | sing | 1.46Å | 1.47Å | |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | N3 | sing | 1.40Å | 1.42Å | |
| O1 | C2 | doub | 1.22Å | 1.24Å | |
| N1 | C2 | sing | 1.35Å | 1.39Å | |
| N1 | C3 | sing | 1.37Å | 1.38Å | |
| N2 | C3 | doub | 1.33Å | 1.33Å | Aromatic |
| N2 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | C18 | sing | 1.46Å | 1.45Å | |
| N3 | C4 | sing | 1.38Å | 1.36Å | |
| C3 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | N6 | doub | 1.33Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.49Å | |
| C18 | C17 | doub | 1.37Å | 1.37Å | |
| C25 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.41Å | |
| C16 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| N6 | C15 | sing | 1.32Å | 1.31Å | Aromatic |
| C24 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | CL1 | sing | 1.74Å | 1.74Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | O4 | sing | 1.36Å | 1.38Å | |
| O4 | C23 | sing | 1.43Å | 1.41Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| N5 | H25 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | N5 | 111.1° | 109.3° |
| C11 | C10 | N4 | 109.1° | 108.6° |
| C11 | C10 | H5 | 109.6° | 109.6° |
| C11 | C10 | H6 | 109.6° | 109.8° |
| C10 | C11 | H16 | 109.1° | 109.5° |
| C10 | C11 | H17 | 109.0° | 109.5° |
| C11 | N5 | C12 | 110.5° | 111.3° |
| N5 | C11 | H16 | 109.1° | 109.5° |
| N5 | C11 | H17 | 109.1° | 109.5° |
| C11 | N5 | H25 | 109.2° | 111.1° |
| C10 | N4 | C13 | 111.4° | 118.2° |
| C10 | N4 | S1 | 116.6° | 120.9° |
| N4 | C10 | H5 | 109.6° | 109.6° |
| N4 | C10 | H6 | 109.6° | 109.6° |
| N5 | C12 | C13 | 110.4° | 109.3° |
| N5 | C12 | H18 | 109.2° | 109.5° |
| N5 | C12 | H19 | 109.2° | 109.6° |
| C12 | N5 | H25 | 109.2° | 111.0° |
| C12 | C13 | N4 | 109.7° | 108.5° |
| C12 | C13 | H7 | 109.4° | 109.6° |
| C12 | C13 | H8 | 109.4° | 109.7° |
| C13 | C12 | H18 | 109.2° | 109.5° |
| C13 | C12 | H19 | 109.2° | 109.5° |
| C13 | N4 | S1 | 117.0° | 120.9° |
| N4 | C13 | H7 | 109.4° | 109.6° |
| N4 | C13 | H8 | 109.4° | 109.8° |
| N4 | S1 | O3 | 105.9° | 106.4° |
| N4 | S1 | O2 | 107.1° | 106.4° |
| N4 | S1 | C9 | 107.7° | 107.2° |
| O3 | S1 | O2 | 119.4° | 123.2° |
| O3 | S1 | C9 | 107.9° | 106.4° |
| O2 | S1 | C9 | 108.2° | 106.4° |
| S1 | C9 | C8 | 119.7° | 120.0° |
| S1 | C9 | C14 | 119.6° | 119.9° |
| C9 | C8 | C7 | 119.2° | 120.1° |
| C8 | C9 | C14 | 120.7° | 120.1° |
| C9 | C8 | H4 | 120.4° | 120.0° |
| C8 | C7 | C6 | 120.5° | 120.1° |
| C8 | C7 | H3 | 119.7° | 119.9° |
| C7 | C8 | H4 | 120.4° | 120.0° |
| C9 | C14 | C5 | 119.9° | 119.9° |
| C9 | C14 | H20 | 120.0° | 120.0° |
| C7 | C6 | C5 | 120.3° | 119.9° |
| C7 | C6 | H2 | 119.9° | 120.0° |
| C6 | C7 | H3 | 119.8° | 120.0° |
| C14 | C5 | C6 | 119.3° | 119.8° |
| C14 | C5 | N3 | 122.5° | 120.1° |
| C5 | C14 | H20 | 120.1° | 120.1° |
| C1 | N1 | C2 | 118.4° | 119.7° |
| C1 | N1 | C3 | 119.5° | 119.7° |
| N1 | C1 | H13 | 109.5° | 109.5° |
| N1 | C1 | H14 | 109.5° | 109.4° |
| N1 | C1 | H15 | 109.5° | 109.5° |
| C6 | C5 | N3 | 118.2° | 120.1° |
| C5 | C6 | H2 | 119.8° | 120.1° |
| C5 | N3 | C4 | 133.3° | 120.0° |
| C5 | N3 | H1 | 113.4° | 120.0° |
| O1 | C2 | N1 | 119.2° | 119.8° |
| O1 | C2 | C18 | 122.2° | 119.8° |
| C2 | N1 | C3 | 122.1° | 120.6° |
| N1 | C2 | C18 | 118.4° | 120.4° |
| N1 | C3 | N2 | 117.3° | 120.9° |
| N1 | C3 | C16 | 119.9° | 120.4° |
| C3 | N2 | C4 | 116.9° | 120.5° |
| N2 | C3 | C16 | 122.8° | 118.7° |
| N2 | C4 | N3 | 120.3° | 118.8° |
| N2 | C4 | N6 | 124.6° | 122.4° |
| C2 | C18 | C19 | 118.5° | 120.3° |
| C2 | C18 | C17 | 118.8° | 119.4° |
| N3 | C4 | N6 | 115.0° | 118.8° |
| C4 | N3 | H1 | 113.4° | 120.0° |
| C3 | C16 | C17 | 118.6° | 120.2° |
| C3 | C16 | C15 | 115.1° | 118.5° |
| C4 | N6 | C15 | 118.0° | 121.2° |
| C19 | C18 | C17 | 122.8° | 120.3° |
| C18 | C19 | C25 | 120.1° | 120.0° |
| C18 | C19 | C20 | 122.1° | 120.0° |
| C18 | C17 | C16 | 122.1° | 119.0° |
| C18 | C17 | H10 | 119.0° | 120.5° |
| C19 | C25 | C24 | 121.1° | 119.9° |
| C25 | C19 | C20 | 117.7° | 119.9° |
| C19 | C25 | H24 | 119.5° | 120.1° |
| C25 | C24 | C22 | 120.1° | 120.2° |
| C25 | C24 | H12 | 119.9° | 120.0° |
| C24 | C25 | H24 | 119.4° | 120.0° |
| C17 | C16 | C15 | 126.3° | 121.2° |
| C16 | C17 | H10 | 119.0° | 120.5° |
| C16 | C15 | N6 | 122.6° | 118.6° |
| C16 | C15 | H9 | 118.7° | 120.7° |
| C19 | C20 | CL1 | 119.9° | 120.1° |
| C19 | C20 | C21 | 121.9° | 119.8° |
| N6 | C15 | H9 | 118.7° | 120.7° |
| C24 | C22 | C21 | 120.5° | 120.1° |
| C24 | C22 | O4 | 119.0° | 119.9° |
| C22 | C24 | H12 | 120.0° | 119.9° |
| CL1 | C20 | C21 | 118.1° | 120.0° |
| C20 | C21 | C22 | 118.4° | 120.1° |
| C20 | C21 | H11 | 120.8° | 119.9° |
| C21 | C22 | O4 | 120.4° | 120.0° |
| C22 | C21 | H11 | 120.8° | 119.9° |
| C22 | O4 | C23 | 119.8° | 117.0° |
| O4 | C23 | H21 | 109.5° | 109.5° |
| O4 | C23 | H22 | 109.5° | 109.5° |
| O4 | C23 | H23 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.6° |
| H7 | C13 | H8 | 109.5° | 109.6° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.4° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H21 | C23 | H23 | 109.4° | 109.4° |
| H22 | C23 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | N5 | H16 | 120.2° | 120.0° |
| C10 | C11 | N5 | H17 | 120.2° | 120.0° |
| C11 | C10 | N4 | H5 | 119.9° | 119.7° |
| C11 | C10 | N4 | H6 | 120.0° | 120.0° |
| C10 | C11 | N5 | C12 | 20.0° | 63.1° |
| C11 | C10 | N4 | C13 | 66.6° | 51.2° |
| C11 | C10 | N4 | S1 | 71.1° | 128.7° |
| C11 | C10 | H5 | H6 | 120.2° | 120.6° |
| C10 | C11 | H16 | H17 | 119.3° | 120.1° |
| C10 | C11 | N5 | H25 | 100.2° | 61.0° |
| N5 | C11 | C10 | N4 | 43.3° | 53.9° |
| C11 | N5 | C12 | H25 | 120.1° | 124.2° |
| C11 | N5 | C12 | C13 | 65.6° | 63.1° |
| N5 | C11 | C10 | H5 | 76.6° | 173.5° |
| N5 | C11 | C10 | H6 | 163.3° | 66.0° |
| N5 | C11 | H16 | H17 | 119.3° | 120.0° |
| C11 | N5 | C12 | H18 | 174.2° | 56.8° |
| C11 | N5 | C12 | H19 | 54.6° | 176.9° |
| C10 | N4 | C13 | C12 | 21.6° | 51.1° |
| C10 | N4 | C13 | S1 | 137.6° | 179.9° |
| C10 | N4 | S1 | O3 | 40.9° | 156.4° |
| C10 | N4 | S1 | O2 | 87.6° | 23.5° |
| C10 | N4 | S1 | C9 | 156.2° | 90.0° |
| N4 | C10 | H5 | H6 | 120.2° | 120.4° |
| C10 | N4 | C13 | H7 | 141.6° | 68.6° |
| C10 | N4 | C13 | H8 | 98.4° | 171.0° |
| N4 | C10 | C11 | H16 | 76.9° | 173.8° |
| N4 | C10 | C11 | H17 | 163.6° | 66.1° |
| N5 | C12 | C13 | H18 | 120.2° | 120.0° |
| N5 | C12 | C13 | H19 | 120.2° | 120.0° |
| N5 | C12 | C13 | N4 | 42.6° | 53.8° |
| N5 | C12 | C13 | H7 | 77.4° | 65.9° |
| N5 | C12 | C13 | H8 | 162.6° | 173.7° |
| C12 | N5 | C11 | H16 | 140.2° | 176.9° |
| C12 | N5 | C11 | H17 | 100.3° | 56.9° |
| N5 | C12 | H18 | H19 | 119.6° | 120.1° |
| C12 | C13 | N4 | H7 | 120.0° | 119.7° |
| C12 | C13 | N4 | H8 | 120.0° | 119.8° |
| C12 | C13 | N4 | S1 | 116.0° | 128.8° |
| C12 | C13 | H7 | H8 | 119.9° | 120.4° |
| C13 | C12 | H18 | H19 | 119.5° | 120.0° |
| C13 | C12 | N5 | H25 | 54.5° | 61.1° |
| C13 | N4 | S1 | O3 | 176.3° | 23.5° |
| C13 | N4 | S1 | O2 | 47.8° | 156.4° |
| C13 | N4 | S1 | C9 | 68.4° | 90.0° |
| C13 | N4 | C10 | H5 | 53.3° | 170.9° |
| C13 | N4 | C10 | H6 | 173.4° | 68.8° |
| N4 | C13 | H7 | H8 | 119.9° | 120.6° |
| N4 | C13 | C12 | H18 | 162.8° | 66.1° |
| N4 | C13 | C12 | H19 | 77.6° | 173.8° |
| N4 | S1 | O3 | O2 | 120.8° | 122.9° |
| N4 | S1 | O3 | C9 | 115.2° | 114.1° |
| N4 | S1 | O2 | C9 | 115.9° | 114.1° |
| N4 | S1 | C9 | C8 | 47.4° | 90.0° |
| N4 | S1 | C9 | C14 | 133.1° | 89.8° |
| S1 | N4 | C10 | H5 | 169.0° | 9.1° |
| S1 | N4 | C10 | H6 | 48.8° | 111.3° |
| S1 | N4 | C13 | H7 | 4.1° | 111.5° |
| S1 | N4 | C13 | H8 | 124.0° | 8.9° |
| O3 | S1 | O2 | C9 | 123.9° | 123.0° |
| O3 | S1 | C9 | C8 | 66.6° | 23.5° |
| O3 | S1 | C9 | C14 | 113.0° | 156.7° |
| O2 | S1 | C9 | C8 | 162.9° | 156.4° |
| O2 | S1 | C9 | C14 | 17.6° | 23.7° |
| S1 | C9 | C8 | C14 | 179.6° | 179.8° |
| S1 | C9 | C8 | C7 | 179.3° | 179.9° |
| S1 | C9 | C14 | C5 | 179.7° | 179.7° |
| S1 | C9 | C8 | H4 | 0.7° | 0.2° |
| S1 | C9 | C14 | H20 | 0.3° | 0.1° |
| C9 | C8 | C7 | H4 | 180.0° | 179.8° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C8 | C9 | C14 | C5 | 0.1° | 0.4° |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C8 | C9 | C14 | H20 | 179.9° | 179.7° |
| C7 | C8 | C9 | C14 | 0.3° | 0.2° |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.7° | 0.0° |
| C8 | C7 | C6 | H2 | 179.3° | 180.0° |
| C9 | C14 | C5 | H20 | 180.0° | 179.9° |
| C9 | C14 | C5 | C6 | 0.8° | 0.4° |
| C9 | C14 | C5 | N3 | 179.2° | 179.8° |
| C14 | C9 | C8 | H4 | 179.7° | 180.0° |
| C7 | C6 | C5 | C14 | 1.2° | 0.2° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | N3 | 179.6° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 179.8° |
| C14 | C5 | C6 | N3 | 178.4° | 179.8° |
| C14 | C5 | N3 | C4 | 6.2° | 146.6° |
| C14 | C5 | N3 | H1 | 173.8° | 33.4° |
| C14 | C5 | C6 | H2 | 178.9° | 179.8° |
| C1 | N1 | C2 | O1 | 4.0° | 0.4° |
| C1 | N1 | C2 | C3 | 177.2° | 179.7° |
| C1 | N1 | C3 | N2 | 2.0° | 0.3° |
| C1 | N1 | C2 | C18 | 179.1° | 179.7° |
| C1 | N1 | C3 | C16 | 178.4° | 179.7° |
| N1 | C1 | H13 | H14 | 120.0° | 120.0° |
| N1 | C1 | H13 | H15 | 120.0° | 120.0° |
| N1 | C1 | H14 | H15 | 120.0° | 120.0° |
| C6 | C5 | N3 | C4 | 172.2° | 33.7° |
| C6 | C5 | N3 | H1 | 7.8° | 146.4° |
| C5 | C6 | C7 | H3 | 179.2° | 180.0° |
| C6 | C5 | C14 | H20 | 179.1° | 179.7° |
| C5 | N3 | C4 | N2 | 9.9° | 174.4° |
| C5 | N3 | C4 | H1 | 180.0° | 180.0° |
| C5 | N3 | C4 | N6 | 165.5° | 5.6° |
| N3 | C5 | C6 | H2 | 0.5° | 0.0° |
| N3 | C5 | C14 | H20 | 0.8° | 0.1° |
| O1 | C2 | N1 | C18 | 175.1° | 179.9° |
| O1 | C2 | N1 | C3 | 178.8° | 180.0° |
| O1 | C2 | C18 | C19 | 1.2° | 0.0° |
| O1 | C2 | C18 | C17 | 179.0° | 179.9° |
| C2 | N1 | C3 | N2 | 179.1° | 179.9° |
| C2 | N1 | C3 | C16 | 1.2° | 0.0° |
| N1 | C2 | C18 | C19 | 176.2° | 180.0° |
| N1 | C2 | C18 | C17 | 4.0° | 0.0° |
| C2 | N1 | C1 | H13 | 180.0° | 0.1° |
| C2 | N1 | C1 | H14 | 60.0° | 120.0° |
| C2 | N1 | C1 | H15 | 60.0° | 120.0° |
| N1 | C3 | N2 | C16 | 179.7° | 180.0° |
| N1 | C3 | N2 | C4 | 179.1° | 180.0° |
| C3 | N1 | C2 | C18 | 3.8° | 0.0° |
| N1 | C3 | C16 | C17 | 1.1° | 0.0° |
| N1 | C3 | C16 | C15 | 179.8° | 180.0° |
| C3 | N1 | C1 | H13 | 2.7° | 179.7° |
| C3 | N1 | C1 | H14 | 117.2° | 60.3° |
| C3 | N1 | C1 | H15 | 122.8° | 59.7° |
| C3 | N2 | C4 | N3 | 176.8° | 180.0° |
| C3 | N2 | C4 | N6 | 1.9° | 0.0° |
| N2 | C3 | C16 | C17 | 178.6° | 180.0° |
| N2 | C3 | C16 | C15 | 0.6° | 0.1° |
| N2 | C4 | N3 | N6 | 175.4° | 180.0° |
| C4 | N2 | C3 | C16 | 1.3° | 0.0° |
| N2 | C4 | N6 | C15 | 1.7° | 0.0° |
| N2 | C4 | N3 | H1 | 170.1° | 5.7° |
| C2 | C18 | C19 | C17 | 179.8° | 180.0° |
| C2 | C18 | C19 | C25 | 49.9° | 74.7° |
| C2 | C18 | C17 | C16 | 1.9° | 0.0° |
| C2 | C18 | C19 | C20 | 126.8° | 105.0° |
| C2 | C18 | C17 | H10 | 178.1° | 180.0° |
| N3 | C4 | N6 | C15 | 176.8° | 180.0° |
| C3 | C16 | C17 | C18 | 0.7° | 0.0° |
| C3 | C16 | C17 | C15 | 179.0° | 180.0° |
| C3 | C16 | C15 | N6 | 0.3° | 0.1° |
| C3 | C16 | C15 | H9 | 179.7° | 180.0° |
| C3 | C16 | C17 | H10 | 179.3° | 180.0° |
| C4 | N6 | C15 | C16 | 0.9° | 0.0° |
| N6 | C4 | N3 | H1 | 14.5° | 174.4° |
| C4 | N6 | C15 | H9 | 179.1° | 180.0° |
| C18 | C19 | C25 | C20 | 176.9° | 179.7° |
| C18 | C19 | C25 | C24 | 178.4° | 179.8° |
| C19 | C18 | C17 | C16 | 178.3° | 180.0° |
| C18 | C19 | C20 | CL1 | 1.3° | 0.0° |
| C18 | C19 | C20 | C21 | 177.9° | 179.8° |
| C19 | C18 | C17 | H10 | 1.7° | 0.0° |
| C18 | C19 | C25 | H24 | 1.6° | 0.1° |
| C17 | C18 | C19 | C25 | 129.9° | 105.3° |
| C18 | C17 | C16 | H10 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 179.7° | 180.0° |
| C17 | C18 | C19 | C20 | 53.4° | 75.0° |
| C19 | C25 | C24 | H24 | 180.0° | 179.7° |
| C19 | C25 | C24 | C22 | 6.2° | 0.3° |
| C25 | C19 | C20 | CL1 | 175.4° | 179.7° |
| C25 | C19 | C20 | C21 | 1.2° | 0.6° |
| C19 | C25 | C24 | H12 | 173.8° | 179.7° |
| C24 | C25 | C19 | C20 | 4.8° | 0.6° |
| C25 | C24 | C22 | H12 | 180.0° | 179.9° |
| C25 | C24 | C22 | C21 | 3.8° | 0.0° |
| C25 | C24 | C22 | O4 | 177.6° | 180.0° |
| C17 | C16 | C15 | N6 | 178.7° | 180.0° |
| C17 | C16 | C15 | H9 | 1.3° | 0.0° |
| C16 | C15 | N6 | H9 | 180.0° | 179.9° |
| C15 | C16 | C17 | H10 | 0.3° | 0.0° |
| C19 | C20 | CL1 | C21 | 176.7° | 179.8° |
| C19 | C20 | C21 | C22 | 1.1° | 0.2° |
| C19 | C20 | C21 | H11 | 178.9° | 179.7° |
| C20 | C19 | C25 | H24 | 175.2° | 179.7° |
| C24 | C22 | C21 | C20 | 0.3° | 0.0° |
| C24 | C22 | C21 | O4 | 178.5° | 179.9° |
| C24 | C22 | O4 | C23 | 176.1° | 0.0° |
| C24 | C22 | C21 | H11 | 179.7° | 180.0° |
| C22 | C24 | C25 | H24 | 173.8° | 180.0° |
| CL1 | C20 | C21 | C22 | 177.7° | 180.0° |
| CL1 | C20 | C21 | H11 | 2.3° | 0.0° |
| C20 | C21 | C22 | H11 | 180.0° | 180.0° |
| C20 | C21 | C22 | O4 | 178.8° | 180.0° |
| C21 | C22 | O4 | C23 | 2.4° | 180.0° |
| C21 | C22 | C24 | H12 | 176.1° | 179.9° |
| O4 | C22 | C21 | H11 | 1.2° | 0.0° |
| O4 | C22 | C24 | H12 | 2.4° | 0.0° |
| C22 | O4 | C23 | H21 | 180.0° | 60.0° |
| C22 | O4 | C23 | H22 | 60.0° | 60.0° |
| C22 | O4 | C23 | H23 | 60.0° | 180.0° |
| O4 | C23 | H21 | H22 | 120.0° | 120.1° |
| O4 | C23 | H21 | H23 | 120.0° | 120.0° |
| O4 | C23 | H22 | H23 | 120.0° | 120.0° |
| H2 | C6 | C7 | H3 | 0.7° | 0.0° |
| H3 | C7 | C8 | H4 | 0.0° | 0.2° |
| H5 | C10 | C11 | H16 | 163.2° | 66.5° |
| H5 | C10 | C11 | H17 | 43.6° | 53.6° |
| H6 | C10 | C11 | H16 | 43.1° | 53.9° |
| H6 | C10 | C11 | H17 | 76.5° | 174.1° |
| H7 | C13 | C12 | H18 | 42.7° | 174.1° |
| H7 | C13 | C12 | H19 | 162.4° | 54.1° |
| H8 | C13 | C12 | H18 | 77.2° | 53.8° |
| H8 | C13 | C12 | H19 | 42.4° | 66.2° |
| H12 | C24 | C25 | H24 | 6.2° | 0.0° |
| H13 | C1 | H14 | H15 | 120.0° | 120.0° |
| H16 | C11 | N5 | H25 | 20.1° | 58.9° |
| H17 | C11 | N5 | H25 | 139.6° | 179.0° |
| H18 | C12 | N5 | H25 | 65.6° | 179.0° |
| H19 | C12 | N5 | H25 | 174.7° | 58.9° |
| H21 | C23 | H22 | H23 | 119.9° | 119.9° |
