XJ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | N5 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| N5 | C6 | sing | 1.47Å | 1.45Å | |
| C19 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C3 | sing | 1.47Å | 1.46Å | |
| N2 | C1 | sing | 1.47Å | 1.46Å | |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | N13 | sing | 1.40Å | 1.45Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.53Å | |
| N13 | C12 | sing | 1.39Å | 1.45Å | |
| N11 | C10 | doub | 1.33Å | 1.32Å | Aromatic |
| N11 | C12 | sing | 1.33Å | 1.32Å | Aromatic |
| C10 | N30 | sing | 1.32Å | 1.32Å | Aromatic |
| C12 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| N30 | C22 | doub | 1.33Å | 1.32Å | Aromatic |
| C20 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C29 | C28 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | sing | 1.48Å | 1.53Å | |
| C28 | C23 | sing | 1.42Å | 1.40Å | Aromatic |
| C28 | N27 | doub | 1.30Å | 1.34Å | Aromatic |
| C23 | C24 | doub | 1.37Å | 1.38Å | Aromatic |
| N27 | O26 | sing | 1.21Å | 1.37Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | O26 | sing | 1.34Å | 1.32Å | 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 | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| C32 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | H27 | sing | 1.08Å | 1.08Å | |
| N2 | H28 | sing | 1.01Å | 1.00Å | |
| N5 | H30 | sing | 1.01Å | 1.00Å | |
| N13 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C18 | C17 | C16 | 120.6° | 120.2° |
| C18 | C17 | H13 | 119.7° | 119.9° |
| C17 | C18 | H14 | 120.1° | 120.0° |
| C18 | C19 | C14 | 119.7° | 119.9° |
| C19 | C18 | H14 | 120.1° | 120.0° |
| C18 | C19 | H15 | 120.1° | 120.1° |
| C17 | C16 | C15 | 119.5° | 120.0° |
| C17 | C16 | H12 | 120.2° | 120.0° |
| C16 | C17 | H13 | 119.7° | 120.0° |
| N5 | C4 | C3 | 110.9° | 109.4° |
| C4 | N5 | C6 | 109.8° | 111.0° |
| N5 | C4 | H6 | 109.1° | 109.4° |
| N5 | C4 | H7 | 109.1° | 109.5° |
| C4 | N5 | H30 | 109.4° | 111.0° |
| C4 | C3 | N2 | 109.7° | 109.5° |
| C4 | C3 | H4 | 109.4° | 109.5° |
| C4 | C3 | H5 | 109.4° | 109.5° |
| C3 | C4 | H6 | 109.1° | 109.5° |
| C3 | C4 | H7 | 109.1° | 109.5° |
| N5 | C6 | C7 | 109.6° | 109.5° |
| N5 | C6 | H8 | 109.4° | 109.4° |
| N5 | C6 | H9 | 109.4° | 109.5° |
| C6 | N5 | H30 | 109.4° | 111.0° |
| C19 | C14 | C15 | 120.6° | 119.8° |
| C19 | C14 | N13 | 118.5° | 120.1° |
| C14 | C19 | H15 | 120.2° | 120.0° |
| C16 | C15 | C14 | 119.8° | 120.0° |
| C16 | C15 | H11 | 120.1° | 120.0° |
| C15 | C16 | H12 | 120.3° | 120.0° |
| C3 | N2 | C1 | 110.2° | 111.0° |
| N2 | C3 | H4 | 109.4° | 109.5° |
| N2 | C3 | H5 | 109.4° | 109.5° |
| C3 | N2 | H28 | 109.3° | 111.0° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.5° | 109.5° |
| N2 | C1 | H3 | 109.4° | 109.5° |
| C1 | N2 | H28 | 109.3° | 111.0° |
| C32 | C33 | C7 | 120.5° | 120.2° |
| C33 | C32 | C31 | 120.0° | 120.1° |
| C33 | C32 | H26 | 120.0° | 119.9° |
| C32 | C33 | H27 | 119.7° | 119.9° |
| C33 | C7 | C6 | 121.1° | 119.9° |
| C33 | C7 | C8 | 119.5° | 120.2° |
| C7 | C33 | H27 | 119.8° | 119.9° |
| C32 | C31 | C9 | 118.9° | 119.9° |
| C32 | C31 | H25 | 120.6° | 120.1° |
| C31 | C32 | H26 | 120.0° | 119.9° |
| C15 | C14 | N13 | 121.0° | 120.1° |
| C14 | C15 | H11 | 120.1° | 120.0° |
| C14 | N13 | C12 | 123.6° | 120.0° |
| C14 | N13 | H32 | 118.2° | 120.0° |
| C6 | C7 | C8 | 119.4° | 119.9° |
| C7 | C6 | H8 | 109.4° | 109.5° |
| C7 | C6 | H9 | 109.4° | 109.5° |
| C7 | C8 | C9 | 119.8° | 119.8° |
| C7 | C8 | H10 | 120.1° | 120.1° |
| C31 | C9 | C8 | 121.2° | 119.7° |
| C31 | C9 | C10 | 121.2° | 120.1° |
| C9 | C31 | H25 | 120.6° | 120.0° |
| C8 | C9 | C10 | 117.5° | 120.1° |
| C9 | C8 | H10 | 120.1° | 120.0° |
| C9 | C10 | N11 | 120.7° | 119.1° |
| C9 | C10 | N30 | 116.5° | 119.2° |
| N13 | C12 | N11 | 123.1° | 120.5° |
| N13 | C12 | C20 | 118.1° | 120.4° |
| C12 | N13 | H32 | 118.2° | 120.1° |
| C10 | N11 | C12 | 120.2° | 120.8° |
| N11 | C10 | N30 | 122.8° | 121.8° |
| N11 | C12 | C20 | 118.8° | 119.2° |
| C10 | N30 | C22 | 120.8° | 120.8° |
| C12 | C20 | C22 | 119.6° | 118.3° |
| C12 | C20 | C21 | 117.6° | 120.8° |
| N30 | C22 | C20 | 117.8° | 119.1° |
| N30 | C22 | C23 | 117.2° | 120.5° |
| C22 | C20 | C21 | 122.9° | 120.8° |
| C20 | C22 | C23 | 125.0° | 120.4° |
| C20 | C21 | H16 | 109.5° | 109.4° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C20 | C21 | H18 | 109.5° | 109.5° |
| C29 | C28 | C23 | 126.4° | 126.9° |
| C29 | C28 | N27 | 126.6° | 126.8° |
| C28 | C29 | H22 | 109.5° | 109.5° |
| C28 | C29 | H23 | 109.5° | 109.5° |
| C28 | C29 | H24 | 109.5° | 109.4° |
| C22 | C23 | C28 | 125.4° | 128.2° |
| C22 | C23 | C24 | 127.1° | 128.2° |
| C23 | C28 | N27 | 107.0° | 106.3° |
| C28 | C23 | C24 | 107.5° | 103.6° |
| C28 | N27 | O26 | 107.6° | 112.0° |
| C23 | C24 | C25 | 126.6° | 126.9° |
| C23 | C24 | O26 | 107.0° | 106.2° |
| N27 | O26 | C24 | 110.8° | 111.9° |
| C25 | C24 | O26 | 126.4° | 126.9° |
| C24 | C25 | H19 | 109.5° | 109.5° |
| C24 | C25 | H20 | 109.5° | 109.5° |
| C24 | C25 | H21 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H18 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.4° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H19 | C25 | H21 | 109.5° | 109.4° |
| H20 | C25 | H21 | 109.5° | 109.4° |
| H22 | C29 | H23 | 109.5° | 109.5° |
| H22 | C29 | H24 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H14 | 180.0° | 179.7° |
| C18 | C17 | C16 | H13 | 180.0° | 179.9° |
| C17 | C18 | C19 | C14 | 0.4° | 0.6° |
| C18 | C17 | C16 | C15 | 0.0° | 0.0° |
| C18 | C17 | C16 | H12 | 180.0° | 180.0° |
| C17 | C18 | C19 | H15 | 179.6° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.3° |
| C18 | C19 | C14 | H15 | 180.0° | 179.3° |
| C18 | C19 | C14 | C15 | 1.0° | 0.6° |
| C18 | C19 | C14 | N13 | 179.8° | 179.7° |
| C19 | C18 | C17 | H13 | 180.0° | 179.7° |
| C17 | C16 | C15 | H12 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.6° | 0.0° |
| C17 | C16 | C15 | H11 | 179.4° | 180.0° |
| C16 | C17 | C18 | H14 | 179.9° | 179.9° |
| N5 | C4 | C3 | H6 | 120.2° | 119.9° |
| N5 | C4 | C3 | H7 | 120.2° | 120.0° |
| C4 | N5 | C6 | H30 | 120.1° | 124.0° |
| N5 | C4 | C3 | N2 | 174.8° | 180.0° |
| C4 | N5 | C6 | C7 | 177.9° | 180.0° |
| N5 | C4 | C3 | H4 | 54.8° | 60.0° |
| N5 | C4 | C3 | H5 | 65.1° | 60.0° |
| N5 | C4 | H6 | H7 | 119.3° | 120.1° |
| C4 | N5 | C6 | H8 | 62.1° | 60.0° |
| C4 | N5 | C6 | H9 | 57.9° | 60.0° |
| C3 | C4 | N5 | C6 | 74.6° | 180.0° |
| C4 | C3 | N2 | H4 | 120.0° | 120.0° |
| C4 | C3 | N2 | H5 | 120.0° | 120.0° |
| C4 | C3 | N2 | C1 | 173.1° | 180.0° |
| C4 | C3 | H4 | H5 | 119.9° | 120.0° |
| C3 | C4 | H6 | H7 | 119.3° | 120.0° |
| C4 | C3 | N2 | H28 | 66.8° | 56.0° |
| C3 | C4 | N5 | H30 | 165.4° | 56.1° |
| N5 | C6 | C7 | C33 | 90.6° | 90.3° |
| N5 | C6 | C7 | H8 | 120.0° | 120.0° |
| N5 | C6 | C7 | H9 | 120.0° | 120.0° |
| N5 | C6 | C7 | C8 | 88.5° | 90.0° |
| C6 | N5 | C4 | H6 | 165.2° | 60.0° |
| C6 | N5 | C4 | H7 | 45.6° | 60.0° |
| N5 | C6 | H8 | H9 | 119.9° | 120.0° |
| C19 | C14 | C15 | C16 | 1.1° | 0.3° |
| C19 | C14 | C15 | N13 | 178.7° | 179.7° |
| C19 | C14 | N13 | C12 | 151.6° | 147.2° |
| C19 | C14 | C15 | H11 | 178.9° | 179.7° |
| C14 | C19 | C18 | H14 | 179.6° | 179.6° |
| C19 | C14 | N13 | H32 | 28.5° | 32.8° |
| C16 | C15 | C14 | H11 | 180.0° | 180.0° |
| C16 | C15 | C14 | N13 | 179.8° | 179.9° |
| C15 | C16 | C17 | H13 | 180.0° | 179.9° |
| C3 | N2 | C1 | H28 | 120.1° | 124.0° |
| C3 | N2 | C1 | H1 | 180.0° | 60.0° |
| C3 | N2 | C1 | H2 | 60.0° | 60.0° |
| C3 | N2 | C1 | H3 | 60.0° | 180.0° |
| N2 | C3 | H4 | H5 | 119.9° | 120.0° |
| N2 | C3 | C4 | H6 | 65.0° | 60.1° |
| N2 | C3 | C4 | H7 | 54.6° | 60.0° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N2 | C3 | H4 | 53.0° | 60.0° |
| C1 | N2 | C3 | H5 | 66.9° | 60.0° |
| C32 | C33 | C7 | H27 | 180.0° | 179.4° |
| C33 | C32 | C31 | H26 | 180.0° | 179.7° |
| C32 | C33 | C7 | C6 | 179.3° | 179.7° |
| C32 | C33 | C7 | C8 | 0.2° | 0.6° |
| C33 | C32 | C31 | C9 | 0.3° | 0.3° |
| C33 | C32 | C31 | H25 | 179.7° | 179.7° |
| C7 | C33 | C32 | C31 | 0.0° | 0.6° |
| C33 | C7 | C6 | C8 | 179.1° | 179.7° |
| C33 | C7 | C8 | C9 | 0.2° | 0.3° |
| C33 | C7 | C6 | H8 | 149.4° | 29.7° |
| C33 | C7 | C6 | H9 | 29.4° | 149.7° |
| C33 | C7 | C8 | H10 | 179.9° | 179.7° |
| C7 | C33 | C32 | H26 | 180.0° | 179.7° |
| C32 | C31 | C9 | H25 | 180.0° | 180.0° |
| C32 | C31 | C9 | C8 | 0.3° | 0.0° |
| C32 | C31 | C9 | C10 | 179.3° | 180.0° |
| C31 | C32 | C33 | H27 | 180.0° | 180.0° |
| C15 | C14 | N13 | C12 | 29.7° | 33.1° |
| C14 | C15 | C16 | H12 | 179.4° | 180.0° |
| C15 | C14 | C19 | H15 | 179.0° | 180.0° |
| C15 | C14 | N13 | H32 | 150.3° | 146.9° |
| C14 | N13 | C12 | H32 | 180.0° | 180.0° |
| C14 | N13 | C12 | N11 | 16.3° | 6.1° |
| C14 | N13 | C12 | C20 | 164.0° | 174.2° |
| N13 | C14 | C15 | H11 | 0.2° | 0.1° |
| N13 | C14 | C19 | H15 | 0.2° | 0.4° |
| C6 | C7 | C8 | C9 | 179.3° | 180.0° |
| C7 | C6 | H8 | H9 | 119.9° | 120.0° |
| C6 | C7 | C8 | H10 | 0.7° | 0.0° |
| C6 | C7 | C33 | H27 | 0.7° | 0.3° |
| C7 | C6 | N5 | H30 | 57.8° | 56.0° |
| C7 | C8 | C9 | C31 | 0.1° | 0.0° |
| C7 | C8 | C9 | H10 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 179.1° | 180.0° |
| C8 | C7 | C6 | H8 | 31.5° | 150.0° |
| C8 | C7 | C6 | H9 | 151.5° | 30.0° |
| C8 | C7 | C33 | H27 | 179.8° | 180.0° |
| C31 | C9 | C8 | C10 | 178.9° | 179.9° |
| C31 | C9 | C10 | N11 | 39.7° | 179.7° |
| C31 | C9 | C10 | N30 | 140.5° | 0.0° |
| C31 | C9 | C8 | H10 | 179.9° | 180.0° |
| C9 | C31 | C32 | H26 | 179.7° | 180.0° |
| C8 | C9 | C10 | N11 | 141.4° | 0.3° |
| C8 | C9 | C10 | N30 | 38.4° | 180.0° |
| C8 | C9 | C31 | H25 | 179.6° | 180.0° |
| C9 | C10 | N11 | N30 | 179.8° | 179.7° |
| C9 | C10 | N11 | C12 | 179.9° | 180.0° |
| C9 | C10 | N30 | C22 | 179.8° | 180.0° |
| C10 | C9 | C8 | H10 | 0.9° | 0.0° |
| C10 | C9 | C31 | H25 | 0.7° | 0.0° |
| N13 | C12 | N11 | C10 | 179.8° | 179.7° |
| N13 | C12 | N11 | C20 | 179.7° | 179.7° |
| N13 | C12 | C20 | C22 | 179.8° | 180.0° |
| N13 | C12 | C20 | C21 | 0.1° | 0.3° |
| C10 | N11 | C12 | C20 | 0.1° | 0.0° |
| N11 | C10 | N30 | C22 | 0.4° | 0.3° |
| C12 | N11 | C10 | N30 | 0.1° | 0.3° |
| N11 | C12 | C20 | C22 | 0.4° | 0.3° |
| N11 | C12 | C20 | C21 | 179.8° | 180.0° |
| N11 | C12 | N13 | H32 | 163.8° | 173.9° |
| C10 | N30 | C22 | C20 | 0.7° | 0.0° |
| C10 | N30 | C22 | C23 | 180.0° | 179.7° |
| C12 | C20 | C22 | N30 | 0.7° | 0.3° |
| C12 | C20 | C22 | C21 | 179.7° | 179.7° |
| C12 | C20 | C22 | C23 | 180.0° | 180.0° |
| C12 | C20 | C21 | H16 | 90.1° | 89.8° |
| C12 | C20 | C21 | H17 | 149.9° | 150.2° |
| C12 | C20 | C21 | H18 | 29.9° | 30.2° |
| C20 | C12 | N13 | H32 | 16.0° | 5.8° |
| N30 | C22 | C20 | C23 | 179.3° | 179.7° |
| N30 | C22 | C20 | C21 | 179.5° | 180.0° |
| N30 | C22 | C23 | C28 | 65.4° | 114.9° |
| N30 | C22 | C23 | C24 | 112.3° | 64.7° |
| C20 | C22 | C23 | C28 | 113.9° | 64.8° |
| C20 | C22 | C23 | C24 | 68.5° | 115.6° |
| C22 | C20 | C21 | H16 | 90.2° | 89.9° |
| C22 | C20 | C21 | H17 | 29.9° | 30.1° |
| C22 | C20 | C21 | H18 | 149.8° | 150.1° |
| C21 | C20 | C22 | C23 | 0.3° | 0.3° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H18 | 120.0° | 120.0° |
| C20 | C21 | H17 | H18 | 120.0° | 120.0° |
| C29 | C28 | C23 | C22 | 1.9° | 0.1° |
| C29 | C28 | C23 | N27 | 178.9° | 179.9° |
| C29 | C28 | C23 | C24 | 180.0° | 179.8° |
| C29 | C28 | N27 | O26 | 179.9° | 179.9° |
| C28 | C29 | H22 | H23 | 120.0° | 120.0° |
| C28 | C29 | H22 | H24 | 120.0° | 120.0° |
| C28 | C29 | H23 | H24 | 120.0° | 119.9° |
| C22 | C23 | C28 | C24 | 178.0° | 179.7° |
| C22 | C23 | C28 | N27 | 179.2° | 180.0° |
| C22 | C23 | C24 | C25 | 2.4° | 0.0° |
| C22 | C23 | C24 | O26 | 178.8° | 180.0° |
| C23 | C28 | N27 | O26 | 1.0° | 0.2° |
| C28 | C23 | C24 | C25 | 179.6° | 179.7° |
| C28 | C23 | C24 | O26 | 0.8° | 0.3° |
| C23 | C28 | C29 | H22 | 178.7° | 84.0° |
| C23 | C28 | C29 | H23 | 58.7° | 155.9° |
| C23 | C28 | C29 | H24 | 61.3° | 36.0° |
| N27 | C28 | C23 | C24 | 1.1° | 0.3° |
| C28 | N27 | O26 | C24 | 0.6° | 0.0° |
| N27 | C28 | C29 | H22 | 0.0° | 95.8° |
| N27 | C28 | C29 | H23 | 120.0° | 24.2° |
| N27 | C28 | C29 | H24 | 120.0° | 144.2° |
| C23 | C24 | O26 | N27 | 0.2° | 0.3° |
| C23 | C24 | C25 | O26 | 178.5° | 180.0° |
| C23 | C24 | C25 | H19 | 178.5° | 90.0° |
| C23 | C24 | C25 | H20 | 61.5° | 149.9° |
| C23 | C24 | C25 | H21 | 58.5° | 30.0° |
| N27 | O26 | C24 | C25 | 178.9° | 179.8° |
| C24 | C25 | H19 | H20 | 120.0° | 120.0° |
| C24 | C25 | H19 | H21 | 120.0° | 120.1° |
| C24 | C25 | H20 | H21 | 120.0° | 120.0° |
| O26 | C24 | C25 | H19 | 0.0° | 90.0° |
| O26 | C24 | C25 | H20 | 120.0° | 30.0° |
| O26 | C24 | C25 | H21 | 120.0° | 150.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | N2 | H28 | 59.9° | 176.1° |
| H2 | C1 | N2 | H28 | 179.9° | 63.9° |
| H3 | C1 | N2 | H28 | 60.1° | 56.0° |
| H4 | C3 | C4 | H6 | 175.0° | 60.0° |
| H4 | C3 | C4 | H7 | 65.4° | 180.0° |
| H4 | C3 | N2 | H28 | 173.1° | 176.0° |
| H5 | C3 | C4 | H6 | 55.1° | 179.9° |
| H5 | C3 | C4 | H7 | 174.7° | 60.0° |
| H5 | C3 | N2 | H28 | 53.2° | 64.0° |
| H6 | C4 | N5 | H30 | 45.2° | 176.0° |
| H7 | C4 | N5 | H30 | 74.4° | 63.9° |
| H8 | C6 | N5 | H30 | 177.8° | 64.0° |
| H9 | C6 | N5 | H30 | 62.2° | 176.0° |
| H11 | C15 | C16 | H12 | 0.6° | 0.0° |
| H12 | C16 | C17 | H13 | 0.0° | 0.0° |
| H13 | C17 | C18 | H14 | 0.1° | 0.0° |
| H14 | C18 | C19 | H15 | 0.4° | 0.3° |
| H16 | C21 | H17 | H18 | 120.0° | 120.0° |
| H19 | C25 | H20 | H21 | 120.0° | 119.9° |
| H22 | C29 | H23 | H24 | 120.0° | 120.0° |
| H25 | C31 | C32 | H26 | 0.3° | 0.0° |
| H26 | C32 | C33 | H27 | 0.0° | 0.3° |
