XSH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.38Å | 1.33Å | |
| C1 | N2 | doub | 1.33Å | 1.36Å | Aromatic |
| C1 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| N2 | C2 | sing | 1.33Å | 1.33Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.45Å | Aromatic |
| C2 | N6 | sing | 1.38Å | 1.34Å | |
| C3 | C4 | sing | 1.40Å | 1.44Å | Aromatic |
| C3 | C8 | sing | 1.42Å | 1.42Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | O1 | sing | 1.36Å | 1.35Å | |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | N3 | doub | 1.34Å | 1.38Å | Aromatic |
| O1 | C9 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C14 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C13 | sing | 1.47Å | 1.47Å | |
| N4 | C15 | sing | 1.35Å | 1.36Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | O2 | doub | 1.21Å | 1.24Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | N5 | sing | 1.46Å | 1.46Å | |
| C17 | C18 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | trip | 1.17Å | 1.19Å | |
| N5 | C20 | sing | 1.35Å | 1.34Å | |
| C20 | O3 | doub | 1.21Å | 1.25Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.05Å | 1.06Å | |
| N5 | H21 | sing | 0.97Å | 1.00Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N2 | 116.6° | 118.6° |
| N1 | C1 | N3 | 117.8° | 118.6° |
| C1 | N1 | H1 | 109.5° | 120.0° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| N2 | C1 | N3 | 125.7° | 122.8° |
| C1 | N2 | C2 | 118.6° | 121.4° |
| C1 | N3 | C8 | 116.4° | 120.3° |
| N2 | C2 | C3 | 121.8° | 118.3° |
| N2 | C2 | N6 | 115.0° | 120.8° |
| C3 | C2 | N6 | 123.3° | 120.8° |
| C2 | C3 | C4 | 126.8° | 122.0° |
| C2 | C3 | C8 | 115.3° | 118.4° |
| C2 | N6 | H24 | 109.5° | 120.0° |
| C2 | N6 | H25 | 109.5° | 120.0° |
| C4 | C3 | C8 | 117.9° | 119.6° |
| C3 | C4 | C5 | 120.9° | 119.3° |
| C3 | C4 | O1 | 117.2° | 120.3° |
| C3 | C8 | C7 | 119.8° | 119.4° |
| C3 | C8 | N3 | 122.2° | 118.8° |
| C5 | C4 | O1 | 121.8° | 120.4° |
| C4 | C5 | C6 | 119.4° | 120.7° |
| C4 | C5 | H3 | 120.3° | 119.6° |
| C4 | O1 | C9 | 121.4° | 117.0° |
| C5 | C6 | C7 | 121.9° | 121.1° |
| C6 | C5 | H3 | 120.3° | 119.7° |
| C5 | C6 | H4 | 119.1° | 119.5° |
| C6 | C7 | C8 | 120.0° | 119.9° |
| C7 | C6 | H4 | 119.1° | 119.5° |
| C6 | C7 | H5 | 120.0° | 120.1° |
| C7 | C8 | N3 | 117.8° | 121.8° |
| C8 | C7 | H5 | 120.0° | 120.1° |
| O1 | C9 | C10 | 109.4° | 109.5° |
| O1 | C9 | H7 | 109.5° | 109.5° |
| O1 | C9 | H6 | 109.5° | 109.5° |
| C9 | C10 | C11 | 110.3° | 109.5° |
| C9 | C10 | C14 | 110.9° | 109.5° |
| C10 | C9 | H7 | 109.5° | 109.5° |
| C10 | C9 | H6 | 109.5° | 109.5° |
| C9 | C10 | H8 | 108.4° | 109.5° |
| C11 | C10 | C14 | 110.7° | 109.5° |
| C10 | C11 | C12 | 111.4° | 109.3° |
| C11 | C10 | H8 | 108.2° | 109.4° |
| C10 | C11 | H10 | 109.0° | 109.5° |
| C10 | C11 | H9 | 109.0° | 109.4° |
| C10 | C14 | C13 | 114.1° | 109.3° |
| C14 | C10 | H8 | 108.2° | 109.4° |
| C10 | C14 | H15 | 108.3° | 109.4° |
| C10 | C14 | H16 | 108.3° | 109.5° |
| C11 | C12 | N4 | 110.4° | 108.8° |
| C12 | C11 | H10 | 108.9° | 109.6° |
| C12 | C11 | H9 | 109.0° | 109.5° |
| C11 | C12 | H12 | 109.2° | 109.6° |
| C11 | C12 | H11 | 109.2° | 109.5° |
| C12 | N4 | C13 | 112.8° | 118.7° |
| C12 | N4 | C15 | 127.4° | 120.7° |
| N4 | C12 | H12 | 109.2° | 109.6° |
| N4 | C12 | H11 | 109.2° | 109.6° |
| C13 | N4 | C15 | 119.8° | 120.6° |
| N4 | C13 | C14 | 111.4° | 108.8° |
| N4 | C13 | H14 | 109.0° | 109.6° |
| N4 | C13 | H13 | 109.0° | 109.5° |
| N4 | C15 | O2 | 121.5° | 120.0° |
| N4 | C15 | C16 | 124.8° | 120.0° |
| C14 | C13 | H14 | 109.0° | 109.6° |
| C14 | C13 | H13 | 109.0° | 109.6° |
| C13 | C14 | H15 | 108.3° | 109.5° |
| C13 | C14 | H16 | 108.3° | 109.5° |
| O2 | C15 | C16 | 113.6° | 120.0° |
| C15 | C16 | C17 | 125.6° | 109.5° |
| C15 | C16 | N5 | 100.2° | 109.5° |
| C15 | C16 | H17 | 107.1° | 109.5° |
| C17 | C16 | N5 | 107.5° | 109.5° |
| C16 | C17 | C18 | 110.1° | 109.5° |
| C17 | C16 | H17 | 107.2° | 109.5° |
| C16 | C17 | H19 | 109.3° | 109.5° |
| C16 | C17 | H18 | 109.3° | 109.4° |
| C16 | N5 | C20 | 127.2° | 120.0° |
| N5 | C16 | H17 | 108.0° | 109.4° |
| C16 | N5 | H21 | 116.4° | 120.0° |
| C17 | C18 | C19 | 169.2° | 180.0° |
| C18 | C17 | H19 | 109.3° | 109.5° |
| C18 | C17 | H18 | 109.3° | 109.4° |
| C18 | C19 | H20 | 180.0° | 180.0° |
| N5 | C20 | O3 | 124.1° | 120.0° |
| N5 | C20 | C21 | 111.6° | 120.0° |
| C20 | N5 | H21 | 116.4° | 120.0° |
| O3 | C20 | C21 | 124.3° | 120.0° |
| C20 | C21 | H23 | 109.5° | 109.5° |
| C20 | C21 | H22 | 109.5° | 109.5° |
| C20 | C21 | H26 | 109.5° | 109.4° |
| H1 | N1 | H2 | 109.5° | 120.0° |
| H7 | C9 | H6 | 109.5° | 109.5° |
| H10 | C11 | H9 | 109.5° | 109.5° |
| H12 | C12 | H11 | 109.5° | 109.7° |
| H14 | C13 | H13 | 109.5° | 109.7° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H19 | C17 | H18 | 109.5° | 109.5° |
| H23 | C21 | H22 | 109.5° | 109.5° |
| H23 | C21 | H26 | 109.4° | 109.5° |
| H22 | C21 | H26 | 109.5° | 109.5° |
| H24 | N6 | H25 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | N3 | 179.3° | 179.8° |
| N1 | C1 | N2 | C2 | 178.8° | 180.0° |
| N1 | C1 | N3 | C8 | 179.1° | 179.8° |
| C1 | N1 | H1 | H2 | 120.0° | 179.7° |
| C1 | N2 | C2 | C3 | 1.2° | 0.0° |
| C1 | N2 | C2 | N6 | 179.0° | 180.0° |
| N2 | C1 | N3 | C8 | 1.6° | 0.5° |
| N2 | C1 | N1 | H1 | 0.0° | 0.0° |
| N2 | C1 | N1 | H2 | 120.0° | 179.7° |
| N3 | C1 | N2 | C2 | 0.5° | 0.2° |
| C1 | N3 | C8 | C3 | 3.2° | 0.5° |
| C1 | N3 | C8 | C7 | 179.8° | 179.8° |
| N3 | C1 | N1 | H1 | 179.3° | 179.8° |
| N3 | C1 | N1 | H2 | 60.6° | 0.5° |
| N2 | C2 | C3 | N6 | 179.8° | 180.0° |
| N2 | C2 | C3 | C4 | 178.1° | 180.0° |
| N2 | C2 | C3 | C8 | 0.3° | 0.0° |
| N2 | C2 | N6 | H24 | 0.0° | 157.9° |
| N2 | C2 | N6 | H25 | 120.0° | 22.1° |
| C2 | C3 | C4 | C8 | 177.7° | 180.0° |
| C2 | C3 | C4 | C5 | 180.0° | 180.0° |
| C2 | C3 | C4 | O1 | 0.6° | 0.0° |
| C2 | C3 | C8 | C7 | 179.1° | 180.0° |
| C2 | C3 | C8 | N3 | 2.5° | 0.3° |
| C3 | C2 | N6 | H24 | 179.8° | 22.1° |
| C3 | C2 | N6 | H25 | 60.2° | 157.9° |
| N6 | C2 | C3 | C4 | 1.7° | 0.0° |
| N6 | C2 | C3 | C8 | 179.5° | 180.0° |
| C2 | N6 | H24 | H25 | 120.0° | 180.0° |
| C3 | C4 | C5 | O1 | 179.3° | 179.9° |
| C3 | C4 | C5 | C6 | 1.4° | 0.1° |
| C4 | C3 | C8 | C7 | 2.9° | 0.0° |
| C4 | C3 | C8 | N3 | 179.5° | 179.8° |
| C3 | C4 | O1 | C9 | 174.2° | 180.0° |
| C3 | C4 | C5 | H3 | 178.6° | 180.0° |
| C8 | C3 | C4 | C5 | 2.3° | 0.1° |
| C8 | C3 | C4 | O1 | 178.3° | 180.0° |
| C3 | C8 | C7 | C6 | 2.8° | 0.0° |
| C3 | C8 | C7 | N3 | 176.7° | 179.7° |
| C3 | C8 | C7 | H5 | 177.2° | 180.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 1.2° | 0.1° |
| C5 | C4 | O1 | C9 | 6.4° | 0.0° |
| C4 | C5 | C6 | H4 | 178.8° | 179.9° |
| O1 | C4 | C5 | C6 | 179.2° | 180.0° |
| C4 | O1 | C9 | C10 | 168.5° | 180.0° |
| O1 | C4 | C5 | H3 | 0.7° | 0.0° |
| C4 | O1 | C9 | H7 | 48.5° | 60.1° |
| C4 | O1 | C9 | H6 | 71.5° | 60.0° |
| C5 | C6 | C7 | H4 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.9° | 0.0° |
| C5 | C6 | C7 | H5 | 178.1° | 180.0° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | N3 | 179.5° | 179.7° |
| C7 | C6 | C5 | H3 | 178.8° | 180.0° |
| C8 | C7 | C6 | H4 | 178.1° | 179.9° |
| N3 | C8 | C7 | H5 | 0.6° | 0.3° |
| O1 | C9 | C10 | H7 | 120.0° | 120.0° |
| O1 | C9 | C10 | H6 | 120.0° | 120.0° |
| O1 | C9 | C10 | C11 | 174.5° | 175.0° |
| O1 | C9 | C10 | C14 | 62.5° | 64.9° |
| O1 | C9 | H7 | H6 | 120.1° | 120.0° |
| O1 | C9 | C10 | H8 | 56.1° | 55.0° |
| C9 | C10 | C11 | C14 | 123.1° | 120.1° |
| C9 | C10 | C11 | H8 | 118.5° | 120.0° |
| C9 | C10 | C14 | H8 | 118.8° | 120.0° |
| C9 | C10 | C11 | C12 | 174.5° | 178.6° |
| C9 | C10 | C14 | C13 | 170.1° | 178.6° |
| C10 | C9 | H7 | H6 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10 | 65.3° | 58.6° |
| C9 | C10 | C11 | H9 | 54.1° | 61.4° |
| C9 | C10 | C14 | H15 | 49.5° | 61.5° |
| C9 | C10 | C14 | H16 | 69.1° | 58.6° |
| C11 | C10 | C14 | H8 | 118.4° | 119.9° |
| C10 | C11 | C12 | H10 | 120.3° | 120.0° |
| C10 | C11 | C12 | H9 | 120.3° | 119.9° |
| C10 | C11 | C12 | N4 | 57.9° | 54.7° |
| C11 | C10 | C14 | C13 | 47.4° | 61.3° |
| C11 | C10 | C9 | H7 | 54.5° | 55.0° |
| C11 | C10 | C9 | H6 | 65.6° | 65.0° |
| C10 | C11 | H10 | H9 | 119.1° | 120.0° |
| C10 | C11 | C12 | H12 | 62.2° | 65.2° |
| C10 | C11 | C12 | H11 | 178.1° | 174.4° |
| C11 | C10 | C14 | H15 | 73.3° | 58.6° |
| C11 | C10 | C14 | H16 | 168.1° | 178.7° |
| C14 | C10 | C11 | C12 | 51.3° | 61.3° |
| C10 | C14 | C13 | N4 | 48.9° | 54.7° |
| C10 | C14 | C13 | H15 | 120.7° | 119.9° |
| C10 | C14 | C13 | H16 | 120.7° | 119.9° |
| C14 | C10 | C9 | H7 | 177.5° | 175.1° |
| C14 | C10 | C9 | H6 | 57.5° | 55.1° |
| C14 | C10 | C11 | H10 | 171.6° | 178.7° |
| C14 | C10 | C11 | H9 | 69.0° | 58.6° |
| C10 | C14 | C13 | H14 | 71.4° | 65.2° |
| C10 | C14 | C13 | H13 | 169.2° | 174.4° |
| C10 | C14 | H15 | H16 | 117.9° | 120.0° |
| C11 | C12 | N4 | H12 | 120.1° | 119.9° |
| C11 | C12 | N4 | H11 | 120.1° | 119.7° |
| C11 | C12 | N4 | C13 | 60.1° | 53.7° |
| C11 | C12 | N4 | C15 | 117.5° | 126.4° |
| C12 | C11 | C10 | H8 | 67.1° | 58.6° |
| C12 | C11 | H10 | H9 | 119.1° | 120.2° |
| C11 | C12 | H12 | H11 | 119.6° | 120.3° |
| C12 | N4 | C13 | C15 | 177.9° | 179.9° |
| C12 | N4 | C13 | C14 | 55.2° | 53.7° |
| C12 | N4 | C15 | O2 | 163.8° | 0.1° |
| C12 | N4 | C15 | C16 | 20.9° | 180.0° |
| N4 | C12 | C11 | H10 | 178.2° | 174.6° |
| N4 | C12 | C11 | H9 | 62.4° | 65.2° |
| N4 | C12 | H12 | H11 | 119.6° | 120.3° |
| C12 | N4 | C13 | H14 | 65.1° | 66.2° |
| C12 | N4 | C13 | H13 | 175.4° | 173.4° |
| N4 | C13 | C14 | H14 | 120.3° | 119.8° |
| N4 | C13 | C14 | H13 | 120.3° | 119.7° |
| C13 | N4 | C15 | O2 | 18.7° | 180.0° |
| C13 | N4 | C15 | C16 | 156.6° | 0.1° |
| C13 | N4 | C12 | H12 | 60.0° | 66.2° |
| C13 | N4 | C12 | H11 | 179.7° | 173.4° |
| N4 | C13 | H14 | H13 | 119.1° | 120.3° |
| N4 | C13 | C14 | H15 | 71.7° | 65.2° |
| N4 | C13 | C14 | H16 | 169.6° | 174.6° |
| C15 | N4 | C13 | C14 | 122.7° | 126.4° |
| N4 | C15 | O2 | C16 | 175.8° | 180.0° |
| N4 | C15 | C16 | C17 | 7.3° | 80.0° |
| N4 | C15 | C16 | N5 | 127.6° | 160.0° |
| C15 | N4 | C12 | H12 | 122.3° | 113.7° |
| C15 | N4 | C12 | H11 | 2.6° | 6.7° |
| C15 | N4 | C13 | H14 | 117.0° | 113.8° |
| C15 | N4 | C13 | H13 | 2.4° | 6.7° |
| N4 | C15 | C16 | H17 | 119.8° | 40.0° |
| C13 | C14 | C10 | H8 | 71.1° | 58.6° |
| C14 | C13 | H14 | H13 | 119.1° | 120.3° |
| C13 | C14 | H15 | H16 | 117.9° | 120.2° |
| O2 | C15 | C16 | C17 | 168.4° | 100.0° |
| O2 | C15 | C16 | N5 | 48.0° | 20.0° |
| O2 | C15 | C16 | H17 | 64.6° | 140.0° |
| C15 | C16 | C17 | N5 | 117.1° | 120.0° |
| C15 | C16 | C17 | H17 | 127.0° | 120.0° |
| C15 | C16 | N5 | H17 | 111.9° | 120.0° |
| C15 | C16 | C17 | C18 | 108.4° | 175.0° |
| C15 | C16 | N5 | C20 | 83.7° | 60.0° |
| C15 | C16 | C17 | H19 | 11.7° | 55.0° |
| C15 | C16 | C17 | H18 | 131.5° | 65.0° |
| C15 | C16 | N5 | H21 | 96.3° | 120.0° |
| C17 | C16 | N5 | H17 | 115.4° | 120.0° |
| C16 | C17 | C18 | H19 | 120.1° | 120.0° |
| C16 | C17 | C18 | H18 | 120.1° | 120.0° |
| C16 | C17 | C18 | C19 | 153.1° | 168.5° |
| C17 | C16 | N5 | C20 | 49.0° | 60.0° |
| C16 | C17 | H19 | H18 | 119.7° | 120.0° |
| C17 | C16 | N5 | H21 | 131.0° | 120.0° |
| N5 | C16 | C17 | C18 | 134.6° | 65.0° |
| C16 | N5 | C20 | H21 | 180.0° | 180.0° |
| C16 | N5 | C20 | O3 | 3.4° | 0.0° |
| C16 | N5 | C20 | C21 | 174.6° | 180.0° |
| N5 | C16 | C17 | H19 | 105.3° | 175.0° |
| N5 | C16 | C17 | H18 | 14.5° | 55.0° |
| C18 | C17 | C16 | H17 | 18.6° | 55.0° |
| C18 | C17 | H19 | H18 | 119.7° | 120.0° |
| C17 | C18 | C19 | H20 | 9.1° | 151.9° |
| C19 | C18 | C17 | H19 | 86.9° | 48.5° |
| C19 | C18 | C17 | H18 | 33.0° | 71.6° |
| N5 | C20 | O3 | C21 | 177.7° | 180.0° |
| C20 | N5 | C16 | H17 | 164.4° | 180.0° |
| N5 | C20 | C21 | H23 | 177.9° | 60.0° |
| N5 | C20 | C21 | H22 | 62.1° | 180.0° |
| N5 | C20 | C21 | H26 | 57.9° | 60.0° |
| O3 | C20 | N5 | H21 | 176.7° | 180.0° |
| O3 | C20 | C21 | H23 | 0.0° | 120.0° |
| O3 | C20 | C21 | H22 | 120.0° | 0.0° |
| O3 | C20 | C21 | H26 | 120.0° | 120.0° |
| C21 | C20 | N5 | H21 | 5.4° | 0.0° |
| C20 | C21 | H23 | H22 | 120.0° | 120.0° |
| C20 | C21 | H23 | H26 | 120.0° | 120.0° |
| C20 | C21 | H22 | H26 | 120.0° | 120.0° |
| H3 | C5 | C6 | H4 | 1.2° | 0.0° |
| H4 | C6 | C7 | H5 | 1.9° | 0.0° |
| H7 | C9 | C10 | H8 | 63.9° | 65.0° |
| H6 | C9 | C10 | H8 | 176.1° | 175.0° |
| H8 | C10 | C11 | H10 | 53.2° | 61.4° |
| H8 | C10 | C11 | H9 | 172.6° | 178.6° |
| H8 | C10 | C14 | H15 | 168.3° | 178.6° |
| H8 | C10 | C14 | H16 | 49.6° | 61.4° |
| H10 | C11 | C12 | H12 | 58.1° | 54.7° |
| H10 | C11 | C12 | H11 | 61.6° | 65.6° |
| H9 | C11 | C12 | H12 | 177.5° | 174.9° |
| H9 | C11 | C12 | H11 | 57.8° | 54.5° |
| H14 | C13 | C14 | H15 | 168.0° | 174.9° |
| H14 | C13 | C14 | H16 | 49.3° | 54.8° |
| H13 | C13 | C14 | H15 | 48.6° | 54.5° |
| H13 | C13 | C14 | H16 | 70.1° | 65.7° |
| H17 | C16 | C17 | H19 | 138.7° | 65.0° |
| H17 | C16 | C17 | H18 | 101.5° | 174.9° |
| H17 | C16 | N5 | H21 | 15.6° | 0.0° |
| H23 | C21 | H22 | H26 | 120.0° | 120.0° |
