NVQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C4 | doub | 1.22Å | 1.23Å | |
| C4 | N2 | sing | 1.35Å | 1.37Å | |
| C4 | N1 | sing | 1.35Å | 1.38Å | |
| N2 | C3 | sing | 1.35Å | 1.38Å | |
| C5 | N1 | sing | 1.47Å | 1.48Å | |
| C5 | C13 | sing | 1.51Å | 1.50Å | |
| N1 | C1 | sing | 1.38Å | 1.39Å | |
| C3 | O2 | doub | 1.22Å | 1.24Å | |
| C3 | C2 | sing | 1.41Å | 1.44Å | |
| C18 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.37Å | 1.44Å | |
| C1 | N3 | sing | 1.38Å | 1.42Å | |
| C6 | N4 | sing | 1.46Å | 1.45Å | |
| C19 | N3 | sing | 1.46Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C2 | N4 | sing | 1.41Å | 1.43Å | |
| N5 | C21 | sing | 1.47Å | 1.47Å | |
| N5 | C22 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| N4 | S1 | sing | 1.66Å | 1.67Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | BR1 | sing | 1.89Å | 1.90Å | |
| S1 | O4 | doub | 1.42Å | 1.43Å | |
| S1 | C7 | sing | 1.76Å | 1.76Å | |
| S1 | O3 | doub | 1.42Å | 1.43Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| N5 | H23 | sing | 1.01Å | 1.00Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C4 | N2 | 120.7° | 119.5° |
| O1 | C4 | N1 | 121.7° | 119.5° |
| N2 | C4 | N1 | 117.7° | 121.0° |
| C4 | N2 | C3 | 126.3° | 120.7° |
| C4 | N2 | H1 | 116.9° | 119.6° |
| C4 | N1 | C5 | 116.0° | 119.8° |
| C4 | N1 | C1 | 121.3° | 120.3° |
| N2 | C3 | O2 | 118.9° | 120.3° |
| N2 | C3 | C2 | 115.7° | 119.6° |
| C3 | N2 | H1 | 116.8° | 119.7° |
| N1 | C5 | C13 | 118.7° | 109.4° |
| C5 | N1 | C1 | 121.9° | 119.8° |
| N1 | C5 | H2 | 107.1° | 109.4° |
| N1 | C5 | H3 | 107.1° | 109.5° |
| C5 | C13 | C18 | 118.1° | 120.0° |
| C5 | C13 | C14 | 122.8° | 120.0° |
| C13 | C5 | H2 | 107.1° | 109.5° |
| C13 | C5 | H3 | 107.1° | 109.5° |
| N1 | C1 | C2 | 119.2° | 119.4° |
| N1 | C1 | N3 | 120.4° | 120.3° |
| O2 | C3 | C2 | 125.4° | 120.2° |
| C3 | C2 | C1 | 119.5° | 119.0° |
| C3 | C2 | N4 | 117.6° | 120.5° |
| C13 | C18 | C17 | 121.0° | 120.0° |
| C18 | C13 | C14 | 119.1° | 120.0° |
| C13 | C18 | H16 | 119.5° | 120.0° |
| C18 | C17 | C16 | 118.7° | 120.0° |
| C18 | C17 | H15 | 120.6° | 120.0° |
| C17 | C18 | H16 | 119.5° | 120.0° |
| C13 | C14 | C15 | 120.5° | 120.0° |
| C13 | C14 | H13 | 119.7° | 120.1° |
| C2 | C1 | N3 | 119.8° | 120.3° |
| C1 | C2 | N4 | 122.8° | 120.5° |
| C1 | N3 | C19 | 130.0° | 120.0° |
| C1 | N3 | H4 | 104.1° | 120.0° |
| C6 | N4 | C2 | 119.1° | 120.0° |
| C6 | N4 | S1 | 119.6° | 120.0° |
| N4 | C6 | H5 | 109.5° | 109.5° |
| N4 | C6 | H6 | 109.5° | 109.5° |
| N4 | C6 | H7 | 109.4° | 109.5° |
| N3 | C19 | C20 | 111.3° | 109.5° |
| C19 | N3 | H4 | 104.1° | 120.0° |
| N3 | C19 | H17 | 109.0° | 109.4° |
| N3 | C19 | H18 | 109.0° | 109.5° |
| C19 | C20 | C21 | 114.6° | 109.5° |
| C20 | C19 | H17 | 109.0° | 109.5° |
| C20 | C19 | H18 | 109.0° | 109.5° |
| C19 | C20 | H19 | 108.2° | 109.5° |
| C19 | C20 | H20 | 108.2° | 109.5° |
| C2 | N4 | S1 | 121.2° | 120.0° |
| C21 | N5 | C22 | 113.6° | 111.0° |
| N5 | C21 | C20 | 112.3° | 109.5° |
| N5 | C21 | H21 | 108.8° | 109.5° |
| N5 | C21 | H22 | 108.8° | 109.5° |
| C21 | N5 | H23 | 108.4° | 111.0° |
| C22 | N5 | H23 | 108.4° | 111.0° |
| N5 | C22 | H25 | 109.5° | 109.5° |
| N5 | C22 | H26 | 109.5° | 109.5° |
| N5 | C22 | H27 | 109.5° | 109.5° |
| C17 | C16 | C15 | 121.9° | 119.9° |
| C17 | C16 | BR1 | 118.3° | 120.0° |
| C16 | C17 | H15 | 120.7° | 120.0° |
| C14 | C15 | C16 | 118.8° | 120.0° |
| C15 | C14 | H13 | 119.8° | 119.9° |
| C14 | C15 | H14 | 120.6° | 120.0° |
| N4 | S1 | O4 | 107.7° | 106.4° |
| N4 | S1 | C7 | 106.9° | 107.2° |
| N4 | S1 | O3 | 106.7° | 106.4° |
| C21 | C20 | H19 | 108.2° | 109.4° |
| C21 | C20 | H20 | 108.1° | 109.5° |
| C20 | C21 | H21 | 108.8° | 109.5° |
| C20 | C21 | H22 | 108.8° | 109.5° |
| C15 | C16 | BR1 | 119.8° | 120.0° |
| C16 | C15 | H14 | 120.6° | 120.0° |
| O4 | S1 | C7 | 107.4° | 106.4° |
| O4 | S1 | O3 | 119.9° | 123.2° |
| C7 | S1 | O3 | 107.7° | 106.4° |
| S1 | C7 | C8 | 119.6° | 120.0° |
| S1 | C7 | C12 | 119.6° | 120.0° |
| C8 | C7 | C12 | 120.8° | 120.0° |
| C7 | C8 | C9 | 119.1° | 120.0° |
| C7 | C8 | H8 | 120.4° | 120.0° |
| C7 | C12 | C11 | 119.1° | 120.0° |
| C7 | C12 | H12 | 120.5° | 120.0° |
| C8 | C9 | C10 | 120.5° | 120.0° |
| C9 | C8 | H8 | 120.5° | 120.0° |
| C8 | C9 | H9 | 119.7° | 120.0° |
| C12 | C11 | C10 | 120.5° | 120.0° |
| C12 | C11 | H11 | 119.7° | 120.0° |
| C11 | C12 | H12 | 120.4° | 120.0° |
| C9 | C10 | C11 | 119.9° | 120.0° |
| C10 | C9 | H9 | 119.7° | 120.0° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C11 | C10 | H10 | 120.0° | 120.0° |
| C10 | C11 | H11 | 119.8° | 120.0° |
| H2 | C5 | H3 | 109.4° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.4° |
| H5 | C6 | H7 | 109.5° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.4° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H25 | C22 | H26 | 109.4° | 109.5° |
| H25 | C22 | H27 | 109.5° | 109.4° |
| H26 | C22 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C4 | N2 | N1 | 179.2° | 179.9° |
| O1 | C4 | N2 | C3 | 179.5° | 180.0° |
| O1 | C4 | N1 | C5 | 5.5° | 0.2° |
| O1 | C4 | N1 | C1 | 175.8° | 180.0° |
| O1 | C4 | N2 | H1 | 0.5° | 0.1° |
| C4 | N2 | C3 | H1 | 180.0° | 179.9° |
| N2 | C4 | N1 | C5 | 175.3° | 179.7° |
| N2 | C4 | N1 | C1 | 5.0° | 0.1° |
| C4 | N2 | C3 | O2 | 179.4° | 179.9° |
| C4 | N2 | C3 | C2 | 0.3° | 0.0° |
| N1 | C4 | N2 | C3 | 1.4° | 0.1° |
| C4 | N1 | C5 | C1 | 170.2° | 179.7° |
| C4 | N1 | C5 | C13 | 85.5° | 94.9° |
| C4 | N1 | C1 | C2 | 7.4° | 0.0° |
| C4 | N1 | C1 | N3 | 179.3° | 180.0° |
| N1 | C4 | N2 | H1 | 178.6° | 180.0° |
| C4 | N1 | C5 | H2 | 35.8° | 25.0° |
| C4 | N1 | C5 | H3 | 153.1° | 145.1° |
| N2 | C3 | O2 | C2 | 179.0° | 179.9° |
| N2 | C3 | C2 | C1 | 2.7° | 0.0° |
| N2 | C3 | C2 | N4 | 178.0° | 180.0° |
| N1 | C5 | C13 | H2 | 121.3° | 119.9° |
| N1 | C5 | C13 | H3 | 121.3° | 120.0° |
| N1 | C5 | C13 | C18 | 164.6° | 95.3° |
| N1 | C5 | C13 | C14 | 18.4° | 85.0° |
| C5 | N1 | C1 | C2 | 177.2° | 179.7° |
| C5 | N1 | C1 | N3 | 11.0° | 0.3° |
| N1 | C5 | H2 | H3 | 115.8° | 120.0° |
| C13 | C5 | N1 | C1 | 104.2° | 85.3° |
| C5 | C13 | C18 | C14 | 177.2° | 179.7° |
| C5 | C13 | C18 | C17 | 178.7° | 179.8° |
| C5 | C13 | C14 | C15 | 178.8° | 180.0° |
| C13 | C5 | H2 | H3 | 115.8° | 120.1° |
| C5 | C13 | C14 | H13 | 1.2° | 0.1° |
| C5 | C13 | C18 | H16 | 1.3° | 0.0° |
| N1 | C1 | C2 | C3 | 6.2° | 0.0° |
| N1 | C1 | C2 | N3 | 171.9° | 180.0° |
| N1 | C1 | N3 | C19 | 44.9° | 90.1° |
| N1 | C1 | C2 | N4 | 178.7° | 180.0° |
| C1 | N1 | C5 | H2 | 134.5° | 154.7° |
| C1 | N1 | C5 | H3 | 17.1° | 34.7° |
| N1 | C1 | N3 | H4 | 167.6° | 90.0° |
| O2 | C3 | C2 | C1 | 178.3° | 180.0° |
| O2 | C3 | C2 | N4 | 3.0° | 0.0° |
| O2 | C3 | N2 | H1 | 0.7° | 0.0° |
| C3 | C2 | C1 | N4 | 175.1° | 180.0° |
| C3 | C2 | C1 | N3 | 178.1° | 180.0° |
| C3 | C2 | N4 | C6 | 75.5° | 110.0° |
| C3 | C2 | N4 | S1 | 101.8° | 70.0° |
| C2 | C3 | N2 | H1 | 179.7° | 180.0° |
| C13 | C18 | C17 | H16 | 180.0° | 179.7° |
| C13 | C18 | C17 | C16 | 0.7° | 0.5° |
| C18 | C13 | C14 | C15 | 1.7° | 0.2° |
| C18 | C13 | C5 | H2 | 74.1° | 144.8° |
| C18 | C13 | C5 | H3 | 43.2° | 24.7° |
| C18 | C13 | C14 | H13 | 178.3° | 179.8° |
| C13 | C18 | C17 | H15 | 179.3° | 179.7° |
| C17 | C18 | C13 | C14 | 1.5° | 0.5° |
| C18 | C17 | C16 | H15 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 0.1° | 0.3° |
| C18 | C17 | C16 | BR1 | 180.0° | 179.8° |
| C13 | C14 | C15 | H13 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.1° | 0.0° |
| C14 | C13 | C5 | H2 | 103.0° | 34.9° |
| C14 | C13 | C5 | H3 | 139.7° | 155.0° |
| C13 | C14 | C15 | H14 | 178.9° | 180.0° |
| C14 | C13 | C18 | H16 | 178.5° | 179.8° |
| C1 | C2 | N4 | C6 | 99.7° | 70.0° |
| C2 | C1 | N3 | C19 | 143.3° | 89.9° |
| C1 | C2 | N4 | S1 | 83.0° | 110.0° |
| C2 | C1 | N3 | H4 | 20.6° | 90.0° |
| C1 | N3 | C19 | H4 | 122.7° | 179.9° |
| C1 | N3 | C19 | C20 | 122.9° | 176.0° |
| N3 | C1 | C2 | N4 | 6.8° | 0.0° |
| C1 | N3 | C19 | H17 | 2.7° | 64.0° |
| C1 | N3 | C19 | H18 | 116.8° | 55.9° |
| C6 | N4 | C2 | S1 | 177.3° | 180.0° |
| C6 | N4 | S1 | O4 | 6.3° | 174.1° |
| C6 | N4 | S1 | C7 | 108.8° | 60.5° |
| C6 | N4 | S1 | O3 | 136.2° | 52.9° |
| N4 | C6 | H5 | H6 | 120.0° | 120.0° |
| N4 | C6 | H5 | H7 | 120.0° | 120.0° |
| N4 | C6 | H6 | H7 | 120.0° | 120.1° |
| N3 | C19 | C20 | H17 | 120.3° | 120.0° |
| N3 | C19 | C20 | H18 | 120.3° | 120.1° |
| N3 | C19 | C20 | C21 | 163.3° | 180.0° |
| N3 | C19 | H17 | H18 | 119.2° | 120.0° |
| N3 | C19 | C20 | H19 | 42.5° | 60.0° |
| N3 | C19 | C20 | H20 | 76.0° | 60.0° |
| C19 | C20 | C21 | N5 | 107.7° | 180.0° |
| C19 | C20 | C21 | H19 | 120.8° | 120.0° |
| C19 | C20 | C21 | H20 | 120.8° | 120.0° |
| C20 | C19 | N3 | H4 | 114.4° | 3.9° |
| C20 | C19 | H17 | H18 | 119.2° | 120.0° |
| C19 | C20 | H19 | H20 | 117.7° | 120.0° |
| C19 | C20 | C21 | H21 | 131.9° | 60.0° |
| C19 | C20 | C21 | H22 | 12.7° | 60.0° |
| C2 | N4 | S1 | O4 | 176.4° | 5.9° |
| C2 | N4 | S1 | C7 | 68.5° | 119.5° |
| C2 | N4 | S1 | O3 | 46.5° | 127.1° |
| C2 | N4 | C6 | H5 | 180.0° | 84.3° |
| C2 | N4 | C6 | H6 | 60.0° | 155.7° |
| C2 | N4 | C6 | H7 | 60.0° | 35.6° |
| C21 | N5 | C22 | H23 | 120.6° | 124.0° |
| N5 | C21 | C20 | H21 | 120.4° | 120.0° |
| N5 | C21 | C20 | H22 | 120.4° | 120.0° |
| N5 | C21 | C20 | H19 | 131.6° | 60.0° |
| N5 | C21 | C20 | H20 | 13.1° | 60.0° |
| N5 | C21 | H21 | H22 | 118.7° | 120.0° |
| C21 | N5 | C22 | H25 | 180.0° | 180.0° |
| C21 | N5 | C22 | H26 | 60.0° | 60.0° |
| C21 | N5 | C22 | H27 | 60.0° | 60.0° |
| C22 | N5 | C21 | C20 | 84.7° | 180.0° |
| C22 | N5 | C21 | H21 | 35.8° | 60.0° |
| C22 | N5 | C21 | H22 | 154.9° | 60.0° |
| N5 | C22 | H25 | H26 | 120.0° | 120.1° |
| N5 | C22 | H25 | H27 | 120.0° | 120.0° |
| N5 | C22 | H26 | H27 | 120.0° | 120.0° |
| C17 | C16 | C15 | C14 | 0.3° | 0.0° |
| C17 | C16 | C15 | BR1 | 179.9° | 180.0° |
| C17 | C16 | C15 | H14 | 179.7° | 180.0° |
| C16 | C17 | C18 | H16 | 179.3° | 179.8° |
| C14 | C15 | C16 | H14 | 180.0° | 180.0° |
| C14 | C15 | C16 | BR1 | 179.8° | 180.0° |
| N4 | S1 | O4 | C7 | 114.8° | 114.1° |
| N4 | S1 | O4 | O3 | 122.1° | 123.0° |
| N4 | S1 | C7 | O3 | 114.3° | 113.5° |
| N4 | S1 | C7 | C8 | 83.7° | 90.0° |
| N4 | S1 | C7 | C12 | 96.7° | 90.3° |
| S1 | N4 | C6 | H5 | 2.7° | 95.7° |
| S1 | N4 | C6 | H6 | 122.6° | 24.3° |
| S1 | N4 | C6 | H7 | 117.4° | 144.4° |
| C21 | C20 | C19 | H17 | 76.4° | 60.0° |
| C21 | C20 | C19 | H18 | 43.0° | 59.9° |
| C21 | C20 | H19 | H20 | 117.6° | 120.0° |
| C20 | C21 | H21 | H22 | 118.7° | 120.0° |
| C20 | C21 | N5 | H23 | 36.0° | 56.0° |
| C16 | C15 | C14 | H13 | 178.9° | 179.9° |
| C15 | C16 | C17 | H15 | 179.9° | 179.9° |
| BR1 | C16 | C15 | H14 | 0.2° | 0.0° |
| BR1 | C16 | C17 | H15 | 0.0° | 0.0° |
| O4 | S1 | C7 | O3 | 130.3° | 132.9° |
| O4 | S1 | C7 | C8 | 160.9° | 156.5° |
| O4 | S1 | C7 | C12 | 18.7° | 23.3° |
| S1 | C7 | C8 | C12 | 179.6° | 179.7° |
| S1 | C7 | C8 | C9 | 179.4° | 180.0° |
| S1 | C7 | C12 | C11 | 179.8° | 179.8° |
| S1 | C7 | C8 | H8 | 0.5° | 0.0° |
| S1 | C7 | C12 | H12 | 0.2° | 0.0° |
| O3 | S1 | C7 | C8 | 30.6° | 23.5° |
| O3 | S1 | C7 | C12 | 149.0° | 156.2° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C8 | C7 | C12 | C11 | 0.2° | 0.5° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C8 | C7 | C12 | H12 | 179.8° | 179.7° |
| C12 | C7 | C8 | C9 | 0.2° | 0.2° |
| C7 | C12 | C11 | H12 | 180.0° | 179.8° |
| C7 | C12 | C11 | C10 | 0.4° | 0.5° |
| C12 | C7 | C8 | H8 | 179.9° | 179.7° |
| C7 | C12 | C11 | H11 | 179.6° | 179.7° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C8 | C9 | C10 | H10 | 179.9° | 179.9° |
| C12 | C11 | C10 | C9 | 0.2° | 0.3° |
| C12 | C11 | C10 | H11 | 180.0° | 179.7° |
| C12 | C11 | C10 | H10 | 179.8° | 179.8° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C10 | C9 | C8 | H8 | 179.7° | 180.0° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| C10 | C11 | C12 | H12 | 179.6° | 179.7° |
| H4 | N3 | C19 | H17 | 125.3° | 116.1° |
| H4 | N3 | C19 | H18 | 5.8° | 124.0° |
| H5 | C6 | H6 | H7 | 120.0° | 119.9° |
| H8 | C8 | C9 | H9 | 0.3° | 0.0° |
| H9 | C9 | C10 | H10 | 0.1° | 0.0° |
| H10 | C10 | C11 | H11 | 0.2° | 0.1° |
| H11 | C11 | C12 | H12 | 0.4° | 0.0° |
| H13 | C14 | C15 | H14 | 1.1° | 0.0° |
| H15 | C17 | C18 | H16 | 0.7° | 0.0° |
| H17 | C19 | C20 | H19 | 162.8° | 180.0° |
| H17 | C19 | C20 | H20 | 44.3° | 60.0° |
| H18 | C19 | C20 | H19 | 77.7° | 60.0° |
| H18 | C19 | C20 | H20 | 163.8° | 180.0° |
| H19 | C20 | C21 | H21 | 11.1° | 180.0° |
| H19 | C20 | C21 | H22 | 108.0° | 60.0° |
| H20 | C20 | C21 | H21 | 107.4° | 60.0° |
| H20 | C20 | C21 | H22 | 133.5° | 180.0° |
| H21 | C21 | N5 | H23 | 156.4° | 176.0° |
| H22 | C21 | N5 | H23 | 84.5° | 64.0° |
| H23 | N5 | C22 | H25 | 59.4° | 56.0° |
| H23 | N5 | C22 | H26 | 179.4° | 176.1° |
| H23 | N5 | C22 | H27 | 60.6° | 64.0° |
| H25 | C22 | H26 | H27 | 120.0° | 119.9° |
