OIH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | C12 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C12 | C21 | sing | 1.53Å | 1.53Å | |
| C12 | N1 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.57Å | |
| C14 | C16 | sing | 1.53Å | 1.55Å | |
| C13 | N1 | sing | 1.47Å | 1.51Å | |
| N1 | C3 | sing | 1.40Å | 1.53Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| F1 | C24 | sing | 1.35Å | 1.36Å | |
| N3 | C4 | sing | 1.40Å | 1.45Å | |
| N3 | C22 | sing | 1.35Å | 1.49Å | |
| N4 | C22 | sing | 1.35Å | 1.47Å | |
| N4 | C23 | sing | 1.40Å | 1.48Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | O3 | doub | 1.22Å | 1.19Å | |
| C23 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | CL1 | sing | 1.74Å | 1.55Å | |
| C6 | N2 | sing | 1.40Å | 1.48Å | |
| N2 | C7 | sing | 1.36Å | 1.32Å | Aromatic |
| N2 | C10 | sing | 1.38Å | 1.33Å | Aromatic |
| O1 | C11 | doub | 1.22Å | 1.27Å | |
| C7 | C8 | doub | 1.36Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.46Å | 1.55Å | |
| C11 | O2 | sing | 1.35Å | 1.27Å | |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C5 | H15 | sing | 1.08Å | 1.08Å | |
| C7 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| N3 | H30 | sing | 0.97Å | 1.00Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| O2 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 112.7° | 109.5° |
| C18 | C17 | C12 | 118.2° | 109.4° |
| C18 | C17 | H6 | 107.3° | 109.5° |
| C18 | C17 | H7 | 107.2° | 109.5° |
| C17 | C18 | H24 | 108.7° | 109.4° |
| C17 | C18 | H25 | 108.7° | 109.5° |
| C18 | C19 | C20 | 107.7° | 109.5° |
| C19 | C18 | H24 | 108.7° | 109.5° |
| C19 | C18 | H25 | 108.7° | 109.5° |
| C18 | C19 | H26 | 109.9° | 109.5° |
| C18 | C19 | H27 | 109.9° | 109.5° |
| C17 | C12 | C21 | 116.5° | 109.5° |
| C17 | C12 | N1 | 104.3° | 109.5° |
| C12 | C17 | H6 | 107.2° | 109.5° |
| C12 | C17 | H7 | 107.3° | 109.5° |
| C17 | C12 | H19 | 108.7° | 109.5° |
| C15 | C14 | C13 | 110.3° | 109.5° |
| C15 | C14 | C16 | 110.5° | 109.5° |
| C14 | C15 | H3 | 109.5° | 109.5° |
| C14 | C15 | H4 | 109.5° | 109.5° |
| C14 | C15 | H5 | 109.5° | 109.5° |
| C15 | C14 | H20 | 108.8° | 109.5° |
| C19 | C20 | C21 | 111.1° | 109.5° |
| C19 | C20 | H8 | 109.1° | 109.5° |
| C19 | C20 | H9 | 109.1° | 109.5° |
| C20 | C19 | H26 | 109.9° | 109.5° |
| C20 | C19 | H27 | 109.9° | 109.5° |
| C21 | C12 | N1 | 109.0° | 109.5° |
| C12 | C21 | C20 | 114.9° | 109.5° |
| C12 | C21 | H10 | 108.1° | 109.4° |
| C12 | C21 | H11 | 108.1° | 109.5° |
| C21 | C12 | H19 | 108.8° | 109.5° |
| C12 | N1 | C13 | 118.9° | 111.0° |
| C12 | N1 | C3 | 120.2° | 111.0° |
| N1 | C12 | H19 | 109.4° | 109.4° |
| C21 | C20 | H8 | 109.0° | 109.4° |
| C21 | C20 | H9 | 109.1° | 109.5° |
| C20 | C21 | H10 | 108.1° | 109.5° |
| C20 | C21 | H11 | 108.1° | 109.5° |
| C13 | C14 | C16 | 110.0° | 109.5° |
| C14 | C13 | N1 | 113.2° | 109.5° |
| C14 | C13 | H1 | 108.6° | 109.5° |
| C14 | C13 | H2 | 108.5° | 109.5° |
| C13 | C14 | H20 | 108.5° | 109.5° |
| C16 | C14 | H20 | 108.7° | 109.4° |
| C14 | C16 | H21 | 109.5° | 109.5° |
| C14 | C16 | H22 | 109.5° | 109.5° |
| C14 | C16 | H23 | 109.5° | 109.5° |
| C13 | N1 | C3 | 120.7° | 111.0° |
| N1 | C13 | H1 | 108.5° | 109.4° |
| N1 | C13 | H2 | 108.5° | 109.5° |
| N1 | C3 | C2 | 119.3° | 120.0° |
| N1 | C3 | C4 | 121.0° | 120.0° |
| C2 | C3 | C4 | 119.7° | 119.9° |
| C3 | C2 | C1 | 120.2° | 120.1° |
| C3 | C2 | H14 | 119.9° | 120.0° |
| C3 | C4 | N3 | 119.3° | 120.1° |
| C3 | C4 | C5 | 119.8° | 119.9° |
| F1 | C24 | C23 | 119.2° | 120.0° |
| F1 | C24 | C25 | 121.1° | 120.0° |
| C4 | N3 | C22 | 125.0° | 120.0° |
| N3 | C4 | C5 | 121.0° | 120.0° |
| C4 | N3 | H30 | 117.5° | 120.0° |
| N3 | C22 | N4 | 117.0° | 120.0° |
| N3 | C22 | O3 | 123.6° | 120.0° |
| C22 | N3 | H30 | 117.5° | 120.0° |
| C22 | N4 | C23 | 120.1° | 120.0° |
| N4 | C22 | O3 | 119.4° | 120.0° |
| C22 | N4 | H31 | 119.9° | 120.0° |
| N4 | C23 | C24 | 119.9° | 120.1° |
| N4 | C23 | C28 | 119.8° | 120.0° |
| C23 | N4 | H31 | 120.0° | 120.0° |
| C2 | C1 | C6 | 119.6° | 120.1° |
| C2 | C1 | H13 | 120.2° | 120.0° |
| C1 | C2 | H14 | 119.9° | 119.9° |
| C4 | C5 | C6 | 120.3° | 119.9° |
| C4 | C5 | H15 | 119.9° | 120.0° |
| C23 | C24 | C25 | 119.7° | 119.9° |
| C24 | C23 | C28 | 120.4° | 119.9° |
| C24 | C25 | C26 | 120.1° | 120.0° |
| C24 | C25 | H28 | 119.9° | 120.0° |
| C23 | C28 | C27 | 119.8° | 120.0° |
| C23 | C28 | H12 | 120.1° | 120.1° |
| C25 | C26 | C27 | 119.7° | 120.1° |
| C25 | C26 | CL1 | 120.5° | 120.0° |
| C26 | C25 | H28 | 119.9° | 119.9° |
| C1 | C6 | C5 | 120.4° | 120.1° |
| C1 | C6 | N2 | 120.6° | 119.9° |
| C6 | C1 | H13 | 120.2° | 119.9° |
| C28 | C27 | C26 | 120.3° | 120.1° |
| C27 | C28 | H12 | 120.1° | 119.9° |
| C28 | C27 | H29 | 119.9° | 120.0° |
| C5 | C6 | N2 | 119.0° | 120.0° |
| C6 | C5 | H15 | 119.9° | 120.0° |
| C27 | C26 | CL1 | 119.8° | 119.9° |
| C26 | C27 | H29 | 119.9° | 120.0° |
| C6 | N2 | C7 | 122.1° | 125.7° |
| C6 | N2 | C10 | 126.9° | 125.7° |
| C7 | N2 | C10 | 111.0° | 108.6° |
| N2 | C7 | C8 | 108.4° | 108.8° |
| N2 | C7 | H16 | 125.8° | 125.6° |
| N2 | C10 | C11 | 129.0° | 126.2° |
| N2 | C10 | C9 | 107.4° | 107.5° |
| O1 | C11 | C10 | 121.1° | 120.0° |
| O1 | C11 | O2 | 119.6° | 120.0° |
| C7 | C8 | C9 | 106.3° | 108.0° |
| C8 | C7 | H16 | 125.8° | 125.6° |
| C7 | C8 | H17 | 126.9° | 126.0° |
| C10 | C11 | O2 | 119.3° | 120.0° |
| C11 | C10 | C9 | 123.6° | 126.3° |
| C11 | O2 | H32 | 109.5° | 117.0° |
| C10 | C9 | C8 | 107.0° | 107.1° |
| C10 | C9 | H18 | 126.5° | 126.5° |
| C9 | C8 | H17 | 126.9° | 126.0° |
| C8 | C9 | H18 | 126.5° | 126.4° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.4° |
| H3 | C15 | H5 | 109.4° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C17 | H7 | 109.4° | 109.4° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.4° |
| H21 | C16 | H23 | 109.5° | 109.4° |
| H22 | C16 | H23 | 109.4° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.4° |
| H26 | C19 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H24 | 120.5° | 119.9° |
| C17 | C18 | C19 | H25 | 120.5° | 120.1° |
| C18 | C17 | C12 | H6 | 121.3° | 120.0° |
| C18 | C17 | C12 | H7 | 121.3° | 120.0° |
| C17 | C18 | C19 | C20 | 58.5° | 60.0° |
| C18 | C17 | C12 | C21 | 20.1° | 60.0° |
| C18 | C17 | C12 | N1 | 140.2° | 180.0° |
| C18 | C17 | H6 | H7 | 116.0° | 120.1° |
| C18 | C17 | C12 | H19 | 103.2° | 60.0° |
| C17 | C18 | H24 | H25 | 118.6° | 120.0° |
| C17 | C18 | C19 | H26 | 61.2° | 180.0° |
| C17 | C18 | C19 | H27 | 178.2° | 60.0° |
| C19 | C18 | C17 | C12 | 36.6° | 60.0° |
| C18 | C19 | C20 | H26 | 119.7° | 120.0° |
| C18 | C19 | C20 | H27 | 119.7° | 120.0° |
| C18 | C19 | C20 | C21 | 66.1° | 60.0° |
| C19 | C18 | C17 | H6 | 157.8° | 60.0° |
| C19 | C18 | C17 | H7 | 84.7° | 180.0° |
| C18 | C19 | C20 | H8 | 173.7° | 59.9° |
| C18 | C19 | C20 | H9 | 54.1° | 180.0° |
| C19 | C18 | H24 | H25 | 118.5° | 120.1° |
| C18 | C19 | H26 | H27 | 120.8° | 120.0° |
| C17 | C12 | C21 | N1 | 117.6° | 120.0° |
| C17 | C12 | C21 | H19 | 123.2° | 120.0° |
| C17 | C12 | N1 | H19 | 116.2° | 120.0° |
| C17 | C12 | C21 | C20 | 26.7° | 60.0° |
| C17 | C12 | N1 | C13 | 53.0° | 55.5° |
| C17 | C12 | N1 | C3 | 124.1° | 68.4° |
| C12 | C17 | H6 | H7 | 116.0° | 120.0° |
| C17 | C12 | C21 | H10 | 147.5° | 60.0° |
| C17 | C12 | C21 | H11 | 94.1° | 180.0° |
| C12 | C17 | C18 | H24 | 157.0° | 180.0° |
| C12 | C17 | C18 | H25 | 83.9° | 60.1° |
| C15 | C14 | C13 | C16 | 122.1° | 120.0° |
| C15 | C14 | C13 | H20 | 119.1° | 120.0° |
| C15 | C14 | C16 | H20 | 119.4° | 120.0° |
| C15 | C14 | C13 | N1 | 86.0° | 176.7° |
| C15 | C14 | C13 | H1 | 153.4° | 63.3° |
| C15 | C14 | C13 | H2 | 34.5° | 56.7° |
| C14 | C15 | H3 | H4 | 120.0° | 120.1° |
| C14 | C15 | H3 | H5 | 120.0° | 120.0° |
| C14 | C15 | H4 | H5 | 120.0° | 120.0° |
| C15 | C14 | C16 | H21 | 180.0° | 60.0° |
| C15 | C14 | C16 | H22 | 60.0° | 180.0° |
| C15 | C14 | C16 | H23 | 60.0° | 59.9° |
| C19 | C20 | C21 | C12 | 50.5° | 59.9° |
| C19 | C20 | C21 | H8 | 120.2° | 120.0° |
| C19 | C20 | C21 | H9 | 120.2° | 120.0° |
| C19 | C20 | H8 | H9 | 119.3° | 120.0° |
| C19 | C20 | C21 | H10 | 171.3° | 60.0° |
| C19 | C20 | C21 | H11 | 70.3° | 180.0° |
| C20 | C19 | C18 | H24 | 179.0° | 180.0° |
| C20 | C19 | C18 | H25 | 62.0° | 60.0° |
| C20 | C19 | H26 | H27 | 120.8° | 120.0° |
| C21 | C12 | N1 | H19 | 118.8° | 120.0° |
| C12 | C21 | C20 | H10 | 120.8° | 120.0° |
| C12 | C21 | C20 | H11 | 120.8° | 120.0° |
| C21 | C12 | N1 | C13 | 178.0° | 175.6° |
| C21 | C12 | N1 | C3 | 1.0° | 51.6° |
| C21 | C12 | C17 | H6 | 141.3° | 60.0° |
| C21 | C12 | C17 | H7 | 101.2° | 180.0° |
| C12 | C21 | C20 | H8 | 170.7° | 60.0° |
| C12 | C21 | C20 | H9 | 69.7° | 180.0° |
| C12 | C21 | H10 | H11 | 117.5° | 120.0° |
| N1 | C12 | C21 | C20 | 144.3° | 180.0° |
| C12 | N1 | C13 | C14 | 88.8° | 72.4° |
| C12 | N1 | C13 | C3 | 177.0° | 124.0° |
| C12 | N1 | C3 | C2 | 93.0° | 69.8° |
| C12 | N1 | C3 | C4 | 87.2° | 110.1° |
| C12 | N1 | C13 | H1 | 150.7° | 167.6° |
| C12 | N1 | C13 | H2 | 31.8° | 47.6° |
| N1 | C12 | C17 | H6 | 98.5° | 60.0° |
| N1 | C12 | C17 | H7 | 18.9° | 60.0° |
| N1 | C12 | C21 | H10 | 94.9° | 60.0° |
| N1 | C12 | C21 | H11 | 23.5° | 60.0° |
| C21 | C20 | H8 | H9 | 119.3° | 120.0° |
| C20 | C21 | H10 | H11 | 117.5° | 120.0° |
| C20 | C21 | C12 | H19 | 96.5° | 60.1° |
| C21 | C20 | C19 | H26 | 53.6° | 180.0° |
| C21 | C20 | C19 | H27 | 174.1° | 60.0° |
| C13 | C14 | C16 | H20 | 118.6° | 120.0° |
| C14 | C13 | N1 | H1 | 120.6° | 120.0° |
| C14 | C13 | N1 | H2 | 120.6° | 120.0° |
| C14 | C13 | N1 | C3 | 94.2° | 163.6° |
| C14 | C13 | H1 | H2 | 118.3° | 120.0° |
| C13 | C14 | C15 | H3 | 180.0° | 60.0° |
| C13 | C14 | C15 | H4 | 60.0° | 180.0° |
| C13 | C14 | C15 | H5 | 60.0° | 59.9° |
| C13 | C14 | C16 | H21 | 58.0° | 60.0° |
| C13 | C14 | C16 | H22 | 178.0° | 60.0° |
| C13 | C14 | C16 | H23 | 62.0° | 180.0° |
| C16 | C14 | C13 | N1 | 151.9° | 63.2° |
| C16 | C14 | C13 | H1 | 31.3° | 56.7° |
| C16 | C14 | C13 | H2 | 87.6° | 176.8° |
| C16 | C14 | C15 | H3 | 58.2° | 60.0° |
| C16 | C14 | C15 | H4 | 178.2° | 60.0° |
| C16 | C14 | C15 | H5 | 61.8° | 180.0° |
| C14 | C16 | H21 | H22 | 120.0° | 120.0° |
| C14 | C16 | H21 | H23 | 120.0° | 120.0° |
| C14 | C16 | H22 | H23 | 120.0° | 120.1° |
| C13 | N1 | C3 | C2 | 84.0° | 54.2° |
| C13 | N1 | C3 | C4 | 95.9° | 125.9° |
| N1 | C13 | H1 | H2 | 118.3° | 120.0° |
| C13 | N1 | C12 | H19 | 63.2° | 64.4° |
| N1 | C13 | C14 | H20 | 33.1° | 56.7° |
| N1 | C3 | C2 | C4 | 179.9° | 179.9° |
| N1 | C3 | C4 | N3 | 0.8° | 0.1° |
| N1 | C3 | C2 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 179.6° | 180.0° |
| C3 | N1 | C13 | H1 | 26.4° | 43.6° |
| C3 | N1 | C13 | H2 | 145.2° | 76.4° |
| N1 | C3 | C2 | H14 | 0.0° | 0.1° |
| C3 | N1 | C12 | H19 | 119.8° | 171.6° |
| C2 | C3 | C4 | N3 | 179.3° | 180.0° |
| C3 | C2 | C1 | H14 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.1° |
| C3 | C2 | C1 | C6 | 0.4° | 0.0° |
| C3 | C2 | C1 | H13 | 179.6° | 179.7° |
| C3 | C4 | N3 | C5 | 178.8° | 179.9° |
| C3 | C4 | N3 | C22 | 178.9° | 153.1° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C3 | C4 | C5 | C6 | 1.1° | 0.1° |
| C4 | C3 | C2 | H14 | 179.9° | 180.0° |
| C3 | C4 | C5 | H15 | 178.9° | 180.0° |
| C3 | C4 | N3 | H30 | 1.1° | 26.9° |
| F1 | C24 | C23 | N4 | 0.3° | 0.3° |
| F1 | C24 | C23 | C25 | 180.0° | 179.7° |
| F1 | C24 | C23 | C28 | 179.9° | 179.7° |
| F1 | C24 | C25 | C26 | 180.0° | 179.7° |
| F1 | C24 | C25 | H28 | 0.0° | 0.3° |
| C4 | N3 | C22 | H30 | 180.0° | 179.9° |
| C4 | N3 | C22 | N4 | 179.5° | 175.4° |
| C4 | N3 | C22 | O3 | 0.8° | 4.6° |
| N3 | C4 | C5 | C6 | 179.8° | 180.0° |
| N3 | C4 | C5 | H15 | 0.1° | 0.1° |
| N3 | C22 | N4 | O3 | 179.7° | 180.0° |
| N3 | C22 | N4 | C23 | 179.6° | 175.1° |
| C22 | N3 | C4 | C5 | 2.3° | 26.8° |
| N3 | C22 | N4 | H31 | 0.4° | 4.8° |
| C22 | N4 | C23 | H31 | 180.0° | 179.9° |
| C22 | N4 | C23 | C24 | 114.1° | 146.6° |
| C22 | N4 | C23 | C28 | 66.1° | 33.4° |
| N4 | C22 | N3 | H30 | 0.5° | 4.7° |
| N4 | C23 | C24 | C28 | 179.8° | 180.0° |
| N4 | C23 | C24 | C25 | 179.7° | 180.0° |
| C23 | N4 | C22 | O3 | 0.1° | 4.9° |
| N4 | C23 | C28 | C27 | 179.7° | 180.0° |
| N4 | C23 | C28 | H12 | 0.3° | 0.0° |
| C2 | C1 | C6 | H13 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.9° | 0.0° |
| C2 | C1 | C6 | N2 | 179.6° | 179.7° |
| C4 | C5 | C6 | C1 | 1.3° | 0.0° |
| C4 | C5 | C6 | H15 | 180.0° | 179.9° |
| C4 | C5 | C6 | N2 | 179.9° | 179.7° |
| C5 | C4 | N3 | H30 | 177.7° | 153.1° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C24 | C23 | C28 | C27 | 0.1° | 0.0° |
| C24 | C23 | C28 | H12 | 179.9° | 180.0° |
| C23 | C24 | C25 | H28 | 180.0° | 180.0° |
| C24 | C23 | N4 | H31 | 65.9° | 33.3° |
| C25 | C24 | C23 | C28 | 0.1° | 0.0° |
| C24 | C25 | C26 | H28 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C24 | C25 | C26 | CL1 | 179.9° | 180.0° |
| O3 | C22 | N3 | H30 | 179.2° | 175.3° |
| O3 | C22 | N4 | H31 | 179.9° | 175.2° |
| C23 | C28 | C27 | H12 | 180.0° | 180.0° |
| C23 | C28 | C27 | C26 | 0.0° | 0.0° |
| C23 | C28 | C27 | H29 | 180.0° | 180.0° |
| C28 | C23 | N4 | H31 | 113.9° | 146.7° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C25 | C26 | C27 | CL1 | 179.9° | 180.0° |
| C25 | C26 | C27 | H29 | 180.0° | 180.0° |
| C1 | C6 | C5 | N2 | 178.6° | 179.7° |
| C1 | C6 | N2 | C7 | 65.1° | 130.0° |
| C1 | C6 | N2 | C10 | 115.3° | 50.0° |
| C6 | C1 | C2 | H14 | 179.7° | 180.0° |
| C1 | C6 | C5 | H15 | 178.7° | 180.0° |
| C28 | C27 | C26 | H29 | 180.0° | 180.0° |
| C28 | C27 | C26 | CL1 | 179.9° | 180.0° |
| C5 | C6 | N2 | C7 | 113.5° | 50.3° |
| C5 | C6 | N2 | C10 | 66.0° | 129.7° |
| C5 | C6 | C1 | H13 | 179.0° | 179.7° |
| C26 | C27 | C28 | H12 | 180.0° | 180.0° |
| C27 | C26 | C25 | H28 | 180.0° | 180.0° |
| CL1 | C26 | C25 | H28 | 0.0° | 0.0° |
| CL1 | C26 | C27 | H29 | 0.1° | 0.0° |
| C6 | N2 | C7 | C10 | 179.6° | 180.0° |
| C6 | N2 | C7 | C8 | 179.8° | 179.8° |
| C6 | N2 | C10 | C11 | 0.4° | 0.2° |
| C6 | N2 | C10 | C9 | 179.8° | 180.0° |
| N2 | C6 | C1 | H13 | 0.4° | 0.0° |
| N2 | C6 | C5 | H15 | 0.0° | 0.3° |
| C6 | N2 | C7 | H16 | 0.2° | 0.2° |
| N2 | C7 | C8 | H16 | 180.0° | 179.5° |
| C7 | N2 | C10 | C11 | 179.9° | 179.7° |
| C7 | N2 | C10 | C9 | 0.2° | 0.0° |
| N2 | C7 | C8 | C9 | 0.1° | 0.4° |
| N2 | C7 | C8 | H17 | 179.9° | 179.6° |
| N2 | C10 | C11 | O1 | 43.5° | 179.7° |
| C10 | N2 | C7 | C8 | 0.2° | 0.3° |
| N2 | C10 | C11 | C9 | 179.8° | 179.7° |
| N2 | C10 | C11 | O2 | 137.2° | 0.3° |
| N2 | C10 | C9 | C8 | 0.1° | 0.2° |
| C10 | N2 | C7 | H16 | 179.8° | 179.8° |
| N2 | C10 | C9 | H18 | 179.8° | 179.7° |
| O1 | C11 | C10 | O2 | 179.3° | 180.0° |
| O1 | C11 | C10 | C9 | 136.3° | 0.0° |
| O1 | C11 | O2 | H32 | 0.0° | 0.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.4° |
| C7 | C8 | C9 | H17 | 180.0° | 180.0° |
| C7 | C8 | C9 | H18 | 180.0° | 179.5° |
| C11 | C10 | C9 | C8 | 180.0° | 180.0° |
| C11 | C10 | C9 | H18 | 0.0° | 0.1° |
| C10 | C11 | O2 | H32 | 179.3° | 180.0° |
| O2 | C11 | C10 | C9 | 43.0° | 180.0° |
| C10 | C9 | C8 | H18 | 180.0° | 179.9° |
| C10 | C9 | C8 | H17 | 180.0° | 179.6° |
| C9 | C8 | C7 | H16 | 179.9° | 180.0° |
| H1 | C13 | C14 | H20 | 87.5° | 176.7° |
| H2 | C13 | C14 | H20 | 153.6° | 63.3° |
| H3 | C15 | H4 | H5 | 120.0° | 119.9° |
| H3 | C15 | C14 | H20 | 61.1° | 180.0° |
| H4 | C15 | C14 | H20 | 58.9° | 60.0° |
| H5 | C15 | C14 | H20 | 178.9° | 60.1° |
| H6 | C17 | C12 | H19 | 18.1° | 179.9° |
| H6 | C17 | C18 | H24 | 81.7° | 60.0° |
| H6 | C17 | C18 | H25 | 37.3° | 179.9° |
| H7 | C17 | C12 | H19 | 135.6° | 60.0° |
| H7 | C17 | C18 | H24 | 35.8° | 60.0° |
| H7 | C17 | C18 | H25 | 154.8° | 59.9° |
| H8 | C20 | C21 | H10 | 68.5° | 180.0° |
| H8 | C20 | C21 | H11 | 50.0° | 60.0° |
| H8 | C20 | C19 | H26 | 66.6° | 60.0° |
| H8 | C20 | C19 | H27 | 53.9° | 179.9° |
| H9 | C20 | C21 | H10 | 51.1° | 60.0° |
| H9 | C20 | C21 | H11 | 169.5° | 60.0° |
| H9 | C20 | C19 | H26 | 173.8° | 60.0° |
| H9 | C20 | C19 | H27 | 65.6° | 60.0° |
| H10 | C21 | C12 | H19 | 24.3° | 180.0° |
| H11 | C21 | C12 | H19 | 142.7° | 60.0° |
| H12 | C28 | C27 | H29 | 0.0° | 0.0° |
| H13 | C1 | C2 | H14 | 0.3° | 0.3° |
| H16 | C7 | C8 | H17 | 0.1° | 0.0° |
| H17 | C8 | C9 | H18 | 0.0° | 0.5° |
| H20 | C14 | C16 | H21 | 60.6° | 180.0° |
| H20 | C14 | C16 | H22 | 59.4° | 60.0° |
| H20 | C14 | C16 | H23 | 179.4° | 60.1° |
| H21 | C16 | H22 | H23 | 120.0° | 119.9° |
| H24 | C18 | C19 | H26 | 59.2° | 60.0° |
| H24 | C18 | C19 | H27 | 61.3° | 60.0° |
| H25 | C18 | C19 | H26 | 178.3° | 59.9° |
| H25 | C18 | C19 | H27 | 57.7° | 180.0° |
