DKJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C5 | sing | 1.35Å | 1.36Å | |
| C3 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| F2 | C6 | sing | 1.35Å | 1.36Å | |
| C6 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C20 | sing | 1.53Å | 1.54Å | |
| O1 | C7 | doub | 1.21Å | 1.23Å | |
| C20 | N2 | sing | 1.46Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.57Å | |
| C7 | C12 | sing | 1.51Å | 1.50Å | |
| C7 | N2 | sing | 1.35Å | 1.34Å | |
| C16 | C21 | sing | 1.53Å | 1.52Å | |
| O3 | C19 | sing | 1.43Å | 1.42Å | |
| C14 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | C9 | sing | 1.53Å | 1.57Å | |
| C21 | C15 | sing | 1.53Å | 1.53Å | |
| C21 | C18 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | O2 | sing | 1.43Å | 1.43Å | |
| C9 | N1 | sing | 1.47Å | 1.47Å | |
| C18 | O4 | sing | 1.43Å | 1.43Å | |
| O2 | C11 | sing | 1.43Å | 1.41Å | |
| O4 | C11 | sing | 1.43Å | 1.41Å | |
| N1 | C10 | sing | 1.47Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C13 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H33 | sing | 1.01Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| N2 | H31 | sing | 0.97Å | 1.00Å | |
| O3 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C5 | C3 | 118.0° | 120.0° |
| F1 | C5 | C1 | 118.3° | 120.0° |
| C5 | C3 | C6 | 115.9° | 120.0° |
| C3 | C5 | C1 | 123.6° | 120.0° |
| C5 | C3 | H3 | 122.1° | 120.0° |
| C3 | C6 | F2 | 117.9° | 120.0° |
| C3 | C6 | C2 | 123.7° | 120.0° |
| C6 | C3 | H3 | 122.1° | 120.0° |
| C5 | C1 | C4 | 118.9° | 120.0° |
| C5 | C1 | H1 | 120.5° | 120.0° |
| F2 | C6 | C2 | 118.4° | 120.0° |
| C6 | C2 | C4 | 118.7° | 120.0° |
| C6 | C2 | H2 | 120.7° | 120.0° |
| C1 | C4 | C2 | 119.1° | 120.1° |
| C1 | C4 | C17 | 120.1° | 120.0° |
| C4 | C1 | H1 | 120.5° | 120.0° |
| C2 | C4 | C17 | 120.7° | 120.0° |
| C4 | C2 | H2 | 120.6° | 120.0° |
| C4 | C17 | C20 | 114.1° | 109.5° |
| C4 | C17 | H25 | 108.3° | 109.5° |
| C4 | C17 | H24 | 108.3° | 109.5° |
| C17 | C20 | N2 | 110.1° | 109.5° |
| C17 | C20 | C19 | 111.0° | 109.5° |
| C20 | C17 | H25 | 108.3° | 109.4° |
| C20 | C17 | H24 | 108.3° | 109.4° |
| C17 | C20 | H29 | 108.3° | 109.4° |
| O1 | C7 | C12 | 121.9° | 120.0° |
| O1 | C7 | N2 | 122.1° | 120.0° |
| N2 | C20 | C19 | 110.1° | 109.5° |
| C20 | N2 | C7 | 124.1° | 120.0° |
| N2 | C20 | H29 | 109.3° | 109.5° |
| C20 | N2 | H31 | 117.9° | 120.1° |
| C20 | C19 | O3 | 110.6° | 109.5° |
| C20 | C19 | C9 | 110.7° | 109.5° |
| C20 | C19 | H28 | 108.4° | 109.5° |
| C19 | C20 | H29 | 107.9° | 109.5° |
| C12 | C7 | N2 | 116.0° | 120.0° |
| C7 | C12 | H10 | 109.5° | 109.5° |
| C7 | C12 | H9 | 109.5° | 109.5° |
| C7 | C12 | H11 | 109.5° | 109.5° |
| C7 | N2 | H31 | 117.9° | 120.0° |
| C16 | C21 | C14 | 108.6° | 109.5° |
| C16 | C21 | C15 | 109.6° | 109.4° |
| C16 | C21 | C18 | 110.4° | 109.5° |
| C21 | C16 | H23 | 109.5° | 109.4° |
| C21 | C16 | H21 | 109.5° | 109.5° |
| C21 | C16 | H22 | 109.5° | 109.5° |
| O3 | C19 | C9 | 108.0° | 109.5° |
| O3 | C19 | H28 | 110.5° | 109.5° |
| C19 | O3 | H32 | 109.5° | 114.0° |
| C14 | C21 | C15 | 108.7° | 109.5° |
| C14 | C21 | C18 | 109.4° | 109.5° |
| C21 | C14 | H17 | 109.5° | 109.5° |
| C21 | C14 | H15 | 109.5° | 109.5° |
| C21 | C14 | H16 | 109.4° | 109.5° |
| C19 | C9 | C8 | 112.1° | 109.5° |
| C19 | C9 | N1 | 108.5° | 109.5° |
| C19 | C9 | H6 | 106.9° | 109.6° |
| C9 | C19 | H28 | 108.5° | 109.4° |
| C15 | C21 | C18 | 110.2° | 109.5° |
| C21 | C15 | H20 | 109.5° | 109.4° |
| C21 | C15 | H19 | 109.5° | 109.5° |
| C21 | C15 | H18 | 109.5° | 109.5° |
| C21 | C18 | O4 | 112.0° | 109.5° |
| C21 | C18 | H26 | 108.8° | 109.5° |
| C21 | C18 | H27 | 108.8° | 109.5° |
| C9 | C8 | O2 | 111.6° | 109.3° |
| C8 | C9 | N1 | 113.5° | 109.2° |
| C9 | C8 | H5 | 108.9° | 109.5° |
| C9 | C8 | H4 | 109.0° | 109.5° |
| C8 | C9 | H6 | 107.4° | 109.5° |
| C8 | O2 | C11 | 112.7° | 113.7° |
| O2 | C8 | H5 | 109.0° | 109.5° |
| O2 | C8 | H4 | 108.9° | 109.5° |
| C9 | N1 | C10 | 114.1° | 110.8° |
| C9 | N1 | H33 | 108.3° | 111.0° |
| N1 | C9 | H6 | 108.1° | 109.5° |
| C18 | O4 | C11 | 114.9° | 114.0° |
| O4 | C18 | H26 | 108.8° | 109.4° |
| O4 | C18 | H27 | 108.8° | 109.5° |
| O2 | C11 | O4 | 112.2° | 109.5° |
| O2 | C11 | C10 | 110.6° | 109.3° |
| O2 | C11 | H8 | 109.6° | 109.5° |
| O4 | C11 | C10 | 106.7° | 109.6° |
| O4 | C11 | H8 | 109.6° | 109.5° |
| N1 | C10 | C11 | 111.2° | 109.2° |
| N1 | C10 | C13 | 109.5° | 109.5° |
| C10 | N1 | H33 | 108.3° | 111.0° |
| N1 | C10 | H7 | 109.6° | 109.5° |
| C11 | C10 | C13 | 108.8° | 109.5° |
| C11 | C10 | H7 | 108.8° | 109.5° |
| C10 | C11 | H8 | 108.1° | 109.5° |
| C13 | C10 | H7 | 108.9° | 109.5° |
| C10 | C13 | H12 | 109.5° | 109.5° |
| C10 | C13 | H13 | 109.4° | 109.5° |
| C10 | C13 | H14 | 109.5° | 109.4° |
| H5 | C8 | H4 | 109.5° | 109.6° |
| H10 | C12 | H9 | 109.5° | 109.4° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H9 | C12 | H11 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H12 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H17 | C14 | H15 | 109.5° | 109.5° |
| H17 | C14 | H16 | 109.5° | 109.4° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H20 | C15 | H19 | 109.5° | 109.5° |
| H20 | C15 | H18 | 109.5° | 109.5° |
| H19 | C15 | H18 | 109.5° | 109.5° |
| H23 | C16 | H21 | 109.4° | 109.5° |
| H23 | C16 | H22 | 109.5° | 109.4° |
| H21 | C16 | H22 | 109.4° | 109.5° |
| H25 | C17 | H24 | 109.5° | 109.4° |
| H26 | C18 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C5 | C3 | C1 | 176.4° | 180.0° |
| F1 | C5 | C3 | C6 | 174.5° | 180.0° |
| F1 | C5 | C1 | C4 | 174.0° | 180.0° |
| F1 | C5 | C1 | H1 | 6.0° | 0.1° |
| F1 | C5 | C3 | H3 | 5.5° | 0.0° |
| C5 | C3 | C6 | H3 | 180.0° | 180.0° |
| C5 | C3 | C6 | F2 | 178.4° | 179.7° |
| C5 | C3 | C6 | C2 | 0.7° | 0.0° |
| C3 | C5 | C1 | C4 | 2.3° | 0.0° |
| C3 | C5 | C1 | H1 | 177.7° | 180.0° |
| C6 | C3 | C5 | C1 | 1.9° | 0.0° |
| C3 | C6 | F2 | C2 | 179.2° | 179.7° |
| C3 | C6 | C2 | C4 | 0.1° | 0.0° |
| C3 | C6 | C2 | H2 | 179.9° | 180.0° |
| C5 | C1 | C4 | H1 | 180.0° | 180.0° |
| C5 | C1 | C4 | C2 | 1.6° | 0.0° |
| C5 | C1 | C4 | C17 | 177.0° | 180.0° |
| C1 | C5 | C3 | H3 | 178.2° | 180.0° |
| F2 | C6 | C2 | C4 | 179.0° | 179.7° |
| F2 | C6 | C3 | H3 | 1.6° | 0.3° |
| F2 | C6 | C2 | H2 | 1.0° | 0.3° |
| C6 | C2 | C4 | C1 | 0.5° | 0.0° |
| C6 | C2 | C4 | H2 | 180.0° | 180.0° |
| C6 | C2 | C4 | C17 | 178.1° | 180.0° |
| C2 | C6 | C3 | H3 | 179.3° | 180.0° |
| C1 | C4 | C2 | C17 | 178.6° | 180.0° |
| C1 | C4 | C17 | C20 | 59.0° | 90.0° |
| C1 | C4 | C2 | H2 | 179.5° | 180.0° |
| C1 | C4 | C17 | H25 | 61.6° | 150.0° |
| C1 | C4 | C17 | H24 | 179.7° | 30.0° |
| C2 | C4 | C17 | C20 | 119.5° | 90.0° |
| C2 | C4 | C1 | H1 | 178.4° | 180.0° |
| C2 | C4 | C17 | H25 | 119.8° | 30.0° |
| C2 | C4 | C17 | H24 | 1.1° | 150.0° |
| C4 | C17 | C20 | H25 | 120.7° | 120.1° |
| C4 | C17 | C20 | H24 | 120.7° | 120.1° |
| C4 | C17 | C20 | N2 | 56.2° | 65.0° |
| C4 | C17 | C20 | C19 | 178.4° | 175.0° |
| C17 | C4 | C1 | H1 | 2.9° | 0.0° |
| C17 | C4 | C2 | H2 | 1.9° | 0.1° |
| C4 | C17 | H25 | H24 | 117.9° | 120.1° |
| C4 | C17 | C20 | H29 | 63.2° | 55.0° |
| C17 | C20 | N2 | C19 | 122.7° | 120.0° |
| C17 | C20 | N2 | H29 | 118.9° | 119.9° |
| C17 | C20 | C19 | H29 | 118.6° | 120.0° |
| C17 | C20 | N2 | C7 | 107.4° | 60.1° |
| C17 | C20 | C19 | O3 | 59.0° | 60.0° |
| C17 | C20 | C19 | C9 | 178.7° | 180.0° |
| C20 | C17 | H25 | H24 | 117.9° | 119.9° |
| C17 | C20 | C19 | H28 | 62.3° | 60.0° |
| C17 | C20 | N2 | H31 | 72.6° | 120.0° |
| O1 | C7 | N2 | C20 | 18.8° | 0.0° |
| O1 | C7 | C12 | N2 | 178.6° | 179.7° |
| O1 | C7 | C12 | H10 | 0.0° | 90.0° |
| O1 | C7 | C12 | H9 | 120.0° | 150.0° |
| O1 | C7 | C12 | H11 | 120.0° | 30.0° |
| O1 | C7 | N2 | H31 | 161.2° | 180.0° |
| N2 | C20 | C19 | H29 | 119.2° | 120.0° |
| C20 | N2 | C7 | C12 | 159.7° | 179.7° |
| C20 | N2 | C7 | H31 | 180.0° | 180.0° |
| N2 | C20 | C19 | O3 | 178.8° | 180.0° |
| N2 | C20 | C19 | C9 | 59.1° | 60.0° |
| N2 | C20 | C17 | H25 | 176.9° | 175.0° |
| N2 | C20 | C17 | H24 | 64.4° | 55.1° |
| N2 | C20 | C19 | H28 | 59.8° | 60.0° |
| C19 | C20 | N2 | C7 | 129.9° | 60.0° |
| C20 | C19 | O3 | C9 | 121.3° | 120.0° |
| C20 | C19 | O3 | H28 | 120.1° | 120.0° |
| C20 | C19 | C9 | H28 | 118.9° | 120.0° |
| C20 | C19 | C9 | C8 | 60.1° | 65.0° |
| C20 | C19 | C9 | N1 | 173.7° | 175.2° |
| C20 | C19 | C9 | H6 | 57.4° | 55.1° |
| C19 | C20 | C17 | H25 | 60.9° | 54.9° |
| C19 | C20 | C17 | H24 | 57.7° | 65.0° |
| C19 | C20 | N2 | H31 | 50.1° | 120.0° |
| C20 | C19 | O3 | H32 | 180.0° | 60.0° |
| C7 | C12 | H10 | H9 | 120.0° | 120.0° |
| C7 | C12 | H10 | H11 | 120.0° | 120.0° |
| C7 | C12 | H9 | H11 | 120.0° | 120.0° |
| C12 | C7 | N2 | H31 | 20.3° | 0.3° |
| N2 | C7 | C12 | H10 | 178.6° | 89.7° |
| N2 | C7 | C12 | H9 | 61.4° | 30.3° |
| N2 | C7 | C12 | H11 | 58.5° | 150.3° |
| C7 | N2 | C20 | H29 | 11.5° | 180.0° |
| C16 | C21 | C14 | C15 | 119.1° | 120.0° |
| C16 | C21 | C14 | C18 | 120.5° | 120.0° |
| C16 | C21 | C15 | C18 | 121.6° | 119.9° |
| C16 | C21 | C18 | O4 | 65.1° | 179.9° |
| C16 | C21 | C14 | H17 | 180.0° | 60.0° |
| C16 | C21 | C14 | H15 | 60.0° | 180.0° |
| C16 | C21 | C14 | H16 | 60.0° | 60.0° |
| C16 | C21 | C15 | H20 | 180.0° | 60.0° |
| C16 | C21 | C15 | H19 | 60.0° | 60.0° |
| C16 | C21 | C15 | H18 | 60.0° | 180.0° |
| C21 | C16 | H23 | H21 | 120.0° | 120.0° |
| C21 | C16 | H23 | H22 | 120.0° | 120.0° |
| C21 | C16 | H21 | H22 | 120.0° | 120.1° |
| C16 | C21 | C18 | H26 | 55.3° | 60.0° |
| C16 | C21 | C18 | H27 | 174.5° | 60.0° |
| O3 | C19 | C9 | H28 | 119.9° | 120.0° |
| O3 | C19 | C9 | C8 | 61.1° | 55.0° |
| O3 | C19 | C9 | N1 | 65.1° | 64.7° |
| O3 | C19 | C9 | H6 | 178.6° | 175.2° |
| O3 | C19 | C20 | H29 | 59.6° | 60.0° |
| C14 | C21 | C15 | C18 | 119.9° | 120.0° |
| C14 | C21 | C18 | O4 | 175.5° | 60.0° |
| C21 | C14 | H17 | H15 | 120.0° | 120.0° |
| C21 | C14 | H17 | H16 | 120.0° | 120.0° |
| C21 | C14 | H15 | H16 | 120.0° | 120.0° |
| C14 | C21 | C15 | H20 | 61.5° | 60.0° |
| C14 | C21 | C15 | H19 | 58.6° | 180.0° |
| C14 | C21 | C15 | H18 | 178.6° | 60.0° |
| C14 | C21 | C16 | H23 | 180.0° | 60.0° |
| C14 | C21 | C16 | H21 | 60.0° | 180.0° |
| C14 | C21 | C16 | H22 | 60.0° | 59.9° |
| C14 | C21 | C18 | H26 | 64.1° | 180.0° |
| C14 | C21 | C18 | H27 | 55.1° | 60.0° |
| C19 | C9 | C8 | N1 | 123.4° | 119.9° |
| C19 | C9 | C8 | H6 | 117.1° | 120.2° |
| C19 | C9 | C8 | O2 | 170.5° | 176.8° |
| C19 | C9 | N1 | H6 | 115.6° | 120.2° |
| C19 | C9 | N1 | C10 | 169.3° | 178.6° |
| C19 | C9 | N1 | H33 | 48.6° | 54.7° |
| C19 | C9 | C8 | H5 | 69.2° | 56.9° |
| C19 | C9 | C8 | H4 | 50.2° | 63.3° |
| C9 | C19 | C20 | H29 | 60.1° | 60.1° |
| C9 | C19 | O3 | H32 | 58.7° | 60.1° |
| C15 | C21 | C18 | O4 | 56.0° | 60.0° |
| C15 | C21 | C14 | H17 | 60.8° | 60.0° |
| C15 | C21 | C14 | H15 | 179.1° | 60.0° |
| C15 | C21 | C14 | H16 | 59.1° | 180.0° |
| C21 | C15 | H20 | H19 | 120.0° | 120.0° |
| C21 | C15 | H20 | H18 | 120.0° | 120.0° |
| C21 | C15 | H19 | H18 | 120.0° | 120.0° |
| C15 | C21 | C16 | H23 | 61.4° | 180.0° |
| C15 | C21 | C16 | H21 | 58.6° | 60.0° |
| C15 | C21 | C16 | H22 | 178.6° | 60.1° |
| C15 | C21 | C18 | H26 | 176.4° | 60.0° |
| C15 | C21 | C18 | H27 | 64.4° | 180.0° |
| C21 | C18 | O4 | H26 | 120.4° | 120.0° |
| C21 | C18 | O4 | H27 | 120.4° | 120.0° |
| C21 | C18 | O4 | C11 | 165.9° | 180.0° |
| C18 | C21 | C14 | H17 | 59.5° | 180.0° |
| C18 | C21 | C14 | H15 | 60.5° | 60.0° |
| C18 | C21 | C14 | H16 | 179.5° | 60.0° |
| C18 | C21 | C15 | H20 | 58.4° | 180.0° |
| C18 | C21 | C15 | H19 | 178.4° | 60.0° |
| C18 | C21 | C15 | H18 | 61.6° | 60.0° |
| C18 | C21 | C16 | H23 | 60.1° | 60.0° |
| C18 | C21 | C16 | H21 | 179.9° | 60.0° |
| C18 | C21 | C16 | H22 | 59.9° | 180.0° |
| C21 | C18 | H26 | H27 | 118.8° | 120.0° |
| C9 | C8 | O2 | H5 | 120.3° | 119.9° |
| C9 | C8 | O2 | H4 | 120.3° | 119.9° |
| C8 | C9 | N1 | H6 | 119.1° | 119.9° |
| C9 | C8 | O2 | C11 | 56.6° | 58.7° |
| C8 | C9 | N1 | C10 | 43.9° | 58.7° |
| C8 | C9 | N1 | H33 | 76.8° | 65.2° |
| C9 | C8 | H5 | H4 | 119.0° | 120.1° |
| C8 | C9 | C19 | H28 | 179.0° | 175.0° |
| O2 | C8 | C9 | N1 | 47.1° | 56.9° |
| C8 | O2 | C11 | O4 | 58.1° | 61.3° |
| C8 | O2 | C11 | C10 | 60.8° | 58.7° |
| O2 | C8 | H5 | H4 | 119.0° | 120.1° |
| O2 | C8 | C9 | H6 | 72.4° | 63.1° |
| C8 | O2 | C11 | H8 | 179.9° | 178.6° |
| C9 | N1 | C10 | H33 | 120.7° | 123.8° |
| C9 | N1 | C10 | C11 | 47.2° | 58.7° |
| C9 | N1 | C10 | C13 | 73.1° | 61.3° |
| N1 | C9 | C8 | H5 | 167.4° | 63.0° |
| N1 | C9 | C8 | H4 | 73.3° | 176.8° |
| C9 | N1 | C10 | H7 | 167.6° | 178.6° |
| N1 | C9 | C19 | H28 | 54.8° | 55.3° |
| C18 | O4 | C11 | O2 | 65.8° | 65.0° |
| C18 | O4 | C11 | C10 | 172.9° | 175.2° |
| C18 | O4 | C11 | H8 | 56.2° | 55.1° |
| O4 | C18 | H26 | H27 | 118.9° | 120.0° |
| O2 | C11 | O4 | C10 | 121.2° | 119.8° |
| O2 | C11 | O4 | H8 | 122.0° | 120.1° |
| O2 | C11 | C10 | N1 | 55.2° | 56.9° |
| O2 | C11 | C10 | H8 | 119.9° | 119.9° |
| O2 | C11 | C10 | C13 | 65.5° | 63.1° |
| C11 | O2 | C8 | H5 | 176.9° | 61.2° |
| C11 | O2 | C8 | H4 | 63.7° | 178.6° |
| O2 | C11 | C10 | H7 | 176.0° | 176.8° |
| O4 | C11 | C10 | N1 | 67.1° | 63.1° |
| O4 | C11 | C10 | H8 | 117.8° | 120.1° |
| O4 | C11 | C10 | C13 | 172.3° | 177.0° |
| O4 | C11 | C10 | H7 | 53.8° | 56.9° |
| C11 | O4 | C18 | H26 | 45.5° | 60.0° |
| C11 | O4 | C18 | H27 | 73.7° | 59.9° |
| N1 | C10 | C11 | C13 | 120.6° | 120.0° |
| N1 | C10 | C11 | H7 | 120.8° | 119.9° |
| N1 | C10 | C13 | H7 | 119.8° | 120.1° |
| C10 | N1 | C9 | H6 | 75.2° | 61.3° |
| N1 | C10 | C11 | H8 | 175.1° | 176.8° |
| N1 | C10 | C13 | H12 | 180.0° | 60.0° |
| N1 | C10 | C13 | H13 | 60.0° | 180.0° |
| N1 | C10 | C13 | H14 | 60.0° | 60.0° |
| C11 | C10 | C13 | H7 | 118.5° | 120.1° |
| C11 | C10 | N1 | H33 | 73.5° | 65.2° |
| C11 | C10 | C13 | H12 | 58.3° | 59.8° |
| C11 | C10 | C13 | H13 | 178.3° | 60.2° |
| C11 | C10 | C13 | H14 | 61.7° | 179.8° |
| C13 | C10 | N1 | H33 | 166.3° | 174.9° |
| C13 | C10 | C11 | H8 | 54.5° | 56.8° |
| C10 | C13 | H12 | H13 | 120.0° | 120.0° |
| C10 | C13 | H12 | H14 | 120.0° | 119.9° |
| C10 | C13 | H13 | H14 | 120.0° | 119.9° |
| H33 | N1 | C9 | H6 | 164.1° | 174.9° |
| H33 | N1 | C10 | H7 | 46.9° | 54.8° |
| H5 | C8 | C9 | H6 | 48.0° | 177.0° |
| H4 | C8 | C9 | H6 | 167.3° | 56.9° |
| H6 | C9 | C19 | H28 | 61.5° | 64.9° |
| H7 | C10 | C11 | H8 | 64.1° | 63.3° |
| H7 | C10 | C13 | H12 | 60.2° | 179.9° |
| H7 | C10 | C13 | H13 | 59.8° | 59.9° |
| H7 | C10 | C13 | H14 | 179.8° | 60.1° |
| H10 | C12 | H9 | H11 | 120.0° | 120.0° |
| H12 | C13 | H13 | H14 | 120.0° | 120.1° |
| H17 | C14 | H15 | H16 | 120.0° | 120.0° |
| H20 | C15 | H19 | H18 | 120.0° | 120.0° |
| H23 | C16 | H21 | H22 | 120.0° | 120.0° |
| H25 | C17 | C20 | H29 | 57.5° | 65.1° |
| H24 | C17 | C20 | H29 | 176.1° | 175.1° |
| H28 | C19 | C20 | H29 | 179.0° | 180.0° |
| H28 | C19 | O3 | H32 | 59.9° | 180.0° |
| H29 | C20 | N2 | H31 | 168.5° | 0.0° |
