QFO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | S1 | doub | 1.42Å | 1.43Å | |
| C10 | S1 | sing | 1.81Å | 1.75Å | |
| S1 | C9 | sing | 1.81Å | 1.78Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.54Å | 1.58Å | |
| C7 | N2 | sing | 1.48Å | 1.45Å | |
| F1 | C22 | sing | 1.40Å | 1.43Å | |
| N3 | C13 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | C14 | sing | 1.33Å | 1.35Å | Aromatic |
| C8 | C11 | sing | 1.54Å | 1.57Å | |
| N4 | C14 | sing | 1.39Å | 1.40Å | |
| N4 | C15 | sing | 1.39Å | 1.39Å | |
| C13 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| N2 | C11 | sing | 1.48Å | 1.47Å | |
| N2 | C6 | sing | 1.38Å | 1.42Å | |
| C15 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C12 | C6 | doub | 1.41Å | 1.44Å | Aromatic |
| C12 | C26 | sing | 1.42Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| N5 | C16 | doub | 1.32Å | 1.36Å | Aromatic |
| C26 | C4 | doub | 1.41Å | 1.44Å | Aromatic |
| N1 | C5 | doub | 1.33Å | 1.33Å | Aromatic |
| C17 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.36Å | 1.38Å | Aromatic |
| C4 | C2 | sing | 1.51Å | 1.52Å | |
| C16 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C16 | N7 | sing | 1.38Å | 1.35Å | |
| O3 | C21 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| N7 | C24 | sing | 1.47Å | 1.47Å | |
| N7 | C19 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| O3 | H28 | sing | 0.97Å | 0.95Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | S1 | C10 | 107.5° | 108.6° |
| O1 | S1 | C9 | 107.6° | 108.5° |
| O1 | S1 | O2 | 119.5° | 119.3° |
| C10 | S1 | C9 | 106.6° | 101.9° |
| C10 | S1 | O2 | 107.4° | 108.6° |
| S1 | C10 | H14 | 109.5° | 109.5° |
| S1 | C10 | H15 | 109.5° | 109.4° |
| S1 | C10 | H16 | 109.5° | 109.5° |
| C9 | S1 | O2 | 107.5° | 108.6° |
| S1 | C9 | C8 | 113.1° | 109.5° |
| S1 | C9 | H12 | 108.6° | 109.5° |
| S1 | C9 | H13 | 108.5° | 109.5° |
| C9 | C8 | C7 | 116.5° | 113.7° |
| C9 | C8 | C11 | 114.0° | 113.7° |
| C9 | C8 | H11 | 111.7° | 113.0° |
| C8 | C9 | H12 | 108.5° | 109.5° |
| C8 | C9 | H13 | 108.5° | 109.5° |
| C8 | C7 | N2 | 83.8° | 86.2° |
| C7 | C8 | C11 | 91.2° | 86.4° |
| C8 | C7 | H9 | 115.4° | 113.7° |
| C8 | C7 | H10 | 115.5° | 113.8° |
| C7 | C8 | H11 | 110.9° | 113.7° |
| C7 | N2 | C11 | 101.0° | 90.8° |
| C7 | N2 | C6 | 130.7° | 111.0° |
| N2 | C7 | H9 | 115.5° | 113.7° |
| N2 | C7 | H10 | 115.4° | 113.8° |
| F1 | C22 | C23 | 110.1° | 109.5° |
| F1 | C22 | C24 | 108.9° | 109.5° |
| F1 | C22 | C21 | 107.9° | 109.5° |
| C13 | N3 | C14 | 120.2° | 122.7° |
| N3 | C13 | C12 | 123.9° | 120.0° |
| N3 | C13 | H19 | 118.0° | 120.0° |
| N3 | C14 | N4 | 114.2° | 119.2° |
| N3 | C14 | C25 | 121.1° | 121.5° |
| C8 | C11 | N2 | 83.8° | 86.2° |
| C11 | C8 | H11 | 111.0° | 113.8° |
| C8 | C11 | H17 | 115.5° | 113.7° |
| C8 | C11 | H18 | 115.4° | 113.8° |
| C14 | N4 | C15 | 131.4° | 120.0° |
| N4 | C14 | C25 | 124.7° | 119.3° |
| C14 | N4 | H20 | 114.3° | 120.0° |
| N4 | C15 | C18 | 119.5° | 120.5° |
| N4 | C15 | N5 | 119.9° | 120.5° |
| C15 | N4 | H20 | 114.3° | 120.0° |
| C13 | C12 | C6 | 125.1° | 122.7° |
| C13 | C12 | C26 | 117.2° | 118.9° |
| C12 | C13 | H19 | 118.1° | 120.0° |
| C14 | C25 | C26 | 119.2° | 118.4° |
| C14 | C25 | H34 | 120.4° | 120.9° |
| C11 | N2 | C6 | 128.2° | 111.0° |
| N2 | C11 | H17 | 115.4° | 113.8° |
| N2 | C11 | H18 | 115.4° | 113.7° |
| N2 | C6 | C12 | 123.5° | 120.2° |
| N2 | C6 | N1 | 114.5° | 120.2° |
| C18 | C15 | N5 | 120.6° | 119.0° |
| C15 | C18 | C17 | 117.1° | 118.5° |
| C15 | C18 | H22 | 121.4° | 120.8° |
| C15 | N5 | C16 | 118.2° | 120.6° |
| C6 | C12 | C26 | 117.7° | 118.4° |
| C12 | C6 | N1 | 122.0° | 119.6° |
| C12 | C26 | C25 | 118.4° | 118.5° |
| C12 | C26 | C4 | 117.9° | 118.5° |
| C18 | C17 | N6 | 123.4° | 119.3° |
| C18 | C17 | H21 | 118.3° | 120.3° |
| C17 | C18 | H22 | 121.4° | 120.7° |
| C6 | N1 | C5 | 120.3° | 122.8° |
| C25 | C26 | C4 | 123.7° | 123.0° |
| C26 | C25 | H34 | 120.4° | 120.8° |
| N5 | C16 | N6 | 124.1° | 121.7° |
| N5 | C16 | N7 | 118.6° | 119.2° |
| C26 | C4 | C5 | 119.3° | 118.7° |
| C26 | C4 | C2 | 121.2° | 120.7° |
| N1 | C5 | C4 | 122.7° | 122.0° |
| N1 | C5 | H8 | 118.6° | 119.0° |
| C17 | N6 | C16 | 116.5° | 120.9° |
| N6 | C17 | H21 | 118.3° | 120.3° |
| C23 | C22 | C24 | 108.6° | 109.5° |
| C23 | C22 | C21 | 111.8° | 109.5° |
| C22 | C23 | H29 | 109.5° | 109.5° |
| C22 | C23 | H30 | 109.5° | 109.5° |
| C22 | C23 | H31 | 109.5° | 109.5° |
| C24 | C22 | C21 | 109.6° | 109.3° |
| C22 | C24 | N7 | 112.8° | 109.5° |
| C22 | C24 | H32 | 108.6° | 109.5° |
| C22 | C24 | H33 | 108.6° | 109.5° |
| C22 | C21 | O3 | 111.9° | 109.6° |
| C22 | C21 | C20 | 109.6° | 109.2° |
| C22 | C21 | H27 | 108.1° | 109.5° |
| C5 | C4 | C2 | 119.5° | 120.6° |
| C4 | C5 | H8 | 118.6° | 119.0° |
| C4 | C2 | C3 | 113.4° | 109.5° |
| C4 | C2 | C1 | 111.8° | 109.5° |
| C4 | C2 | H4 | 106.7° | 109.4° |
| N6 | C16 | N7 | 117.4° | 119.2° |
| C16 | N7 | C24 | 122.1° | 111.0° |
| C16 | N7 | C19 | 122.0° | 111.0° |
| O3 | C21 | C20 | 109.4° | 109.5° |
| O3 | C21 | H27 | 109.4° | 109.5° |
| C21 | O3 | H28 | 109.5° | 114.0° |
| C3 | C2 | C1 | 111.4° | 109.5° |
| C3 | C2 | H4 | 106.5° | 109.4° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C3 | H7 | 109.4° | 109.5° |
| C21 | C20 | C19 | 110.4° | 109.3° |
| C21 | C20 | H25 | 109.2° | 109.5° |
| C21 | C20 | H26 | 109.3° | 109.5° |
| C20 | C21 | H27 | 108.3° | 109.5° |
| C20 | C19 | N7 | 113.3° | 109.5° |
| C20 | C19 | H23 | 108.5° | 109.4° |
| C20 | C19 | H24 | 108.5° | 109.5° |
| C19 | C20 | H25 | 109.2° | 109.5° |
| C19 | C20 | H26 | 109.3° | 109.5° |
| C24 | N7 | C19 | 115.5° | 111.2° |
| N7 | C24 | H32 | 108.6° | 109.5° |
| N7 | C24 | H33 | 108.6° | 109.4° |
| N7 | C19 | H23 | 108.5° | 109.4° |
| N7 | C19 | H24 | 108.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 106.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H7 | 109.5° | 109.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 113.0° |
| H12 | C9 | H13 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H14 | C10 | H16 | 109.4° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 113.1° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.6° |
| H29 | C23 | H30 | 109.4° | 109.4° |
| H29 | C23 | H31 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | S1 | C10 | C9 | 115.2° | 114.4° |
| O1 | S1 | C10 | O2 | 129.8° | 131.1° |
| O1 | S1 | C9 | O2 | 130.0° | 131.1° |
| O1 | S1 | C9 | C8 | 168.5° | 65.6° |
| O1 | S1 | C9 | H12 | 48.0° | 174.4° |
| O1 | S1 | C9 | H13 | 71.0° | 54.5° |
| O1 | S1 | C10 | H14 | 180.0° | 54.4° |
| O1 | S1 | C10 | H15 | 60.0° | 65.5° |
| O1 | S1 | C10 | H16 | 60.0° | 174.4° |
| C10 | S1 | C9 | O2 | 114.9° | 114.5° |
| C10 | S1 | C9 | C8 | 53.4° | 180.0° |
| C10 | S1 | C9 | H12 | 67.2° | 60.0° |
| C10 | S1 | C9 | H13 | 173.9° | 60.0° |
| S1 | C10 | H14 | H15 | 120.0° | 119.9° |
| S1 | C10 | H14 | H16 | 120.0° | 120.0° |
| S1 | C10 | H15 | H16 | 120.0° | 120.1° |
| S1 | C9 | C8 | H12 | 120.6° | 120.0° |
| S1 | C9 | C8 | H13 | 120.5° | 120.0° |
| S1 | C9 | C8 | C7 | 74.4° | 175.0° |
| S1 | C9 | C8 | C11 | 178.7° | 88.3° |
| S1 | C9 | C8 | H11 | 54.5° | 43.4° |
| S1 | C9 | H12 | H13 | 118.3° | 120.1° |
| C9 | S1 | C10 | H14 | 64.8° | 60.1° |
| C9 | S1 | C10 | H15 | 175.2° | 179.9° |
| C9 | S1 | C10 | H16 | 55.2° | 60.0° |
| O2 | S1 | C9 | C8 | 61.5° | 65.5° |
| O2 | S1 | C9 | H12 | 177.9° | 54.5° |
| O2 | S1 | C9 | H13 | 59.0° | 174.5° |
| O2 | S1 | C10 | H14 | 50.2° | 174.5° |
| O2 | S1 | C10 | H15 | 69.8° | 65.6° |
| O2 | S1 | C10 | H16 | 170.2° | 54.5° |
| C9 | C8 | C7 | C11 | 117.7° | 114.4° |
| C9 | C8 | C7 | H11 | 129.2° | 131.2° |
| C9 | C8 | C7 | N2 | 120.3° | 138.1° |
| C9 | C8 | C11 | H11 | 127.2° | 131.3° |
| C9 | C8 | C11 | N2 | 122.5° | 138.1° |
| C9 | C8 | C7 | H9 | 124.4° | 23.8° |
| C9 | C8 | C7 | H10 | 5.1° | 107.6° |
| C8 | C9 | H12 | H13 | 118.3° | 119.9° |
| C9 | C8 | C11 | H17 | 7.2° | 107.6° |
| C9 | C8 | C11 | H18 | 122.2° | 23.8° |
| C8 | C7 | N2 | H9 | 115.3° | 114.3° |
| C8 | C7 | N2 | H10 | 115.3° | 114.3° |
| C7 | C8 | C11 | H11 | 112.9° | 114.3° |
| C8 | C7 | N2 | C11 | 2.9° | 24.7° |
| C8 | C7 | N2 | C6 | 179.8° | 137.6° |
| C8 | C7 | H9 | H10 | 132.3° | 131.7° |
| C7 | C8 | C9 | H12 | 46.2° | 65.0° |
| C7 | C8 | C9 | H13 | 165.1° | 54.9° |
| C7 | C8 | C11 | H17 | 112.7° | 138.0° |
| C7 | C8 | C11 | H18 | 117.9° | 90.6° |
| C7 | N2 | C11 | C6 | 177.1° | 112.9° |
| C7 | N2 | C6 | C12 | 9.9° | 80.6° |
| C7 | N2 | C6 | N1 | 169.5° | 99.4° |
| N2 | C7 | H9 | H10 | 132.3° | 131.8° |
| N2 | C7 | C8 | H11 | 110.5° | 90.7° |
| C7 | N2 | C11 | H17 | 112.4° | 139.0° |
| C7 | N2 | C11 | H18 | 118.2° | 89.7° |
| F1 | C22 | C23 | C24 | 119.1° | 120.1° |
| F1 | C22 | C23 | C21 | 119.9° | 120.1° |
| F1 | C22 | C24 | C21 | 117.8° | 120.0° |
| F1 | C22 | C21 | O3 | 62.3° | 57.6° |
| F1 | C22 | C21 | C20 | 59.3° | 62.3° |
| F1 | C22 | C24 | N7 | 64.3° | 60.8° |
| F1 | C22 | C21 | H27 | 177.1° | 177.8° |
| F1 | C22 | C23 | H29 | 180.0° | 179.9° |
| F1 | C22 | C23 | H30 | 60.0° | 60.0° |
| F1 | C22 | C23 | H31 | 60.0° | 60.1° |
| F1 | C22 | C24 | H32 | 175.2° | 59.2° |
| F1 | C22 | C24 | H33 | 56.2° | 179.2° |
| C13 | N3 | C14 | N4 | 177.9° | 180.0° |
| N3 | C13 | C12 | H19 | 180.0° | 180.0° |
| C13 | N3 | C14 | C25 | 2.0° | 0.0° |
| N3 | C13 | C12 | C6 | 179.0° | 180.0° |
| N3 | C13 | C12 | C26 | 1.2° | 0.2° |
| N3 | C14 | N4 | C25 | 179.9° | 180.0° |
| N3 | C14 | N4 | C15 | 159.9° | 5.2° |
| C14 | N3 | C13 | C12 | 2.5° | 0.0° |
| N3 | C14 | C25 | C26 | 0.2° | 0.3° |
| C14 | N3 | C13 | H19 | 177.5° | 180.0° |
| N3 | C14 | N4 | H20 | 20.1° | 174.7° |
| N3 | C14 | C25 | H34 | 179.8° | 180.0° |
| C8 | C11 | N2 | H17 | 115.3° | 114.3° |
| C8 | C11 | N2 | H18 | 115.3° | 114.3° |
| C8 | C11 | N2 | C6 | 180.0° | 137.6° |
| C11 | C8 | C7 | H9 | 117.9° | 90.6° |
| C11 | C8 | C7 | H10 | 112.6° | 138.1° |
| C11 | C8 | C9 | H12 | 58.2° | 31.8° |
| C11 | C8 | C9 | H13 | 60.7° | 151.7° |
| C8 | C11 | H17 | H18 | 132.3° | 131.8° |
| C14 | N4 | C15 | H20 | 180.0° | 179.9° |
| C14 | N4 | C15 | C18 | 152.2° | 174.8° |
| C14 | N4 | C15 | N5 | 27.3° | 5.4° |
| N4 | C14 | C25 | C26 | 179.8° | 179.8° |
| N4 | C14 | C25 | H34 | 0.3° | 0.0° |
| C15 | N4 | C14 | C25 | 20.2° | 174.7° |
| N4 | C15 | C18 | N5 | 179.5° | 179.8° |
| N4 | C15 | C18 | C17 | 178.3° | 179.7° |
| N4 | C15 | N5 | C16 | 179.0° | 180.0° |
| N4 | C15 | C18 | H22 | 1.6° | 0.0° |
| C13 | C12 | C6 | N2 | 0.7° | 0.0° |
| C13 | C12 | C6 | C26 | 179.8° | 179.7° |
| C13 | C12 | C6 | N1 | 180.0° | 180.0° |
| C13 | C12 | C26 | C25 | 0.7° | 0.5° |
| C13 | C12 | C26 | C4 | 179.7° | 179.7° |
| C14 | C25 | C26 | C12 | 1.1° | 0.5° |
| C14 | C25 | C26 | H34 | 180.0° | 179.7° |
| C14 | C25 | C26 | C4 | 180.0° | 179.7° |
| C25 | C14 | N4 | H20 | 159.9° | 5.4° |
| C11 | N2 | C6 | C12 | 173.9° | 180.0° |
| C11 | N2 | C6 | N1 | 6.7° | 0.0° |
| C11 | N2 | C7 | H9 | 118.1° | 89.6° |
| C11 | N2 | C7 | H10 | 112.4° | 139.0° |
| N2 | C11 | C8 | H11 | 110.3° | 90.7° |
| N2 | C11 | H17 | H18 | 132.3° | 131.7° |
| N2 | C6 | C12 | N1 | 179.3° | 180.0° |
| N2 | C6 | C12 | C26 | 179.1° | 179.7° |
| N2 | C6 | N1 | C5 | 178.9° | 180.0° |
| C6 | N2 | C7 | H9 | 64.9° | 23.3° |
| C6 | N2 | C7 | H10 | 64.6° | 108.1° |
| C6 | N2 | C11 | H17 | 64.7° | 108.1° |
| C6 | N2 | C11 | H18 | 64.8° | 23.3° |
| C15 | C18 | C17 | H22 | 180.0° | 179.7° |
| C18 | C15 | N5 | C16 | 0.6° | 0.3° |
| C15 | C18 | C17 | N6 | 0.1° | 0.6° |
| C18 | C15 | N4 | H20 | 27.8° | 5.3° |
| C15 | C18 | C17 | H21 | 179.9° | 179.8° |
| N5 | C15 | C18 | C17 | 1.2° | 0.6° |
| C15 | N5 | C16 | N6 | 1.2° | 0.1° |
| C15 | N5 | C16 | N7 | 179.8° | 180.0° |
| N5 | C15 | N4 | H20 | 152.7° | 174.5° |
| N5 | C15 | C18 | H22 | 178.8° | 179.7° |
| C6 | C12 | C26 | C25 | 179.2° | 179.8° |
| C6 | C12 | C26 | C4 | 0.2° | 0.5° |
| C12 | C6 | N1 | C5 | 0.4° | 0.0° |
| C6 | C12 | C13 | H19 | 1.0° | 0.0° |
| C26 | C12 | C6 | N1 | 0.2° | 0.3° |
| C12 | C26 | C25 | C4 | 178.9° | 179.2° |
| C12 | C26 | C4 | C5 | 0.3° | 0.6° |
| C12 | C26 | C4 | C2 | 179.6° | 179.8° |
| C26 | C12 | C13 | H19 | 178.9° | 179.7° |
| C12 | C26 | C25 | H34 | 178.9° | 179.8° |
| C18 | C17 | N6 | H21 | 180.0° | 179.6° |
| C18 | C17 | N6 | C16 | 1.5° | 0.3° |
| C6 | N1 | C5 | C4 | 0.3° | 0.0° |
| C6 | N1 | C5 | H8 | 179.7° | 180.0° |
| C25 | C26 | C4 | C5 | 179.2° | 179.7° |
| C25 | C26 | C4 | C2 | 1.5° | 0.6° |
| N5 | C16 | N6 | C17 | 2.3° | 0.1° |
| N5 | C16 | N6 | N7 | 178.5° | 179.9° |
| N5 | C16 | N7 | C24 | 10.5° | 180.0° |
| N5 | C16 | N7 | C19 | 177.6° | 55.7° |
| C26 | C4 | C5 | N1 | 0.1° | 0.3° |
| C26 | C4 | C5 | C2 | 179.3° | 179.7° |
| C26 | C4 | C2 | C3 | 153.5° | 120.3° |
| C26 | C4 | C2 | C1 | 79.5° | 119.7° |
| C26 | C4 | C2 | H4 | 36.6° | 0.4° |
| C26 | C4 | C5 | H8 | 179.9° | 179.7° |
| C4 | C26 | C25 | H34 | 0.0° | 0.6° |
| N1 | C5 | C4 | H8 | 180.0° | 180.0° |
| N1 | C5 | C4 | C2 | 179.4° | 180.0° |
| C17 | N6 | C16 | N7 | 179.2° | 180.0° |
| N6 | C17 | C18 | H22 | 179.9° | 179.7° |
| C23 | C22 | C24 | C21 | 122.3° | 119.9° |
| C23 | C22 | C21 | O3 | 58.8° | 62.5° |
| C23 | C22 | C21 | C20 | 179.6° | 177.6° |
| C23 | C22 | C24 | N7 | 175.8° | 179.1° |
| C23 | C22 | C21 | H27 | 61.7° | 57.7° |
| C22 | C23 | H29 | H30 | 120.0° | 120.0° |
| C22 | C23 | H29 | H31 | 120.0° | 120.0° |
| C22 | C23 | H30 | H31 | 120.0° | 120.0° |
| C23 | C22 | C24 | H32 | 55.4° | 60.9° |
| C23 | C22 | C24 | H33 | 63.7° | 59.1° |
| C22 | C24 | N7 | C16 | 139.3° | 174.1° |
| C24 | C22 | C21 | O3 | 179.3° | 177.6° |
| C24 | C22 | C21 | C20 | 59.1° | 57.7° |
| C22 | C24 | N7 | H32 | 120.5° | 120.0° |
| C22 | C24 | N7 | H33 | 120.5° | 120.0° |
| C22 | C24 | N7 | C19 | 48.3° | 61.7° |
| C24 | C22 | C21 | H27 | 58.7° | 62.2° |
| C24 | C22 | C23 | H29 | 60.9° | 60.0° |
| C24 | C22 | C23 | H30 | 179.1° | 180.0° |
| C24 | C22 | C23 | H31 | 59.1° | 60.0° |
| C22 | C24 | H32 | H33 | 118.5° | 120.0° |
| C22 | C21 | O3 | C20 | 121.7° | 119.7° |
| C22 | C21 | O3 | H27 | 119.8° | 120.2° |
| C22 | C21 | C20 | H27 | 117.8° | 119.9° |
| C22 | C21 | C20 | C19 | 58.4° | 57.7° |
| C21 | C22 | C24 | N7 | 53.5° | 59.2° |
| C22 | C21 | C20 | H25 | 61.7° | 177.6° |
| C22 | C21 | C20 | H26 | 178.6° | 62.3° |
| C22 | C21 | O3 | H28 | 180.0° | 179.7° |
| C21 | C22 | C23 | H29 | 60.1° | 59.8° |
| C21 | C22 | C23 | H30 | 59.9° | 60.2° |
| C21 | C22 | C23 | H31 | 179.9° | 179.8° |
| C21 | C22 | C24 | H32 | 67.0° | 179.2° |
| C21 | C22 | C24 | H33 | 174.0° | 60.8° |
| C5 | C4 | C2 | C3 | 27.2° | 60.1° |
| C5 | C4 | C2 | C1 | 99.8° | 60.0° |
| C5 | C4 | C2 | H4 | 144.2° | 180.0° |
| C4 | C2 | C3 | C1 | 127.2° | 120.1° |
| C4 | C2 | C3 | H4 | 117.0° | 119.9° |
| C4 | C2 | C1 | H4 | 116.1° | 120.0° |
| C4 | C2 | C1 | H1 | 180.0° | 180.0° |
| C4 | C2 | C1 | H2 | 60.0° | 60.0° |
| C4 | C2 | C1 | H3 | 60.0° | 60.0° |
| C4 | C2 | C3 | H5 | 180.0° | 59.9° |
| C4 | C2 | C3 | H6 | 60.0° | 180.0° |
| C4 | C2 | C3 | H7 | 60.0° | 60.0° |
| C2 | C4 | C5 | H8 | 0.7° | 0.1° |
| N6 | C16 | N7 | C24 | 168.1° | 0.1° |
| N6 | C16 | N7 | C19 | 3.8° | 124.2° |
| C16 | N6 | C17 | H21 | 178.5° | 179.9° |
| C16 | N7 | C19 | C20 | 140.2° | 174.1° |
| C16 | N7 | C24 | C19 | 172.4° | 124.1° |
| C16 | N7 | C19 | H23 | 19.6° | 65.9° |
| C16 | N7 | C19 | H24 | 99.2° | 54.1° |
| C16 | N7 | C24 | H32 | 100.2° | 54.1° |
| C16 | N7 | C24 | H33 | 18.8° | 65.9° |
| O3 | C21 | C20 | H27 | 119.2° | 120.1° |
| O3 | C21 | C20 | C19 | 178.5° | 177.6° |
| O3 | C21 | C20 | H25 | 61.4° | 62.5° |
| O3 | C21 | C20 | H26 | 58.4° | 57.7° |
| C3 | C2 | C1 | H4 | 115.8° | 120.0° |
| C3 | C2 | C1 | H1 | 52.0° | 60.0° |
| C3 | C2 | C1 | H2 | 68.1° | 180.0° |
| C3 | C2 | C1 | H3 | 171.9° | 60.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H7 | 120.0° | 120.0° |
| C2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C21 | C20 | C19 | H25 | 120.1° | 119.9° |
| C21 | C20 | C19 | H26 | 120.2° | 119.9° |
| C21 | C20 | C19 | N7 | 52.1° | 59.1° |
| C21 | C20 | C19 | H23 | 172.7° | 60.8° |
| C21 | C20 | C19 | H24 | 68.4° | 179.2° |
| C21 | C20 | H25 | H26 | 119.6° | 120.1° |
| C20 | C21 | O3 | H28 | 58.3° | 60.0° |
| C20 | C19 | N7 | C24 | 47.4° | 61.7° |
| C20 | C19 | N7 | H23 | 120.6° | 120.0° |
| C20 | C19 | N7 | H24 | 120.6° | 120.0° |
| C20 | C19 | H23 | H24 | 118.3° | 120.0° |
| C19 | C20 | H25 | H26 | 119.6° | 120.1° |
| C19 | C20 | C21 | H27 | 59.3° | 62.3° |
| C24 | N7 | C19 | H23 | 168.0° | 58.2° |
| C24 | N7 | C19 | H24 | 73.2° | 178.3° |
| N7 | C24 | H32 | H33 | 118.5° | 119.9° |
| N7 | C19 | H23 | H24 | 118.3° | 120.0° |
| N7 | C19 | C20 | H25 | 68.0° | 179.1° |
| N7 | C19 | C20 | H26 | 172.3° | 60.8° |
| C19 | N7 | C24 | H32 | 72.2° | 178.3° |
| C19 | N7 | C24 | H33 | 168.8° | 58.3° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H5 | 52.8° | 180.0° |
| C1 | C2 | C3 | H6 | 172.8° | 60.0° |
| C1 | C2 | C3 | H7 | 67.2° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 63.8° | 60.0° |
| H2 | C1 | C2 | H4 | 176.2° | 60.0° |
| H3 | C1 | C2 | H4 | 56.2° | 180.0° |
| H4 | C2 | C3 | H5 | 63.0° | 60.0° |
| H4 | C2 | C3 | H6 | 57.1° | 60.0° |
| H4 | C2 | C3 | H7 | 177.0° | 180.0° |
| H5 | C3 | H6 | H7 | 120.0° | 120.0° |
| H9 | C7 | C8 | H11 | 4.8° | 155.0° |
| H10 | C7 | C8 | H11 | 134.3° | 23.7° |
| H11 | C8 | C9 | H12 | 175.0° | 163.4° |
| H11 | C8 | C9 | H13 | 66.1° | 76.6° |
| H11 | C8 | C11 | H17 | 134.4° | 23.7° |
| H11 | C8 | C11 | H18 | 4.9° | 155.1° |
| H14 | C10 | H15 | H16 | 120.0° | 120.0° |
| H21 | C17 | C18 | H22 | 0.1° | 0.1° |
| H23 | C19 | C20 | H25 | 52.6° | 59.1° |
| H23 | C19 | C20 | H26 | 67.1° | 179.3° |
| H24 | C19 | C20 | H25 | 171.5° | 60.9° |
| H24 | C19 | C20 | H26 | 51.8° | 59.3° |
| H25 | C20 | C21 | H27 | 179.5° | 57.7° |
| H26 | C20 | C21 | H27 | 60.8° | 177.8° |
| H27 | C21 | O3 | H28 | 60.2° | 60.1° |
| H29 | C23 | H30 | H31 | 120.0° | 120.0° |
