7IX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C21 | sing | 1.40Å | 1.33Å | |
| F2 | C21 | sing | 1.40Å | 1.34Å | |
| C21 | F3 | sing | 1.40Å | 1.33Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| O1 | C10 | sing | 1.43Å | 1.41Å | |
| S1 | C17 | sing | 1.76Å | 1.76Å | Aromatic |
| S1 | C18 | sing | 1.75Å | 1.73Å | Aromatic |
| N4 | C17 | doub | 1.34Å | 1.36Å | Aromatic |
| N4 | C16 | sing | 1.31Å | 1.33Å | Aromatic |
| C20 | C18 | sing | 1.51Å | 1.49Å | |
| C17 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C18 | C19 | doub | 1.32Å | 1.37Å | Aromatic |
| C16 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.54Å | 1.54Å | |
| C10 | C12 | sing | 1.54Å | 1.53Å | |
| C15 | C19 | sing | 1.45Å | 1.44Å | Aromatic |
| C15 | C14 | doub | 1.42Å | 1.42Å | Aromatic |
| N3 | C14 | sing | 1.32Å | 1.36Å | Aromatic |
| C14 | N2 | sing | 1.38Å | 1.42Å | |
| C13 | N2 | sing | 1.47Å | 1.44Å | |
| N2 | C12 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | sing | 1.55Å | 1.53Å | |
| C12 | C11 | sing | 1.54Å | 1.52Å | |
| C11 | C8 | sing | 1.55Å | 1.54Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C23 | sing | 1.48Å | 1.44Å | |
| C23 | N6 | doub | 1.33Å | 1.35Å | Aromatic |
| C23 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
| N6 | N5 | sing | 1.28Å | 1.34Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| N5 | C22 | doub | 1.32Å | 1.36Å | Aromatic |
| C26 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | O3 | sing | 1.36Å | 1.37Å | |
| C22 | O2 | sing | 1.36Å | 1.37Å | |
| C27 | O3 | sing | 1.43Å | 1.42Å | |
| O2 | C24 | sing | 1.43Å | 1.43Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | H16 | sing | 1.01Å | 1.00Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C5 | H22 | sing | 1.08Å | 1.08Å | |
| C4 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C21 | F2 | 109.6° | 109.5° |
| F1 | C21 | F3 | 105.6° | 109.5° |
| F1 | C21 | C20 | 114.2° | 109.5° |
| F2 | C21 | F3 | 114.8° | 109.4° |
| F2 | C21 | C20 | 106.1° | 109.4° |
| F3 | C21 | C20 | 106.7° | 109.4° |
| C21 | C20 | C18 | 109.5° | 109.5° |
| C21 | C20 | H1 | 109.4° | 109.5° |
| C21 | C20 | H2 | 109.5° | 109.5° |
| O1 | C10 | C9 | 115.9° | 110.0° |
| O1 | C10 | C12 | 107.3° | 110.1° |
| O1 | C10 | H9 | 109.6° | 110.0° |
| C10 | O1 | H10 | 109.5° | 114.1° |
| C17 | S1 | C18 | 90.2° | 92.2° |
| S1 | C17 | N4 | 121.4° | 131.3° |
| S1 | C17 | C15 | 111.4° | 109.6° |
| S1 | C18 | C20 | 116.1° | 124.3° |
| S1 | C18 | C19 | 115.2° | 111.4° |
| C17 | N4 | C16 | 110.8° | 121.0° |
| N4 | C17 | C15 | 127.2° | 119.1° |
| N4 | C16 | N3 | 129.4° | 122.2° |
| N4 | C16 | H3 | 115.3° | 118.9° |
| C20 | C18 | C19 | 128.8° | 124.3° |
| C18 | C20 | H1 | 109.5° | 109.4° |
| C18 | C20 | H2 | 109.5° | 109.4° |
| C17 | C15 | C19 | 112.0° | 112.0° |
| C17 | C15 | C14 | 115.0° | 117.5° |
| C18 | C19 | C15 | 111.3° | 114.8° |
| C18 | C19 | H4 | 124.3° | 122.6° |
| C16 | N3 | C14 | 119.5° | 121.2° |
| N3 | C16 | H3 | 115.3° | 118.9° |
| C9 | C10 | C12 | 107.8° | 106.6° |
| C10 | C9 | C8 | 102.9° | 104.2° |
| C9 | C10 | H9 | 107.9° | 110.0° |
| C10 | C9 | H11 | 111.1° | 110.5° |
| C10 | C9 | H12 | 111.1° | 110.5° |
| C10 | C12 | N2 | 112.2° | 110.0° |
| C10 | C12 | C11 | 102.4° | 106.6° |
| C10 | C12 | H8 | 109.1° | 110.0° |
| C12 | C10 | H9 | 108.1° | 110.0° |
| C19 | C15 | C14 | 133.1° | 130.5° |
| C15 | C19 | H4 | 124.4° | 122.5° |
| C15 | C14 | N3 | 118.2° | 119.0° |
| C15 | C14 | N2 | 124.2° | 120.5° |
| N3 | C14 | N2 | 117.6° | 120.5° |
| C14 | N2 | C13 | 118.0° | 111.0° |
| C14 | N2 | C12 | 121.1° | 111.0° |
| C13 | N2 | C12 | 120.3° | 111.0° |
| N2 | C13 | H5 | 109.5° | 109.5° |
| N2 | C13 | H6 | 109.5° | 109.4° |
| N2 | C13 | H7 | 109.5° | 109.5° |
| N2 | C12 | C11 | 113.6° | 110.1° |
| N2 | C12 | H8 | 110.0° | 110.0° |
| C9 | C8 | C11 | 102.3° | 102.8° |
| C9 | C8 | N1 | 113.7° | 110.8° |
| C8 | C9 | H11 | 111.1° | 110.4° |
| C8 | C9 | H12 | 111.1° | 110.5° |
| C9 | C8 | H15 | 109.0° | 110.7° |
| C12 | C11 | C8 | 100.9° | 104.2° |
| C11 | C12 | H8 | 109.2° | 110.1° |
| C12 | C11 | H13 | 111.6° | 110.5° |
| C12 | C11 | H14 | 111.6° | 110.5° |
| C11 | C8 | N1 | 112.9° | 110.8° |
| C8 | C11 | H13 | 111.6° | 110.5° |
| C8 | C11 | H14 | 111.6° | 110.5° |
| C11 | C8 | H15 | 108.9° | 110.7° |
| C8 | N1 | C7 | 112.0° | 111.0° |
| N1 | C8 | H15 | 109.8° | 110.8° |
| C8 | N1 | H16 | 108.8° | 111.0° |
| N1 | C7 | C6 | 106.3° | 109.5° |
| C7 | N1 | H16 | 108.9° | 111.1° |
| N1 | C7 | H18 | 110.3° | 109.5° |
| N1 | C7 | H19 | 110.3° | 109.4° |
| C7 | C6 | C3 | 117.3° | 119.9° |
| C7 | C6 | C5 | 123.0° | 119.9° |
| C6 | C7 | H18 | 110.3° | 109.5° |
| C6 | C7 | H19 | 110.3° | 109.5° |
| C3 | C6 | C5 | 119.7° | 120.2° |
| C6 | C3 | C2 | 119.2° | 120.1° |
| C6 | C3 | H20 | 120.4° | 119.9° |
| C6 | C5 | C4 | 120.9° | 120.1° |
| C6 | C5 | H22 | 119.6° | 119.9° |
| C3 | C2 | C1 | 121.5° | 119.9° |
| C2 | C3 | H20 | 120.4° | 120.0° |
| C3 | C2 | H21 | 119.3° | 120.1° |
| C5 | C4 | C1 | 118.6° | 119.9° |
| C4 | C5 | H22 | 119.5° | 119.9° |
| C5 | C4 | H23 | 120.7° | 120.0° |
| C2 | C1 | C4 | 120.0° | 119.7° |
| C2 | C1 | C23 | 117.9° | 120.1° |
| C1 | C2 | H21 | 119.2° | 120.0° |
| C4 | C1 | C23 | 121.7° | 120.1° |
| C1 | C4 | H23 | 120.7° | 120.1° |
| C1 | C23 | N6 | 112.8° | 120.1° |
| C1 | C23 | C25 | 124.4° | 120.1° |
| N6 | C23 | C25 | 122.2° | 119.8° |
| C23 | N6 | N5 | 119.5° | 122.3° |
| C23 | C25 | C26 | 117.8° | 117.9° |
| C23 | C25 | H24 | 121.1° | 121.1° |
| N6 | N5 | C22 | 121.2° | 122.3° |
| C25 | C26 | C22 | 117.2° | 117.9° |
| C25 | C26 | O3 | 124.4° | 121.1° |
| C26 | C25 | H24 | 121.1° | 121.0° |
| N5 | C22 | C26 | 121.9° | 119.9° |
| N5 | C22 | O2 | 117.5° | 120.0° |
| C22 | C26 | O3 | 118.4° | 121.1° |
| C26 | C22 | O2 | 120.6° | 120.1° |
| C26 | O3 | C27 | 116.5° | 117.0° |
| C22 | O2 | C24 | 116.8° | 117.0° |
| O3 | C27 | H25 | 109.5° | 109.5° |
| O3 | C27 | H26 | 109.5° | 109.5° |
| O3 | C27 | H27 | 109.5° | 109.5° |
| O2 | C24 | H28 | 109.5° | 109.5° |
| O2 | C24 | H29 | 109.5° | 109.5° |
| O2 | C24 | H30 | 109.4° | 109.5° |
| H1 | C20 | H2 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H7 | 109.4° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.4° |
| H11 | C9 | H12 | 109.5° | 110.5° |
| H13 | C11 | H14 | 109.4° | 110.6° |
| H18 | C7 | H19 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H25 | C27 | H27 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H28 | C24 | H29 | 109.5° | 109.4° |
| H28 | C24 | H30 | 109.5° | 109.4° |
| H29 | C24 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C21 | F2 | F3 | 118.6° | 120.0° |
| F1 | C21 | F2 | C20 | 123.8° | 120.0° |
| F1 | C21 | F3 | C20 | 121.9° | 120.0° |
| F1 | C21 | C20 | C18 | 73.8° | 60.0° |
| F1 | C21 | C20 | H1 | 46.3° | 60.0° |
| F1 | C21 | C20 | H2 | 166.3° | 180.0° |
| F2 | C21 | F3 | C20 | 117.2° | 119.9° |
| F2 | C21 | C20 | C18 | 47.2° | 180.0° |
| F2 | C21 | C20 | H1 | 167.2° | 60.1° |
| F2 | C21 | C20 | H2 | 72.8° | 60.0° |
| F3 | C21 | C20 | C18 | 170.0° | 60.0° |
| F3 | C21 | C20 | H1 | 70.0° | 180.0° |
| F3 | C21 | C20 | H2 | 50.0° | 59.9° |
| C21 | C20 | C18 | S1 | 82.7° | 89.7° |
| C21 | C20 | C18 | H1 | 120.0° | 120.0° |
| C21 | C20 | C18 | H2 | 120.0° | 120.0° |
| C21 | C20 | C18 | C19 | 97.3° | 89.9° |
| C21 | C20 | H1 | H2 | 120.0° | 120.0° |
| O1 | C10 | C9 | C12 | 120.3° | 119.3° |
| O1 | C10 | C9 | H9 | 123.3° | 121.4° |
| O1 | C10 | C12 | H9 | 118.1° | 121.4° |
| O1 | C10 | C12 | N2 | 18.4° | 0.0° |
| O1 | C10 | C9 | C8 | 128.3° | 142.9° |
| O1 | C10 | C12 | C11 | 103.8° | 119.3° |
| O1 | C10 | C12 | H8 | 140.6° | 121.4° |
| O1 | C10 | C9 | H11 | 9.3° | 24.3° |
| O1 | C10 | C9 | H12 | 112.8° | 98.4° |
| S1 | C17 | N4 | C15 | 179.2° | 179.9° |
| S1 | C17 | N4 | C16 | 179.5° | 180.0° |
| C17 | S1 | C18 | C20 | 180.0° | 180.0° |
| C17 | S1 | C18 | C19 | 0.1° | 0.3° |
| S1 | C17 | C15 | C19 | 0.5° | 0.2° |
| S1 | C17 | C15 | C14 | 179.8° | 180.0° |
| C18 | S1 | C17 | N4 | 179.1° | 180.0° |
| S1 | C18 | C20 | C19 | 180.0° | 179.6° |
| C18 | S1 | C17 | C15 | 0.2° | 0.0° |
| S1 | C18 | C19 | C15 | 0.4° | 0.5° |
| S1 | C18 | C20 | H1 | 37.3° | 150.3° |
| S1 | C18 | C20 | H2 | 157.3° | 30.3° |
| S1 | C18 | C19 | H4 | 179.6° | 179.7° |
| C17 | N4 | C16 | N3 | 0.0° | 0.0° |
| N4 | C17 | C15 | C19 | 178.8° | 179.7° |
| N4 | C17 | C15 | C14 | 0.9° | 0.0° |
| C17 | N4 | C16 | H3 | 180.0° | 179.9° |
| C16 | N4 | C17 | C15 | 0.3° | 0.0° |
| N4 | C16 | N3 | H3 | 180.0° | 179.9° |
| N4 | C16 | N3 | C14 | 0.3° | 0.0° |
| C20 | C18 | C19 | C15 | 179.7° | 179.8° |
| C18 | C20 | H1 | H2 | 120.0° | 120.0° |
| C20 | C18 | C19 | H4 | 0.3° | 0.0° |
| C17 | C15 | C19 | C18 | 0.5° | 0.5° |
| C17 | C15 | C19 | C14 | 179.7° | 179.7° |
| C17 | C15 | C14 | N3 | 1.2° | 0.0° |
| C17 | C15 | C14 | N2 | 179.0° | 180.0° |
| C17 | C15 | C19 | H4 | 179.5° | 179.7° |
| C18 | C19 | C15 | H4 | 180.0° | 179.7° |
| C18 | C19 | C15 | C14 | 179.8° | 179.8° |
| C19 | C18 | C20 | H1 | 142.7° | 30.0° |
| C19 | C18 | C20 | H2 | 22.7° | 150.1° |
| C16 | N3 | C14 | C15 | 0.9° | 0.0° |
| C16 | N3 | C14 | N2 | 179.2° | 180.0° |
| C9 | C10 | C12 | H9 | 116.4° | 119.3° |
| C9 | C10 | C12 | N2 | 143.9° | 119.3° |
| C10 | C9 | C8 | H11 | 118.9° | 118.7° |
| C10 | C9 | C8 | H12 | 118.9° | 118.7° |
| C9 | C10 | C12 | C11 | 21.8° | 0.0° |
| C10 | C9 | C8 | C11 | 34.4° | 37.9° |
| C10 | C9 | C8 | N1 | 156.4° | 156.3° |
| C9 | C10 | C12 | H8 | 93.9° | 119.3° |
| C9 | C10 | O1 | H10 | 180.0° | 61.4° |
| C10 | C9 | H11 | H12 | 123.0° | 122.7° |
| C10 | C9 | C8 | H15 | 80.8° | 80.4° |
| C10 | C12 | N2 | C14 | 101.9° | 62.8° |
| C10 | C12 | N2 | C13 | 86.7° | 173.2° |
| C10 | C12 | N2 | C11 | 115.5° | 117.2° |
| C10 | C12 | N2 | H8 | 121.7° | 121.4° |
| C12 | C10 | C9 | C8 | 8.0° | 23.6° |
| C10 | C12 | C11 | H8 | 115.6° | 119.3° |
| C10 | C12 | C11 | C8 | 42.7° | 23.6° |
| C12 | C10 | O1 | H10 | 59.5° | 178.6° |
| C12 | C10 | C9 | H11 | 110.9° | 95.1° |
| C12 | C10 | C9 | H12 | 126.9° | 142.3° |
| C10 | C12 | C11 | H13 | 161.3° | 142.3° |
| C10 | C12 | C11 | H14 | 75.9° | 95.1° |
| C19 | C15 | C14 | N3 | 178.5° | 179.7° |
| C19 | C15 | C14 | N2 | 1.4° | 0.4° |
| C15 | C14 | N3 | N2 | 179.9° | 180.0° |
| C15 | C14 | N2 | C13 | 12.5° | 108.1° |
| C15 | C14 | N2 | C12 | 159.1° | 128.0° |
| C14 | C15 | C19 | H4 | 0.2° | 0.0° |
| N3 | C14 | N2 | C13 | 167.4° | 72.0° |
| N3 | C14 | N2 | C12 | 21.0° | 52.0° |
| C14 | N3 | C16 | H3 | 179.7° | 180.0° |
| C14 | N2 | C13 | C12 | 171.7° | 124.0° |
| C14 | N2 | C12 | C11 | 142.6° | 180.0° |
| C14 | N2 | C13 | H5 | 180.0° | 52.8° |
| C14 | N2 | C13 | H6 | 60.0° | 172.8° |
| C14 | N2 | C13 | H7 | 60.0° | 67.2° |
| C14 | N2 | C12 | H8 | 19.7° | 58.5° |
| C13 | N2 | C12 | C11 | 28.8° | 56.0° |
| N2 | C13 | H5 | H6 | 120.0° | 120.0° |
| N2 | C13 | H5 | H7 | 120.0° | 120.0° |
| N2 | C13 | H6 | H7 | 120.0° | 120.0° |
| C13 | N2 | C12 | H8 | 151.7° | 65.4° |
| N2 | C12 | C11 | H8 | 123.3° | 121.4° |
| N2 | C12 | C11 | C8 | 163.8° | 142.9° |
| C12 | N2 | C13 | H5 | 8.4° | 176.8° |
| C12 | N2 | C13 | H6 | 111.7° | 63.2° |
| C12 | N2 | C13 | H7 | 128.4° | 56.7° |
| N2 | C12 | C10 | H9 | 99.7° | 121.4° |
| N2 | C12 | C11 | H13 | 77.5° | 98.5° |
| N2 | C12 | C11 | H14 | 45.2° | 24.2° |
| C9 | C8 | C11 | C12 | 48.6° | 37.9° |
| C9 | C8 | C11 | N1 | 122.5° | 118.3° |
| C9 | C8 | C11 | H15 | 115.2° | 118.3° |
| C9 | C8 | N1 | H15 | 122.3° | 123.3° |
| C9 | C8 | N1 | C7 | 163.1° | 86.4° |
| C8 | C9 | C10 | H9 | 108.5° | 95.7° |
| C8 | C9 | H11 | H12 | 123.0° | 122.6° |
| C9 | C8 | C11 | H13 | 167.2° | 156.6° |
| C9 | C8 | C11 | H14 | 70.0° | 80.7° |
| C9 | C8 | N1 | H16 | 76.5° | 149.6° |
| C12 | C11 | C8 | H13 | 118.6° | 118.7° |
| C12 | C11 | C8 | H14 | 118.6° | 118.6° |
| C12 | C11 | C8 | N1 | 171.1° | 156.3° |
| C11 | C12 | C10 | H9 | 138.1° | 119.3° |
| C12 | C11 | H13 | H14 | 124.0° | 122.6° |
| C12 | C11 | C8 | H15 | 66.6° | 80.4° |
| C11 | C8 | N1 | H15 | 121.7° | 123.3° |
| C11 | C8 | N1 | C7 | 81.0° | 160.3° |
| C8 | C11 | C12 | H8 | 72.9° | 95.7° |
| C11 | C8 | C9 | H11 | 84.6° | 80.8° |
| C11 | C8 | C9 | H12 | 153.3° | 156.6° |
| C8 | C11 | H13 | H14 | 124.0° | 122.6° |
| C11 | C8 | N1 | H16 | 39.4° | 36.2° |
| C8 | N1 | C7 | H16 | 120.4° | 124.0° |
| C8 | N1 | C7 | C6 | 158.7° | 180.0° |
| N1 | C8 | C9 | H11 | 37.5° | 37.6° |
| N1 | C8 | C9 | H12 | 84.7° | 85.0° |
| N1 | C8 | C11 | H13 | 70.2° | 85.1° |
| N1 | C8 | C11 | H14 | 52.5° | 37.6° |
| C8 | N1 | C7 | H18 | 39.2° | 60.0° |
| C8 | N1 | C7 | H19 | 81.8° | 60.0° |
| N1 | C7 | C6 | H18 | 119.5° | 120.0° |
| N1 | C7 | C6 | H19 | 119.5° | 119.9° |
| N1 | C7 | C6 | C3 | 75.2° | 90.1° |
| N1 | C7 | C6 | C5 | 103.0° | 90.2° |
| C7 | N1 | C8 | H15 | 40.8° | 36.9° |
| N1 | C7 | H18 | H19 | 121.5° | 120.0° |
| C7 | C6 | C3 | C5 | 178.3° | 179.7° |
| C7 | C6 | C3 | C2 | 178.8° | 180.0° |
| C7 | C6 | C5 | C4 | 178.8° | 179.9° |
| C6 | C7 | N1 | H16 | 80.9° | 56.0° |
| C6 | C7 | H18 | H19 | 121.5° | 120.0° |
| C7 | C6 | C3 | H20 | 1.2° | 0.1° |
| C7 | C6 | C5 | H22 | 1.2° | 0.0° |
| C6 | C3 | C2 | H20 | 180.0° | 179.9° |
| C3 | C6 | C5 | C4 | 0.6° | 0.2° |
| C6 | C3 | C2 | C1 | 1.5° | 0.1° |
| C3 | C6 | C7 | H18 | 165.3° | 30.0° |
| C3 | C6 | C7 | H19 | 44.3° | 150.0° |
| C6 | C3 | C2 | H21 | 178.5° | 179.9° |
| C3 | C6 | C5 | H22 | 179.4° | 179.7° |
| C5 | C6 | C3 | C2 | 0.5° | 0.3° |
| C6 | C5 | C4 | H22 | 180.0° | 179.9° |
| C6 | C5 | C4 | C1 | 1.3° | 0.0° |
| C5 | C6 | C7 | H18 | 16.5° | 149.7° |
| C5 | C6 | C7 | H19 | 137.5° | 29.7° |
| C5 | C6 | C3 | H20 | 179.5° | 179.8° |
| C6 | C5 | C4 | H23 | 178.7° | 180.0° |
| C3 | C2 | C1 | H21 | 180.0° | 180.0° |
| C3 | C2 | C1 | C4 | 3.4° | 0.2° |
| C3 | C2 | C1 | C23 | 175.9° | 180.0° |
| C5 | C4 | C1 | C2 | 3.3° | 0.3° |
| C5 | C4 | C1 | H23 | 180.0° | 180.0° |
| C5 | C4 | C1 | C23 | 175.5° | 179.9° |
| C2 | C1 | C4 | C23 | 172.2° | 179.8° |
| C2 | C1 | C23 | N6 | 159.7° | 0.0° |
| C2 | C1 | C23 | C25 | 11.8° | 179.7° |
| C1 | C2 | C3 | H20 | 178.5° | 180.0° |
| C2 | C1 | C4 | H23 | 176.7° | 179.7° |
| C4 | C1 | C23 | N6 | 12.7° | 179.8° |
| C4 | C1 | C23 | C25 | 175.8° | 0.5° |
| C4 | C1 | C2 | H21 | 176.6° | 179.8° |
| C1 | C4 | C5 | H22 | 178.7° | 180.0° |
| C1 | C23 | N6 | C25 | 171.7° | 179.7° |
| C1 | C23 | N6 | N5 | 176.8° | 180.0° |
| C1 | C23 | C25 | C26 | 175.8° | 180.0° |
| C23 | C1 | C2 | H21 | 4.1° | 0.0° |
| C23 | C1 | C4 | H23 | 4.5° | 0.1° |
| C1 | C23 | C25 | H24 | 4.2° | 0.0° |
| N6 | C23 | C25 | C26 | 5.0° | 0.3° |
| C23 | N6 | N5 | C22 | 2.7° | 0.0° |
| N6 | C23 | C25 | H24 | 175.0° | 179.8° |
| C25 | C23 | N6 | N5 | 5.1° | 0.3° |
| C23 | C25 | C26 | H24 | 180.0° | 179.9° |
| C23 | C25 | C26 | C22 | 2.6° | 0.0° |
| C23 | C25 | C26 | O3 | 176.9° | 180.0° |
| N6 | N5 | C22 | C26 | 0.4° | 0.3° |
| N6 | N5 | C22 | O2 | 179.6° | 179.9° |
| C25 | C26 | C22 | N5 | 0.4° | 0.3° |
| C25 | C26 | C22 | O3 | 179.5° | 179.9° |
| C25 | C26 | C22 | O2 | 179.6° | 180.0° |
| C25 | C26 | O3 | C27 | 1.1° | 0.0° |
| N5 | C22 | C26 | O2 | 179.9° | 179.8° |
| N5 | C22 | C26 | O3 | 179.1° | 179.7° |
| N5 | C22 | O2 | C24 | 0.4° | 0.2° |
| C22 | C26 | O3 | C27 | 179.4° | 180.0° |
| C26 | C22 | O2 | C24 | 179.5° | 180.0° |
| C22 | C26 | C25 | H24 | 177.4° | 180.0° |
| O3 | C26 | C22 | O2 | 0.9° | 0.1° |
| O3 | C26 | C25 | H24 | 3.1° | 0.1° |
| C26 | O3 | C27 | H25 | 180.0° | 60.0° |
| C26 | O3 | C27 | H26 | 60.0° | 180.0° |
| C26 | O3 | C27 | H27 | 60.0° | 60.0° |
| C22 | O2 | C24 | H28 | 180.0° | 60.0° |
| C22 | O2 | C24 | H29 | 60.0° | 180.0° |
| C22 | O2 | C24 | H30 | 60.0° | 60.0° |
| O3 | C27 | H25 | H26 | 120.0° | 120.0° |
| O3 | C27 | H25 | H27 | 120.0° | 120.0° |
| O3 | C27 | H26 | H27 | 120.0° | 120.0° |
| O2 | C24 | H28 | H29 | 120.0° | 120.0° |
| O2 | C24 | H28 | H30 | 120.0° | 120.1° |
| O2 | C24 | H29 | H30 | 120.0° | 120.1° |
| H5 | C13 | H6 | H7 | 119.9° | 120.0° |
| H8 | C12 | C10 | H9 | 22.5° | 0.1° |
| H8 | C12 | C11 | H13 | 45.7° | 22.9° |
| H8 | C12 | C11 | H14 | 168.5° | 145.6° |
| H9 | C10 | O1 | H10 | 57.6° | 60.0° |
| H9 | C10 | C9 | H11 | 132.6° | 145.7° |
| H9 | C10 | C9 | H12 | 10.4° | 23.0° |
| H11 | C9 | C8 | H15 | 160.3° | 160.9° |
| H12 | C9 | C8 | H15 | 38.1° | 38.4° |
| H13 | C11 | C8 | H15 | 52.0° | 38.3° |
| H14 | C11 | C8 | H15 | 174.8° | 161.0° |
| H15 | C8 | N1 | H16 | 161.2° | 87.1° |
| H16 | N1 | C7 | H18 | 159.6° | 176.1° |
| H16 | N1 | C7 | H19 | 38.6° | 63.9° |
| H20 | C3 | C2 | H21 | 1.5° | 0.0° |
| H22 | C5 | C4 | H23 | 1.3° | 0.0° |
| H25 | C27 | H26 | H27 | 120.0° | 120.0° |
| H28 | C24 | H29 | H30 | 120.0° | 119.9° |
