931
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C7 | sing | 1.35Å | 1.34Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | N1 | sing | 1.48Å | 1.46Å | |
| C1 | C80 | sing | 1.55Å | 1.53Å | |
| N1 | C28 | sing | 1.47Å | 1.47Å | |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C28 | sing | 1.51Å | 1.52Å | |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | N2 | sing | 1.40Å | 1.43Å | |
| N2 | C25 | sing | 1.35Å | 1.35Å | |
| N2 | C12 | sing | 1.47Å | 1.47Å | |
| C25 | O3 | doub | 1.21Å | 1.23Å | |
| C25 | C14 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C14 | N3 | sing | 1.46Å | 1.45Å | |
| N3 | S1 | sing | 1.66Å | 1.60Å | |
| S1 | O1 | doub | 1.42Å | 1.42Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| S1 | C15 | sing | 1.76Å | 1.78Å | |
| C70 | C80 | sing | 1.55Å | 1.52Å | |
| C70 | C28 | sing | 1.54Å | 1.53Å | |
| C15 | C24 | sing | 1.36Å | 1.37Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.41Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C18 | C23 | sing | 1.42Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.36Å | 1.37Å | Aromatic |
| C20 | CL1 | sing | 1.74Å | 1.74Å | |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.41Å | 1.42Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.37Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C80 | H801 | sing | 1.09Å | 1.10Å | |
| C80 | H802 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C70 | H701 | sing | 1.09Å | 1.10Å | |
| C70 | H702 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C7 | C6 | 117.3° | 120.1° |
| F1 | C7 | C8 | 119.8° | 120.1° |
| C6 | C7 | C8 | 122.9° | 119.9° |
| C7 | C6 | C11 | 119.3° | 120.1° |
| C7 | C6 | H6 | 120.4° | 119.9° |
| C7 | C8 | C9 | 117.7° | 119.8° |
| C7 | C8 | N2 | 119.5° | 120.1° |
| C6 | C11 | C10 | 118.8° | 120.2° |
| C6 | C11 | C28 | 121.0° | 119.9° |
| C11 | C6 | H6 | 120.3° | 120.0° |
| N1 | C1 | C80 | 108.6° | 104.8° |
| C1 | N1 | C28 | 109.6° | 108.6° |
| N1 | C1 | H11C | 109.8° | 110.4° |
| N1 | C1 | H12C | 110.0° | 110.4° |
| C1 | N1 | H1 | 109.4° | 111.0° |
| C1 | C80 | C70 | 106.2° | 101.7° |
| C80 | C1 | H11C | 109.7° | 110.4° |
| C80 | C1 | H12C | 109.9° | 110.3° |
| C1 | C80 | H801 | 110.6° | 111.0° |
| C1 | C80 | H802 | 111.3° | 111.0° |
| N1 | C28 | C11 | 111.6° | 109.9° |
| N1 | C28 | C70 | 107.9° | 107.3° |
| C28 | N1 | H1 | 109.4° | 111.0° |
| N1 | C28 | H28 | 111.2° | 109.9° |
| C10 | C11 | C28 | 120.2° | 119.9° |
| C11 | C10 | C9 | 121.3° | 120.1° |
| C11 | C10 | H10 | 119.3° | 119.9° |
| C11 | C28 | C70 | 114.9° | 109.9° |
| C11 | C28 | H28 | 103.6° | 109.9° |
| C10 | C9 | C8 | 120.1° | 120.0° |
| C9 | C10 | H10 | 119.3° | 119.9° |
| C10 | C9 | H9 | 119.9° | 120.0° |
| C9 | C8 | N2 | 122.8° | 120.1° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C8 | N2 | C25 | 123.5° | 124.3° |
| C8 | N2 | C12 | 124.3° | 124.4° |
| C25 | N2 | C12 | 112.1° | 111.3° |
| N2 | C25 | O3 | 125.4° | 124.9° |
| N2 | C25 | C14 | 109.0° | 110.1° |
| N2 | C12 | C13 | 104.4° | 105.5° |
| N2 | C12 | H121 | 111.2° | 110.2° |
| N2 | C12 | H122 | 112.3° | 110.2° |
| O3 | C25 | C14 | 125.5° | 125.0° |
| C25 | C14 | C13 | 103.9° | 104.2° |
| C25 | C14 | N3 | 113.5° | 110.5° |
| C25 | C14 | H14 | 111.9° | 110.4° |
| C12 | C13 | C14 | 104.6° | 101.7° |
| C13 | C12 | H121 | 111.2° | 110.3° |
| C13 | C12 | H122 | 112.3° | 110.3° |
| C12 | C13 | H131 | 111.2° | 111.0° |
| C12 | C13 | H132 | 112.2° | 111.0° |
| C13 | C14 | N3 | 113.1° | 110.4° |
| C13 | C14 | H14 | 112.3° | 110.6° |
| C14 | C13 | H131 | 111.1° | 110.9° |
| C14 | C13 | H132 | 112.2° | 111.1° |
| C14 | N3 | S1 | 121.2° | 120.0° |
| N3 | C14 | H14 | 102.4° | 110.5° |
| C14 | N3 | H3 | 105.8° | 120.0° |
| N3 | S1 | O1 | 110.1° | 106.4° |
| N3 | S1 | O2 | 100.5° | 106.4° |
| N3 | S1 | C15 | 108.8° | 107.2° |
| S1 | N3 | H3 | 105.7° | 120.0° |
| O1 | S1 | O2 | 119.9° | 123.1° |
| O1 | S1 | C15 | 108.1° | 106.4° |
| O2 | S1 | C15 | 108.8° | 106.4° |
| S1 | C15 | C24 | 120.1° | 119.5° |
| S1 | C15 | C16 | 118.6° | 119.5° |
| C80 | C70 | C28 | 106.3° | 103.0° |
| C70 | C80 | H801 | 110.6° | 111.0° |
| C70 | C80 | H802 | 111.3° | 111.0° |
| C80 | C70 | H701 | 110.6° | 110.7° |
| C80 | C70 | H702 | 111.3° | 110.8° |
| C70 | C28 | H28 | 107.6° | 110.0° |
| C28 | C70 | H701 | 110.5° | 110.7° |
| C28 | C70 | H702 | 111.3° | 110.7° |
| C24 | C15 | C16 | 121.3° | 121.0° |
| C15 | C24 | C23 | 120.3° | 119.6° |
| C15 | C24 | H24 | 119.8° | 120.2° |
| C15 | C16 | C17 | 119.8° | 120.9° |
| C15 | C16 | H16 | 120.1° | 119.5° |
| C24 | C23 | C18 | 118.2° | 119.4° |
| C24 | C23 | C22 | 122.0° | 121.2° |
| C23 | C24 | H24 | 119.8° | 120.2° |
| C16 | C17 | C18 | 120.1° | 119.7° |
| C17 | C16 | H16 | 120.1° | 119.6° |
| C16 | C17 | H17 | 120.0° | 120.1° |
| C17 | C18 | C19 | 120.9° | 121.3° |
| C17 | C18 | C23 | 120.4° | 119.3° |
| C18 | C17 | H17 | 119.9° | 120.2° |
| C19 | C18 | C23 | 118.8° | 119.4° |
| C18 | C19 | C20 | 119.6° | 119.6° |
| C18 | C19 | H19 | 120.2° | 120.1° |
| C18 | C23 | C22 | 119.8° | 119.4° |
| C19 | C20 | CL1 | 117.6° | 119.5° |
| C19 | C20 | C21 | 122.5° | 121.0° |
| C20 | C19 | H19 | 120.2° | 120.2° |
| CL1 | C20 | C21 | 119.9° | 119.5° |
| C20 | C21 | C22 | 119.0° | 121.0° |
| C20 | C21 | H21 | 120.5° | 119.5° |
| C23 | C22 | C21 | 120.3° | 119.6° |
| C23 | C22 | H22 | 119.9° | 120.2° |
| C22 | C21 | H21 | 120.5° | 119.5° |
| C21 | C22 | H22 | 119.8° | 120.2° |
| H11C | C1 | H12C | 108.8° | 110.4° |
| H801 | C80 | H802 | 107.0° | 110.9° |
| H121 | C12 | H122 | 105.6° | 110.3° |
| H131 | C13 | H132 | 105.7° | 110.9° |
| H701 | C70 | H702 | 107.0° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C7 | C6 | C8 | 179.4° | 179.7° |
| F1 | C7 | C6 | C11 | 179.5° | 180.0° |
| F1 | C7 | C8 | C9 | 179.9° | 179.7° |
| F1 | C7 | C8 | N2 | 0.4° | 0.1° |
| F1 | C7 | C6 | H6 | 0.4° | 0.1° |
| C7 | C6 | C11 | H6 | 180.0° | 179.9° |
| C7 | C6 | C11 | C10 | 0.4° | 0.0° |
| C7 | C6 | C11 | C28 | 179.9° | 179.9° |
| C6 | C7 | C8 | C9 | 0.6° | 0.7° |
| C6 | C7 | C8 | N2 | 179.8° | 179.7° |
| C8 | C7 | C6 | C11 | 0.1° | 0.3° |
| C7 | C8 | C9 | C10 | 0.7° | 0.6° |
| C7 | C8 | C9 | N2 | 179.5° | 179.6° |
| C7 | C8 | N2 | C25 | 129.7° | 90.0° |
| C7 | C8 | N2 | C12 | 47.7° | 89.6° |
| C8 | C7 | C6 | H6 | 179.9° | 179.7° |
| C7 | C8 | C9 | H9 | 179.3° | 179.6° |
| C6 | C11 | C28 | N1 | 68.0° | 141.5° |
| C6 | C11 | C10 | C28 | 179.8° | 180.0° |
| C6 | C11 | C10 | C9 | 0.3° | 0.0° |
| C6 | C11 | C28 | C70 | 55.2° | 100.8° |
| C6 | C11 | C28 | H28 | 172.3° | 20.4° |
| C6 | C11 | C10 | H10 | 179.7° | 180.0° |
| N1 | C1 | C80 | H11C | 120.0° | 118.8° |
| N1 | C1 | C80 | H12C | 120.4° | 118.8° |
| C1 | N1 | C28 | H1 | 120.0° | 122.3° |
| C1 | N1 | C28 | C11 | 133.0° | 118.4° |
| N1 | C1 | C80 | C70 | 8.6° | 37.1° |
| C1 | N1 | C28 | C70 | 5.9° | 1.0° |
| N1 | C1 | H11C | H12C | 120.4° | 122.3° |
| N1 | C1 | C80 | H801 | 128.6° | 155.2° |
| N1 | C1 | C80 | H802 | 112.6° | 81.0° |
| C1 | N1 | C28 | H28 | 111.9° | 120.5° |
| C80 | C1 | N1 | C28 | 1.7° | 24.1° |
| C1 | C80 | C70 | H801 | 120.0° | 118.1° |
| C1 | C80 | C70 | H802 | 121.2° | 118.1° |
| C1 | C80 | C70 | C28 | 11.9° | 35.7° |
| C80 | C1 | H11C | H12C | 120.3° | 122.3° |
| C80 | C1 | N1 | H1 | 118.3° | 98.1° |
| C1 | C80 | H801 | H802 | 121.3° | 123.9° |
| C1 | C80 | C70 | H701 | 108.1° | 82.7° |
| C1 | C80 | C70 | H702 | 133.1° | 154.0° |
| N1 | C28 | C11 | C10 | 112.3° | 38.5° |
| N1 | C28 | C11 | C70 | 123.2° | 117.8° |
| N1 | C28 | C11 | H28 | 119.7° | 121.1° |
| N1 | C28 | C70 | C80 | 11.1° | 22.3° |
| N1 | C28 | C70 | H28 | 120.1° | 119.5° |
| C28 | N1 | C1 | H11C | 118.2° | 94.7° |
| C28 | N1 | C1 | H12C | 122.1° | 142.9° |
| N1 | C28 | C70 | H701 | 108.9° | 96.1° |
| N1 | C28 | C70 | H702 | 132.3° | 140.7° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.2° | 0.3° |
| C10 | C11 | C28 | C70 | 124.5° | 79.3° |
| C10 | C11 | C6 | H6 | 179.6° | 179.9° |
| C10 | C11 | C28 | H28 | 7.4° | 159.6° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| C28 | C11 | C10 | C9 | 179.9° | 180.0° |
| C11 | C28 | C70 | C80 | 136.3° | 141.7° |
| C11 | C28 | C70 | H28 | 114.7° | 121.1° |
| C28 | C11 | C6 | H6 | 0.1° | 0.0° |
| C11 | C28 | N1 | H1 | 107.0° | 119.3° |
| C28 | C11 | C10 | H10 | 0.1° | 0.0° |
| C11 | C28 | C70 | H701 | 16.3° | 23.3° |
| C11 | C28 | C70 | H702 | 102.5° | 99.9° |
| C10 | C9 | C8 | H9 | 180.0° | 179.7° |
| C10 | C9 | C8 | N2 | 179.8° | 179.7° |
| C9 | C8 | N2 | C25 | 49.8° | 90.3° |
| C9 | C8 | N2 | C12 | 132.7° | 90.0° |
| C8 | C9 | C10 | H10 | 179.8° | 179.7° |
| C8 | N2 | C25 | C12 | 177.8° | 179.7° |
| C8 | N2 | C25 | O3 | 2.8° | 0.5° |
| C8 | N2 | C25 | C14 | 178.1° | 179.6° |
| C8 | N2 | C12 | C13 | 164.1° | 163.0° |
| N2 | C8 | C9 | H9 | 0.2° | 0.0° |
| C8 | N2 | C12 | H121 | 44.1° | 78.0° |
| C8 | N2 | C12 | H122 | 74.0° | 44.0° |
| N2 | C25 | O3 | C14 | 178.9° | 179.9° |
| C25 | N2 | C12 | C13 | 18.2° | 17.3° |
| N2 | C25 | C14 | C13 | 11.6° | 16.1° |
| N2 | C25 | C14 | N3 | 134.9° | 102.5° |
| C25 | N2 | C12 | H121 | 138.2° | 101.7° |
| C25 | N2 | C12 | H122 | 103.7° | 136.3° |
| N2 | C25 | C14 | H14 | 109.8° | 134.9° |
| C12 | N2 | C25 | O3 | 174.9° | 179.3° |
| C12 | N2 | C25 | C14 | 4.1° | 0.7° |
| N2 | C12 | C13 | H121 | 120.0° | 119.0° |
| N2 | C12 | C13 | H122 | 121.9° | 118.9° |
| N2 | C12 | C13 | C14 | 24.3° | 25.6° |
| N2 | C12 | H121 | H122 | 122.1° | 121.9° |
| N2 | C12 | C13 | H131 | 95.7° | 143.6° |
| N2 | C12 | C13 | H132 | 146.1° | 92.7° |
| O3 | C25 | C14 | C13 | 169.3° | 164.0° |
| O3 | C25 | C14 | N3 | 46.0° | 77.5° |
| O3 | C25 | C14 | H14 | 69.3° | 45.1° |
| C25 | C14 | C13 | C12 | 21.8° | 24.8° |
| C25 | C14 | C13 | N3 | 123.6° | 118.6° |
| C25 | C14 | C13 | H14 | 121.1° | 118.7° |
| C25 | C14 | N3 | H14 | 120.8° | 122.5° |
| C25 | C14 | N3 | S1 | 112.6° | 96.4° |
| C25 | C14 | C13 | H131 | 98.2° | 142.9° |
| C25 | C14 | C13 | H132 | 143.7° | 93.4° |
| C25 | C14 | N3 | H3 | 7.4° | 83.6° |
| C12 | C13 | C14 | H131 | 120.0° | 118.0° |
| C12 | C13 | C14 | H132 | 121.8° | 118.2° |
| C12 | C13 | C14 | N3 | 145.4° | 93.8° |
| C13 | C12 | H121 | H122 | 122.1° | 122.0° |
| C12 | C13 | C14 | H14 | 99.3° | 143.5° |
| C12 | C13 | H131 | H132 | 122.0° | 123.8° |
| C13 | C14 | N3 | H14 | 121.1° | 122.7° |
| C13 | C14 | N3 | S1 | 129.3° | 148.9° |
| C14 | C13 | C12 | H121 | 144.3° | 93.4° |
| C14 | C13 | C12 | H122 | 97.7° | 144.5° |
| C14 | C13 | H131 | H132 | 122.0° | 123.9° |
| C13 | C14 | N3 | H3 | 110.7° | 31.2° |
| C14 | N3 | S1 | H3 | 120.0° | 180.0° |
| C14 | N3 | S1 | O1 | 58.8° | 48.6° |
| C14 | N3 | S1 | O2 | 173.7° | 178.6° |
| C14 | N3 | S1 | C15 | 59.5° | 65.0° |
| N3 | C14 | C13 | H131 | 25.3° | 24.2° |
| N3 | C14 | C13 | H132 | 92.8° | 148.0° |
| N3 | S1 | O1 | O2 | 115.7° | 122.9° |
| N3 | S1 | O1 | C15 | 118.8° | 114.1° |
| N3 | S1 | O2 | C15 | 114.2° | 114.1° |
| N3 | S1 | C15 | C24 | 107.8° | 90.0° |
| N3 | S1 | C15 | C16 | 71.7° | 90.2° |
| S1 | N3 | C14 | H14 | 8.2° | 26.1° |
| O1 | S1 | O2 | C15 | 125.2° | 123.0° |
| O1 | S1 | C15 | C24 | 11.8° | 156.5° |
| O1 | S1 | C15 | C16 | 168.7° | 23.3° |
| O1 | S1 | N3 | H3 | 178.8° | 131.5° |
| O2 | S1 | C15 | C24 | 143.6° | 23.6° |
| O2 | S1 | C15 | C16 | 36.9° | 156.2° |
| O2 | S1 | N3 | H3 | 53.7° | 1.4° |
| S1 | C15 | C24 | C16 | 179.5° | 179.8° |
| S1 | C15 | C24 | C23 | 179.9° | 180.0° |
| S1 | C15 | C16 | C17 | 180.0° | 180.0° |
| C15 | S1 | N3 | H3 | 60.5° | 115.0° |
| S1 | C15 | C24 | H24 | 0.1° | 0.0° |
| S1 | C15 | C16 | H16 | 0.0° | 0.0° |
| C80 | C70 | C28 | H701 | 120.0° | 118.3° |
| C80 | C70 | C28 | H702 | 121.3° | 118.4° |
| C70 | C80 | C1 | H11C | 111.4° | 81.7° |
| C70 | C80 | C1 | H12C | 129.0° | 155.9° |
| C70 | C80 | H801 | H802 | 121.3° | 123.8° |
| C80 | C70 | C28 | H28 | 109.0° | 97.2° |
| C80 | C70 | H701 | H702 | 121.3° | 123.3° |
| C70 | C28 | N1 | H1 | 125.9° | 121.3° |
| C28 | C70 | C80 | H801 | 131.9° | 153.8° |
| C28 | C70 | C80 | H802 | 109.4° | 82.5° |
| C28 | C70 | H701 | H702 | 121.3° | 123.2° |
| C15 | C24 | C23 | H24 | 180.0° | 180.0° |
| C24 | C15 | C16 | C17 | 0.4° | 0.2° |
| C15 | C24 | C23 | C18 | 0.6° | 0.0° |
| C15 | C24 | C23 | C22 | 179.1° | 179.9° |
| C24 | C15 | C16 | H16 | 179.6° | 179.8° |
| C16 | C15 | C24 | C23 | 0.6° | 0.2° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C16 | C15 | C24 | H24 | 179.4° | 179.7° |
| C15 | C16 | C17 | H17 | 179.7° | 180.0° |
| C24 | C23 | C18 | C17 | 0.5° | 0.2° |
| C24 | C23 | C18 | C19 | 179.6° | 180.0° |
| C24 | C23 | C18 | C22 | 179.7° | 179.9° |
| C24 | C23 | C22 | C21 | 179.7° | 179.5° |
| C24 | C23 | C22 | H22 | 0.3° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 179.7° | 180.0° |
| C16 | C17 | C18 | C23 | 0.3° | 0.2° |
| C17 | C18 | C19 | C23 | 180.0° | 179.8° |
| C17 | C18 | C19 | C20 | 179.3° | 180.0° |
| C17 | C18 | C23 | C22 | 179.3° | 179.7° |
| C18 | C17 | C16 | H16 | 179.7° | 180.0° |
| C17 | C18 | C19 | H19 | 0.7° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | CL1 | 179.6° | 180.0° |
| C18 | C19 | C20 | C21 | 0.5° | 0.0° |
| C19 | C18 | C23 | C22 | 0.7° | 0.1° |
| C19 | C18 | C17 | H17 | 0.3° | 0.0° |
| C23 | C18 | C19 | C20 | 0.6° | 0.2° |
| C18 | C23 | C22 | C21 | 0.6° | 0.6° |
| C18 | C23 | C24 | H24 | 179.4° | 179.9° |
| C23 | C18 | C17 | H17 | 179.7° | 179.8° |
| C23 | C18 | C19 | H19 | 179.3° | 179.8° |
| C18 | C23 | C22 | H22 | 179.4° | 179.9° |
| C19 | C20 | CL1 | C21 | 179.1° | 180.0° |
| C19 | C20 | C21 | C22 | 0.4° | 0.5° |
| C19 | C20 | C21 | H21 | 179.6° | 180.0° |
| CL1 | C20 | C21 | C22 | 179.5° | 179.5° |
| CL1 | C20 | C19 | H19 | 0.3° | 0.1° |
| CL1 | C20 | C21 | H21 | 0.5° | 0.0° |
| C20 | C21 | C22 | C23 | 0.4° | 0.8° |
| C20 | C21 | C22 | H21 | 180.0° | 179.5° |
| C21 | C20 | C19 | H19 | 179.5° | 180.0° |
| C20 | C21 | C22 | H22 | 179.6° | 179.7° |
| C23 | C22 | C21 | H22 | 180.0° | 179.5° |
| C22 | C23 | C24 | H24 | 0.9° | 0.0° |
| C23 | C22 | C21 | H21 | 179.6° | 179.7° |
| H11C | C1 | N1 | H1 | 121.7° | 143.0° |
| H11C | C1 | C80 | H801 | 8.6° | 36.3° |
| H11C | C1 | C80 | H802 | 127.4° | 160.2° |
| H12C | C1 | N1 | H1 | 2.0° | 20.7° |
| H12C | C1 | C80 | H801 | 111.0° | 86.0° |
| H12C | C1 | C80 | H802 | 7.7° | 37.8° |
| H1 | N1 | C28 | H28 | 8.1° | 1.7° |
| H801 | C80 | C70 | H701 | 11.9° | 35.4° |
| H801 | C80 | C70 | H702 | 106.9° | 87.9° |
| H802 | C80 | C70 | H701 | 130.6° | 159.2° |
| H802 | C80 | C70 | H702 | 11.9° | 35.9° |
| H28 | C28 | C70 | H701 | 131.0° | 144.4° |
| H28 | C28 | C70 | H702 | 12.3° | 21.2° |
| H10 | C10 | C9 | H9 | 0.2° | 0.0° |
| H121 | C12 | C13 | H131 | 24.3° | 24.6° |
| H121 | C12 | C13 | H132 | 93.9° | 148.3° |
| H122 | C12 | C13 | H131 | 142.3° | 97.5° |
| H122 | C12 | C13 | H132 | 24.2° | 26.3° |
| H14 | C14 | C13 | H131 | 140.7° | 98.5° |
| H14 | C14 | C13 | H132 | 22.5° | 25.3° |
| H14 | C14 | N3 | H3 | 128.2° | 153.9° |
| H16 | C16 | C17 | H17 | 0.3° | 0.0° |
| H21 | C21 | C22 | H22 | 0.4° | 0.3° |
