KU5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C25 | sing | 1.74Å | 1.73Å | |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | S2 | sing | 1.76Å | 1.77Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| S2 | C19 | sing | 1.81Å | 1.82Å | |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| O4 | C18 | doub | 1.21Å | 1.23Å | |
| C18 | N4 | sing | 1.35Å | 1.34Å | |
| C6 | N3 | sing | 1.47Å | 1.45Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| N3 | C5 | sing | 1.35Å | 1.33Å | |
| O6 | S1 | doub | 1.42Å | 1.43Å | |
| C7 | S1 | sing | 1.81Å | 1.78Å | |
| N4 | C17 | sing | 1.47Å | 1.47Å | |
| N4 | C14 | sing | 1.47Å | 1.48Å | |
| C5 | O3 | doub | 1.22Å | 1.23Å | |
| C5 | C2 | sing | 1.48Å | 1.51Å | |
| S1 | O5 | doub | 1.42Å | 1.43Å | |
| S1 | C8 | sing | 1.76Å | 1.77Å | |
| N2 | C2 | sing | 1.35Å | 1.34Å | |
| N2 | C1 | doub | 1.30Å | 1.34Å | |
| C17 | C16 | sing | 1.55Å | 1.52Å | |
| C14 | C1 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | sing | 1.54Å | 1.54Å | |
| C2 | C3 | doub | 1.39Å | 1.36Å | |
| C1 | N1 | sing | 1.35Å | 1.37Å | |
| C3 | O2 | sing | 1.36Å | 1.34Å | |
| C3 | C4 | sing | 1.47Å | 1.39Å | |
| C8 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| N1 | C4 | sing | 1.35Å | 1.38Å | |
| C4 | O1 | doub | 1.22Å | 1.24Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.08Å | 1.08Å | |
| N1 | H23 | sing | 0.97Å | 1.00Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| O2 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C25 | C24 | 118.4° | 120.1° |
| CL1 | C25 | C20 | 120.5° | 120.0° |
| C25 | C24 | C23 | 119.5° | 120.0° |
| C24 | C25 | C20 | 121.1° | 119.9° |
| C25 | C24 | H17 | 120.3° | 119.9° |
| C24 | C23 | C22 | 120.4° | 120.2° |
| C24 | C23 | H16 | 119.8° | 119.9° |
| C23 | C24 | H17 | 120.2° | 120.0° |
| C25 | C20 | S2 | 120.4° | 120.1° |
| C25 | C20 | C21 | 118.6° | 119.8° |
| C23 | C22 | C21 | 120.5° | 120.1° |
| C23 | C22 | H15 | 119.8° | 120.0° |
| C22 | C23 | H16 | 119.8° | 119.9° |
| S2 | C20 | C21 | 121.0° | 120.1° |
| C20 | S2 | C19 | 106.8° | 103.0° |
| C20 | C21 | C22 | 119.9° | 119.9° |
| C20 | C21 | H14 | 120.1° | 120.0° |
| S2 | C19 | C18 | 113.5° | 109.5° |
| S2 | C19 | H12 | 108.4° | 109.5° |
| S2 | C19 | H13 | 108.5° | 109.5° |
| C22 | C21 | H14 | 120.1° | 120.0° |
| C21 | C22 | H15 | 119.8° | 119.9° |
| C19 | C18 | O4 | 120.3° | 120.0° |
| C19 | C18 | N4 | 118.9° | 120.0° |
| C18 | C19 | H12 | 108.5° | 109.4° |
| C18 | C19 | H13 | 108.5° | 109.5° |
| O4 | C18 | N4 | 120.7° | 120.0° |
| C18 | N4 | C17 | 125.9° | 125.6° |
| C18 | N4 | C14 | 122.5° | 125.7° |
| N3 | C6 | C7 | 113.5° | 109.4° |
| C6 | N3 | C5 | 122.3° | 120.0° |
| N3 | C6 | H18 | 108.5° | 109.4° |
| N3 | C6 | H19 | 108.5° | 109.5° |
| C6 | N3 | H24 | 118.9° | 120.0° |
| C6 | C7 | S1 | 113.0° | 109.5° |
| C7 | C6 | H18 | 108.5° | 109.5° |
| C7 | C6 | H19 | 108.4° | 109.5° |
| C6 | C7 | H20 | 108.6° | 109.5° |
| C6 | C7 | H21 | 108.6° | 109.5° |
| N3 | C5 | O3 | 123.4° | 120.0° |
| N3 | C5 | C2 | 115.4° | 120.0° |
| C5 | N3 | H24 | 118.8° | 120.0° |
| O6 | S1 | C7 | 108.3° | 110.5° |
| O6 | S1 | O5 | 118.5° | 121.0° |
| O6 | S1 | C8 | 108.3° | 104.3° |
| C7 | S1 | O5 | 108.1° | 110.6° |
| C7 | S1 | C8 | 105.4° | 104.5° |
| S1 | C7 | H20 | 108.6° | 109.5° |
| S1 | C7 | H21 | 108.6° | 109.5° |
| C17 | N4 | C14 | 111.6° | 108.7° |
| N4 | C17 | C16 | 103.4° | 104.8° |
| N4 | C17 | H10 | 111.0° | 110.4° |
| N4 | C17 | H11 | 111.0° | 110.5° |
| N4 | C14 | C1 | 113.0° | 109.9° |
| N4 | C14 | C15 | 99.9° | 107.3° |
| N4 | C14 | H5 | 110.4° | 110.0° |
| O3 | C5 | C2 | 121.1° | 119.9° |
| C5 | C2 | N2 | 117.7° | 120.2° |
| C5 | C2 | C3 | 120.2° | 120.3° |
| O5 | S1 | C8 | 107.5° | 104.3° |
| S1 | C8 | C13 | 119.9° | 120.0° |
| S1 | C8 | C9 | 119.8° | 120.0° |
| C2 | N2 | C1 | 119.3° | 122.2° |
| N2 | C2 | C3 | 122.1° | 119.5° |
| N2 | C1 | C14 | 117.9° | 118.7° |
| N2 | C1 | N1 | 120.5° | 122.6° |
| C17 | C16 | C15 | 102.3° | 101.6° |
| C17 | C16 | H8 | 111.2° | 111.1° |
| C17 | C16 | H9 | 111.2° | 111.1° |
| C16 | C17 | H10 | 111.0° | 110.3° |
| C16 | C17 | H11 | 111.0° | 110.4° |
| C1 | C14 | C15 | 113.9° | 109.9° |
| C14 | C1 | N1 | 121.5° | 118.7° |
| C1 | C14 | H5 | 109.8° | 109.8° |
| C14 | C15 | C16 | 101.4° | 102.9° |
| C15 | C14 | H5 | 109.5° | 109.9° |
| C14 | C15 | H6 | 111.4° | 110.7° |
| C14 | C15 | H7 | 111.4° | 110.8° |
| C2 | C3 | O2 | 123.8° | 121.2° |
| C2 | C3 | C4 | 120.0° | 117.7° |
| C1 | N1 | C4 | 121.5° | 120.1° |
| C1 | N1 | H23 | 119.2° | 119.9° |
| O2 | C3 | C4 | 116.3° | 121.1° |
| C3 | O2 | H25 | 109.5° | 114.0° |
| C3 | C4 | N1 | 116.6° | 117.9° |
| C3 | C4 | O1 | 123.7° | 121.0° |
| C13 | C8 | C9 | 120.3° | 120.0° |
| C8 | C13 | C12 | 119.4° | 120.0° |
| C8 | C13 | H4 | 120.3° | 120.0° |
| C8 | C9 | C10 | 119.6° | 120.0° |
| C8 | C9 | H22 | 120.2° | 120.0° |
| C13 | C12 | C11 | 120.5° | 120.0° |
| C13 | C12 | H3 | 119.8° | 120.0° |
| C12 | C13 | H4 | 120.3° | 120.0° |
| C16 | C15 | H6 | 111.5° | 110.7° |
| C16 | C15 | H7 | 111.4° | 110.8° |
| C15 | C16 | H8 | 111.2° | 111.0° |
| C15 | C16 | H9 | 111.2° | 111.0° |
| N1 | C4 | O1 | 119.7° | 121.0° |
| C4 | N1 | H23 | 119.2° | 120.0° |
| C9 | C10 | C11 | 120.2° | 120.0° |
| C9 | C10 | H1 | 119.9° | 120.0° |
| C10 | C9 | H22 | 120.2° | 120.0° |
| C12 | C11 | C10 | 120.0° | 120.1° |
| C12 | C11 | H2 | 120.0° | 120.0° |
| C11 | C12 | H3 | 119.7° | 120.0° |
| C11 | C10 | H1 | 119.9° | 120.0° |
| C10 | C11 | H2 | 120.0° | 120.0° |
| H6 | C15 | H7 | 109.5° | 110.8° |
| H8 | C16 | H9 | 109.5° | 110.9° |
| H10 | C17 | H11 | 109.5° | 110.4° |
| H12 | C19 | H13 | 109.5° | 109.4° |
| H18 | C6 | H19 | 109.5° | 109.5° |
| H20 | C7 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C25 | C24 | C20 | 179.7° | 179.5° |
| CL1 | C25 | C24 | C23 | 179.9° | 180.0° |
| CL1 | C25 | C20 | S2 | 0.4° | 0.2° |
| CL1 | C25 | C20 | C21 | 180.0° | 180.0° |
| CL1 | C25 | C24 | H17 | 0.1° | 0.5° |
| C25 | C24 | C23 | H17 | 180.0° | 179.4° |
| C25 | C24 | C23 | C22 | 0.1° | 0.3° |
| C24 | C25 | C20 | S2 | 179.9° | 179.7° |
| C24 | C25 | C20 | C21 | 0.2° | 0.5° |
| C25 | C24 | C23 | H16 | 179.9° | 179.8° |
| C23 | C24 | C25 | C20 | 0.2° | 0.6° |
| C24 | C23 | C22 | H16 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.3° | 0.1° |
| C24 | C23 | C22 | H15 | 179.8° | 180.0° |
| C25 | C20 | S2 | C21 | 179.6° | 179.8° |
| C25 | C20 | S2 | C19 | 157.2° | 179.8° |
| C25 | C20 | C21 | C22 | 0.1° | 0.3° |
| C25 | C20 | C21 | H14 | 179.9° | 179.8° |
| C20 | C25 | C24 | H17 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.1° |
| C23 | C22 | C21 | H15 | 180.0° | 180.0° |
| C23 | C22 | C21 | H14 | 179.8° | 180.0° |
| C22 | C23 | C24 | H17 | 179.9° | 179.8° |
| S2 | C20 | C21 | C22 | 179.7° | 180.0° |
| C20 | S2 | C19 | C18 | 66.7° | 180.0° |
| C20 | S2 | C19 | H12 | 172.7° | 60.0° |
| C20 | S2 | C19 | H13 | 53.9° | 60.0° |
| S2 | C20 | C21 | H14 | 0.3° | 0.0° |
| C21 | C20 | S2 | C19 | 23.2° | 0.0° |
| C20 | C21 | C22 | H14 | 180.0° | 179.9° |
| C20 | C21 | C22 | H15 | 179.8° | 180.0° |
| S2 | C19 | C18 | H12 | 120.6° | 120.0° |
| S2 | C19 | C18 | H13 | 120.6° | 120.1° |
| S2 | C19 | C18 | O4 | 3.3° | 0.0° |
| S2 | C19 | C18 | N4 | 176.8° | 180.0° |
| S2 | C19 | H12 | H13 | 118.2° | 120.1° |
| C21 | C22 | C23 | H16 | 179.8° | 180.0° |
| C19 | C18 | O4 | N4 | 180.0° | 180.0° |
| C19 | C18 | N4 | C17 | 12.4° | 0.0° |
| C19 | C18 | N4 | C14 | 168.9° | 179.9° |
| C18 | C19 | H12 | H13 | 118.2° | 119.9° |
| O4 | C18 | N4 | C17 | 167.7° | 180.0° |
| O4 | C18 | N4 | C14 | 11.1° | 0.0° |
| O4 | C18 | C19 | H12 | 123.8° | 120.0° |
| O4 | C18 | C19 | H13 | 117.3° | 120.1° |
| C18 | N4 | C17 | C14 | 178.9° | 180.0° |
| C18 | N4 | C17 | C16 | 178.3° | 155.8° |
| C18 | N4 | C14 | C1 | 84.3° | 61.7° |
| C18 | N4 | C14 | C15 | 154.3° | 178.9° |
| C18 | N4 | C14 | H5 | 39.0° | 59.4° |
| C18 | N4 | C17 | H10 | 62.7° | 85.4° |
| C18 | N4 | C17 | H11 | 59.3° | 37.0° |
| N4 | C18 | C19 | H12 | 56.2° | 60.0° |
| N4 | C18 | C19 | H13 | 62.6° | 59.9° |
| N3 | C6 | C7 | H18 | 120.6° | 119.9° |
| N3 | C6 | C7 | H19 | 120.6° | 120.0° |
| C6 | N3 | C5 | H24 | 180.0° | 180.0° |
| N3 | C6 | C7 | S1 | 71.6° | 180.0° |
| C6 | N3 | C5 | O3 | 2.3° | 0.1° |
| C6 | N3 | C5 | C2 | 178.8° | 180.0° |
| N3 | C6 | H18 | H19 | 118.2° | 120.0° |
| N3 | C6 | C7 | H20 | 167.9° | 60.0° |
| N3 | C6 | C7 | H21 | 48.9° | 60.0° |
| C7 | C6 | N3 | C5 | 66.1° | 180.0° |
| C6 | C7 | S1 | O6 | 36.8° | 68.4° |
| C6 | C7 | S1 | H20 | 120.5° | 120.0° |
| C6 | C7 | S1 | H21 | 120.5° | 120.0° |
| C6 | C7 | S1 | O5 | 166.4° | 68.3° |
| C6 | C7 | S1 | C8 | 78.9° | 180.0° |
| C7 | C6 | H18 | H19 | 118.1° | 120.1° |
| C6 | C7 | H20 | H21 | 118.4° | 120.0° |
| C7 | C6 | N3 | H24 | 113.9° | 0.0° |
| N3 | C5 | O3 | C2 | 178.8° | 180.0° |
| N3 | C5 | C2 | N2 | 7.6° | 0.3° |
| N3 | C5 | C2 | C3 | 172.3° | 179.9° |
| C5 | N3 | C6 | H18 | 173.3° | 60.1° |
| C5 | N3 | C6 | H19 | 54.5° | 60.0° |
| O6 | S1 | C7 | O5 | 129.5° | 136.7° |
| O6 | S1 | C7 | C8 | 115.7° | 111.6° |
| O6 | S1 | O5 | C8 | 123.0° | 116.8° |
| O6 | S1 | C8 | C13 | 6.9° | 153.9° |
| O6 | S1 | C8 | C9 | 173.7° | 26.4° |
| O6 | S1 | C7 | H20 | 83.7° | 51.7° |
| O6 | S1 | C7 | H21 | 157.3° | 171.7° |
| C7 | S1 | O5 | C8 | 113.4° | 111.8° |
| C7 | S1 | C8 | C13 | 122.7° | 90.0° |
| C7 | S1 | C8 | C9 | 58.0° | 89.7° |
| S1 | C7 | C6 | H18 | 49.0° | 60.1° |
| S1 | C7 | C6 | H19 | 167.8° | 60.0° |
| S1 | C7 | H20 | H21 | 118.4° | 120.0° |
| N4 | C17 | C16 | H10 | 119.0° | 118.8° |
| N4 | C17 | C16 | H11 | 119.0° | 119.0° |
| C17 | N4 | C14 | C1 | 96.8° | 118.4° |
| C17 | N4 | C14 | C15 | 24.6° | 1.1° |
| N4 | C17 | C16 | C15 | 29.7° | 37.0° |
| C17 | N4 | C14 | H5 | 139.9° | 120.6° |
| N4 | C17 | C16 | H8 | 148.6° | 155.1° |
| N4 | C17 | C16 | H9 | 89.1° | 81.1° |
| N4 | C17 | H10 | H11 | 122.8° | 122.4° |
| N4 | C14 | C1 | N2 | 7.2° | 5.5° |
| C14 | N4 | C17 | C16 | 2.9° | 24.1° |
| N4 | C14 | C1 | C15 | 113.1° | 117.8° |
| N4 | C14 | C1 | H5 | 123.7° | 121.2° |
| N4 | C14 | C15 | H5 | 115.9° | 119.6° |
| N4 | C14 | C1 | N1 | 172.6° | 174.3° |
| N4 | C14 | C15 | C16 | 42.0° | 22.2° |
| N4 | C14 | C15 | H6 | 160.7° | 96.1° |
| N4 | C14 | C15 | H7 | 76.7° | 140.6° |
| C14 | N4 | C17 | H10 | 116.2° | 94.7° |
| C14 | N4 | C17 | H11 | 121.9° | 143.0° |
| O3 | C5 | C2 | N2 | 171.3° | 179.7° |
| O3 | C5 | C2 | C3 | 8.9° | 0.0° |
| O3 | C5 | N3 | H24 | 177.7° | 180.0° |
| C5 | C2 | N2 | C3 | 179.9° | 179.7° |
| C5 | C2 | N2 | C1 | 179.7° | 179.7° |
| C5 | C2 | C3 | O2 | 0.3° | 0.0° |
| C5 | C2 | C3 | C4 | 179.9° | 180.0° |
| C2 | C5 | N3 | H24 | 1.2° | 0.0° |
| O5 | S1 | C8 | C13 | 122.2° | 26.1° |
| O5 | S1 | C8 | C9 | 57.2° | 154.2° |
| O5 | S1 | C7 | H20 | 45.9° | 171.6° |
| O5 | S1 | C7 | H21 | 73.1° | 51.7° |
| S1 | C8 | C13 | C9 | 179.3° | 179.7° |
| S1 | C8 | C13 | C12 | 179.5° | 180.0° |
| S1 | C8 | C9 | C10 | 179.5° | 179.7° |
| S1 | C8 | C13 | H4 | 0.5° | 0.0° |
| C8 | S1 | C7 | H20 | 160.6° | 60.0° |
| C8 | S1 | C7 | H21 | 41.6° | 60.0° |
| S1 | C8 | C9 | H22 | 0.5° | 0.3° |
| C2 | N2 | C1 | C14 | 179.7° | 179.7° |
| C2 | N2 | C1 | N1 | 0.5° | 0.0° |
| N2 | C2 | C3 | O2 | 179.5° | 179.7° |
| N2 | C2 | C3 | C4 | 0.2° | 0.3° |
| N2 | C1 | C14 | N1 | 179.8° | 179.7° |
| N2 | C1 | C14 | C15 | 120.3° | 123.3° |
| C1 | N2 | C2 | C3 | 0.4° | 0.0° |
| N2 | C1 | N1 | C4 | 0.5° | 0.3° |
| N2 | C1 | C14 | H5 | 116.4° | 115.7° |
| N2 | C1 | N1 | H23 | 179.5° | 179.7° |
| C17 | C16 | C15 | C14 | 45.1° | 35.5° |
| C17 | C16 | C15 | H8 | 118.9° | 118.1° |
| C17 | C16 | C15 | H9 | 118.8° | 118.1° |
| C17 | C16 | C15 | H6 | 163.8° | 82.9° |
| C17 | C16 | C15 | H7 | 73.6° | 153.9° |
| C17 | C16 | H8 | H9 | 123.3° | 124.0° |
| C16 | C17 | H10 | H11 | 122.8° | 122.2° |
| C1 | C14 | C15 | H5 | 123.4° | 120.9° |
| C1 | C14 | C15 | C16 | 78.7° | 141.6° |
| C14 | C1 | N1 | C4 | 179.7° | 180.0° |
| C1 | C14 | C15 | H6 | 40.0° | 23.3° |
| C1 | C14 | C15 | H7 | 162.6° | 100.0° |
| C14 | C1 | N1 | H23 | 0.3° | 0.0° |
| C15 | C14 | C1 | N1 | 59.5° | 56.4° |
| C14 | C15 | C16 | H6 | 118.7° | 118.3° |
| C14 | C15 | C16 | H7 | 118.7° | 118.4° |
| C14 | C15 | H6 | H7 | 123.7° | 123.3° |
| C14 | C15 | C16 | H8 | 164.0° | 153.6° |
| C14 | C15 | C16 | H9 | 73.7° | 82.7° |
| C2 | C3 | O2 | C4 | 179.8° | 180.0° |
| C2 | C3 | C4 | N1 | 0.2° | 0.5° |
| C2 | C3 | C4 | O1 | 179.9° | 180.0° |
| C2 | C3 | O2 | H25 | 3.9° | 179.9° |
| C1 | N1 | C4 | C3 | 0.3° | 0.5° |
| C1 | N1 | C4 | H23 | 180.0° | 180.0° |
| C1 | N1 | C4 | O1 | 179.7° | 180.0° |
| N1 | C1 | C14 | H5 | 63.8° | 64.6° |
| O2 | C3 | C4 | N1 | 179.6° | 179.5° |
| O2 | C3 | C4 | O1 | 0.4° | 0.1° |
| C3 | C4 | N1 | O1 | 180.0° | 179.5° |
| C3 | C4 | N1 | H23 | 179.7° | 179.5° |
| C4 | C3 | O2 | H25 | 176.4° | 0.1° |
| C8 | C13 | C12 | H4 | 180.0° | 180.0° |
| C13 | C8 | C9 | C10 | 0.2° | 0.6° |
| C8 | C13 | C12 | C11 | 0.1° | 0.0° |
| C8 | C13 | C12 | H3 | 179.9° | 179.9° |
| C13 | C8 | C9 | H22 | 179.8° | 180.0° |
| C9 | C8 | C13 | C12 | 0.2° | 0.3° |
| C8 | C9 | C10 | H22 | 180.0° | 179.4° |
| C8 | C9 | C10 | C11 | 0.0° | 0.6° |
| C8 | C9 | C10 | H1 | 180.0° | 179.7° |
| C9 | C8 | C13 | H4 | 179.8° | 179.7° |
| C13 | C12 | C11 | H3 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.0° |
| C13 | C12 | C11 | H2 | 179.7° | 180.0° |
| C16 | C15 | C14 | H5 | 157.9° | 97.5° |
| C16 | C15 | H6 | H7 | 123.7° | 123.3° |
| C15 | C16 | H8 | H9 | 123.3° | 123.8° |
| C15 | C16 | C17 | H10 | 89.3° | 81.9° |
| C15 | C16 | C17 | H11 | 148.7° | 155.9° |
| O1 | C4 | N1 | H23 | 0.3° | 0.0° |
| C9 | C10 | C11 | C12 | 0.3° | 0.3° |
| C9 | C10 | C11 | H1 | 180.0° | 179.7° |
| C9 | C10 | C11 | H2 | 179.7° | 179.7° |
| C12 | C11 | C10 | H2 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 179.7° | 180.0° |
| C11 | C12 | C13 | H4 | 179.9° | 180.0° |
| C10 | C11 | C12 | H3 | 179.7° | 179.9° |
| C11 | C10 | C9 | H22 | 180.0° | 180.0° |
| H1 | C10 | C11 | H2 | 0.2° | 0.0° |
| H1 | C10 | C9 | H22 | 0.0° | 0.3° |
| H2 | C11 | C12 | H3 | 0.3° | 0.1° |
| H3 | C12 | C13 | H4 | 0.1° | 0.1° |
| H5 | C14 | C15 | H6 | 83.3° | 144.2° |
| H5 | C14 | C15 | H7 | 39.2° | 21.0° |
| H6 | C15 | C16 | H8 | 77.3° | 35.3° |
| H6 | C15 | C16 | H9 | 45.0° | 159.0° |
| H7 | C15 | C16 | H8 | 45.3° | 88.0° |
| H7 | C15 | C16 | H9 | 167.6° | 35.7° |
| H8 | C16 | C17 | H10 | 29.5° | 36.2° |
| H8 | C16 | C17 | H11 | 92.4° | 86.0° |
| H9 | C16 | C17 | H10 | 151.8° | 160.1° |
| H9 | C16 | C17 | H11 | 29.9° | 37.9° |
| H14 | C21 | C22 | H15 | 0.2° | 0.0° |
| H15 | C22 | C23 | H16 | 0.2° | 0.0° |
| H16 | C23 | C24 | H17 | 0.1° | 0.3° |
| H18 | C6 | C7 | H20 | 71.5° | 59.9° |
| H18 | C6 | C7 | H21 | 169.5° | 179.9° |
| H18 | C6 | N3 | H24 | 6.7° | 120.0° |
| H19 | C6 | C7 | H20 | 47.3° | 180.0° |
| H19 | C6 | C7 | H21 | 71.6° | 60.0° |
| H19 | C6 | N3 | H24 | 125.5° | 120.0° |
