KU0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | doub | 1.21Å | 1.23Å | |
| CL2 | C21 | sing | 1.74Å | 1.73Å | |
| C3 | C2 | sing | 1.48Å | 1.50Å | |
| C3 | N1 | sing | 1.35Å | 1.34Å | |
| C21 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | N1 | sing | 1.47Å | 1.47Å | |
| C20 | C19 | sing | 1.55Å | 1.51Å | |
| C22 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
| C1 | CL1 | sing | 1.74Å | 1.72Å | |
| C1 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C4 | sing | 1.47Å | 1.48Å | |
| C8 | N3 | sing | 1.46Å | 1.45Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| N5 | C23 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | C7 | sing | 1.35Å | 1.33Å | |
| O3 | S1 | doub | 1.42Å | 1.43Å | |
| C19 | C18 | sing | 1.55Å | 1.52Å | |
| C9 | S1 | sing | 1.81Å | 1.78Å | |
| C7 | O2 | doub | 1.22Å | 1.23Å | |
| C7 | C6 | sing | 1.48Å | 1.51Å | |
| C4 | C18 | sing | 1.54Å | 1.54Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| N2 | C6 | sing | 1.35Å | 1.34Å | |
| N2 | C5 | doub | 1.30Å | 1.34Å | |
| C6 | C16 | doub | 1.39Å | 1.37Å | |
| C5 | N4 | sing | 1.36Å | 1.37Å | |
| S1 | O4 | doub | 1.42Å | 1.44Å | |
| S1 | C10 | sing | 1.76Å | 1.77Å | |
| N4 | C17 | sing | 1.35Å | 1.38Å | |
| C16 | O5 | sing | 1.36Å | 1.34Å | |
| C16 | C17 | sing | 1.47Å | 1.40Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | O6 | doub | 1.22Å | 1.24Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| O5 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | C2 | 120.8° | 120.0° |
| O1 | C3 | N1 | 121.2° | 120.0° |
| CL2 | C21 | C2 | 120.7° | 120.5° |
| CL2 | C21 | C22 | 119.8° | 120.5° |
| C2 | C3 | N1 | 117.9° | 120.0° |
| C3 | C2 | C21 | 119.9° | 120.9° |
| C3 | C2 | C1 | 123.0° | 120.9° |
| C3 | N1 | C20 | 123.0° | 125.7° |
| C3 | N1 | C4 | 125.4° | 125.6° |
| C2 | C21 | C22 | 119.5° | 119.0° |
| C21 | C2 | C1 | 117.0° | 118.1° |
| C21 | C22 | N5 | 122.6° | 120.9° |
| C21 | C22 | H12 | 118.7° | 119.6° |
| C2 | C1 | CL1 | 120.9° | 120.5° |
| C2 | C1 | C23 | 119.7° | 119.0° |
| N1 | C20 | C19 | 102.3° | 104.8° |
| C20 | N1 | C4 | 111.6° | 108.7° |
| N1 | C20 | H10 | 111.2° | 110.4° |
| N1 | C20 | H11 | 111.2° | 110.3° |
| C20 | C19 | C18 | 101.9° | 101.6° |
| C20 | C19 | H8 | 111.3° | 111.0° |
| C20 | C19 | H9 | 111.4° | 111.1° |
| C19 | C20 | H10 | 111.2° | 110.5° |
| C19 | C20 | H11 | 111.2° | 110.3° |
| C22 | N5 | C23 | 118.8° | 122.1° |
| N5 | C22 | H12 | 118.7° | 119.5° |
| CL1 | C1 | C23 | 119.4° | 120.5° |
| C1 | C23 | N5 | 122.4° | 120.9° |
| C1 | C23 | H13 | 118.8° | 119.5° |
| N1 | C4 | C18 | 101.7° | 107.1° |
| N1 | C4 | C5 | 112.7° | 110.1° |
| N1 | C4 | H14 | 109.2° | 110.0° |
| N3 | C8 | C9 | 113.5° | 109.4° |
| C8 | N3 | C7 | 122.7° | 120.0° |
| N3 | C8 | H15 | 108.5° | 109.5° |
| N3 | C8 | H16 | 108.5° | 109.5° |
| C8 | N3 | H19 | 118.6° | 120.0° |
| C8 | C9 | S1 | 112.9° | 109.5° |
| C9 | C8 | H15 | 108.5° | 109.5° |
| C9 | C8 | H16 | 108.5° | 109.5° |
| C8 | C9 | H17 | 108.6° | 109.5° |
| C8 | C9 | H18 | 108.6° | 109.5° |
| N5 | C23 | H13 | 118.8° | 119.6° |
| N3 | C7 | O2 | 123.2° | 120.0° |
| N3 | C7 | C6 | 114.9° | 120.0° |
| C7 | N3 | H19 | 118.6° | 120.0° |
| O3 | S1 | C9 | 107.9° | 110.5° |
| O3 | S1 | O4 | 118.0° | 121.0° |
| O3 | S1 | C10 | 108.6° | 104.3° |
| C19 | C18 | C4 | 102.6° | 103.1° |
| C19 | C18 | H6 | 111.2° | 110.8° |
| C19 | C18 | H7 | 111.2° | 110.7° |
| C18 | C19 | H8 | 111.3° | 111.0° |
| C18 | C19 | H9 | 111.3° | 111.0° |
| C9 | S1 | O4 | 108.3° | 110.5° |
| C9 | S1 | C10 | 105.6° | 104.4° |
| S1 | C9 | H17 | 108.6° | 109.5° |
| S1 | C9 | H18 | 108.6° | 109.5° |
| O2 | C7 | C6 | 121.8° | 120.0° |
| C7 | C6 | N2 | 115.8° | 120.3° |
| C7 | C6 | C16 | 122.5° | 120.2° |
| C18 | C4 | C5 | 115.7° | 109.9° |
| C4 | C18 | H6 | 111.2° | 110.7° |
| C4 | C18 | H7 | 111.2° | 110.7° |
| C18 | C4 | H14 | 108.5° | 109.9° |
| C4 | C5 | N2 | 117.4° | 118.7° |
| C4 | C5 | N4 | 121.6° | 118.7° |
| C5 | C4 | H14 | 108.8° | 109.9° |
| C6 | N2 | C5 | 119.5° | 122.2° |
| N2 | C6 | C16 | 121.7° | 119.5° |
| N2 | C5 | N4 | 121.0° | 122.6° |
| C6 | C16 | O5 | 123.8° | 121.2° |
| C6 | C16 | C17 | 119.9° | 117.7° |
| C5 | N4 | C17 | 121.0° | 120.1° |
| C5 | N4 | H20 | 119.5° | 119.9° |
| O4 | S1 | C10 | 107.6° | 104.3° |
| S1 | C10 | C11 | 119.9° | 120.1° |
| S1 | C10 | C15 | 119.8° | 120.0° |
| N4 | C17 | C16 | 116.8° | 117.9° |
| N4 | C17 | O6 | 119.0° | 121.1° |
| C17 | N4 | H20 | 119.5° | 120.0° |
| O5 | C16 | C17 | 116.3° | 121.1° |
| C16 | O5 | H21 | 109.5° | 114.0° |
| C16 | C17 | O6 | 124.2° | 121.0° |
| C11 | C10 | C15 | 120.3° | 120.0° |
| C10 | C11 | C12 | 119.4° | 120.0° |
| C10 | C11 | H1 | 120.3° | 120.0° |
| C10 | C15 | C14 | 119.6° | 120.0° |
| C10 | C15 | H5 | 120.2° | 120.0° |
| C11 | C12 | C13 | 120.4° | 120.0° |
| C12 | C11 | H1 | 120.3° | 120.0° |
| C11 | C12 | H2 | 119.8° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.0° |
| C13 | C12 | H2 | 119.8° | 120.0° |
| C12 | C13 | H3 | 120.0° | 120.0° |
| C15 | C14 | C13 | 120.3° | 120.0° |
| C15 | C14 | H4 | 119.8° | 120.0° |
| C14 | C15 | H5 | 120.2° | 120.0° |
| C14 | C13 | H3 | 120.0° | 120.1° |
| C13 | C14 | H4 | 119.9° | 119.9° |
| H6 | C18 | H7 | 109.5° | 110.7° |
| H8 | C19 | H9 | 109.5° | 110.8° |
| H10 | C20 | H11 | 109.5° | 110.4° |
| H15 | C8 | H16 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | C2 | N1 | 176.3° | 180.0° |
| O1 | C3 | C2 | C21 | 70.3° | 94.5° |
| O1 | C3 | C2 | C1 | 111.5° | 85.6° |
| O1 | C3 | N1 | C20 | 3.5° | 175.1° |
| O1 | C3 | N1 | C4 | 177.0° | 4.8° |
| CL2 | C21 | C2 | C3 | 1.7° | 0.1° |
| CL2 | C21 | C2 | C22 | 179.0° | 180.0° |
| CL2 | C21 | C2 | C1 | 180.0° | 180.0° |
| CL2 | C21 | C22 | N5 | 179.7° | 180.0° |
| CL2 | C21 | C22 | H12 | 0.3° | 0.0° |
| C3 | C2 | C21 | C1 | 178.3° | 179.9° |
| C3 | C2 | C21 | C22 | 179.2° | 180.0° |
| C2 | C3 | N1 | C20 | 172.7° | 4.9° |
| C3 | C2 | C1 | CL1 | 1.1° | 0.0° |
| C3 | C2 | C1 | C23 | 179.0° | 179.8° |
| C2 | C3 | N1 | C4 | 6.8° | 175.2° |
| N1 | C3 | C2 | C21 | 105.9° | 85.5° |
| N1 | C3 | C2 | C1 | 72.3° | 94.5° |
| C3 | N1 | C20 | C4 | 179.5° | 179.9° |
| C3 | N1 | C20 | C19 | 160.8° | 155.8° |
| C3 | N1 | C4 | C18 | 171.8° | 178.8° |
| C3 | N1 | C4 | C5 | 63.8° | 61.7° |
| C3 | N1 | C20 | H10 | 80.3° | 85.2° |
| C3 | N1 | C20 | H11 | 42.0° | 37.1° |
| C3 | N1 | C4 | H14 | 57.2° | 59.4° |
| C2 | C21 | C22 | N5 | 0.6° | 0.1° |
| C21 | C2 | C1 | CL1 | 179.4° | 180.0° |
| C21 | C2 | C1 | C23 | 0.7° | 0.3° |
| C2 | C21 | C22 | H12 | 179.4° | 180.0° |
| C22 | C21 | C2 | C1 | 0.9° | 0.0° |
| C21 | C22 | N5 | H12 | 180.0° | 180.0° |
| C21 | C22 | N5 | C23 | 0.1° | 0.3° |
| C2 | C1 | CL1 | C23 | 179.9° | 179.7° |
| C2 | C1 | C23 | N5 | 0.3° | 0.6° |
| C2 | C1 | C23 | H13 | 179.7° | 179.7° |
| N1 | C20 | C19 | H10 | 118.8° | 118.9° |
| N1 | C20 | C19 | H11 | 118.8° | 118.7° |
| N1 | C20 | C19 | C18 | 38.5° | 37.0° |
| C20 | N1 | C4 | C18 | 8.7° | 1.3° |
| C20 | N1 | C4 | C5 | 115.7° | 118.2° |
| N1 | C20 | C19 | H8 | 157.3° | 155.1° |
| N1 | C20 | C19 | H9 | 80.2° | 81.1° |
| N1 | C20 | H10 | H11 | 123.3° | 122.2° |
| C20 | N1 | C4 | H14 | 123.2° | 120.7° |
| C19 | C20 | N1 | C4 | 18.7° | 24.3° |
| C20 | C19 | C18 | H8 | 118.8° | 118.1° |
| C20 | C19 | C18 | H9 | 118.8° | 118.1° |
| C20 | C19 | C18 | C4 | 44.7° | 35.4° |
| C20 | C19 | C18 | H6 | 74.2° | 153.8° |
| C20 | C19 | C18 | H7 | 163.6° | 83.0° |
| C20 | C19 | H8 | H9 | 123.5° | 123.9° |
| C19 | C20 | H10 | H11 | 123.3° | 122.3° |
| C22 | N5 | C23 | C1 | 0.1° | 0.6° |
| C22 | N5 | C23 | H13 | 179.9° | 179.7° |
| CL1 | C1 | C23 | N5 | 179.9° | 179.7° |
| CL1 | C1 | C23 | H13 | 0.1° | 0.0° |
| C1 | C23 | N5 | H13 | 180.0° | 179.7° |
| N1 | C4 | C18 | C19 | 32.5° | 21.9° |
| N1 | C4 | C18 | C5 | 122.4° | 119.6° |
| N1 | C4 | C18 | H14 | 115.0° | 119.4° |
| N1 | C4 | C5 | H14 | 121.2° | 121.2° |
| N1 | C4 | C5 | N2 | 36.9° | 117.6° |
| N1 | C4 | C5 | N4 | 141.0° | 62.7° |
| N1 | C4 | C18 | H6 | 86.4° | 140.4° |
| N1 | C4 | C18 | H7 | 151.4° | 96.5° |
| C4 | N1 | C20 | H10 | 100.1° | 94.7° |
| C4 | N1 | C20 | H11 | 137.6° | 143.0° |
| N3 | C8 | C9 | H15 | 120.6° | 120.0° |
| N3 | C8 | C9 | H16 | 120.6° | 120.0° |
| C8 | N3 | C7 | H19 | 180.0° | 180.0° |
| N3 | C8 | C9 | S1 | 70.4° | 175.1° |
| C8 | N3 | C7 | O2 | 5.8° | 5.1° |
| C8 | N3 | C7 | C6 | 172.9° | 175.0° |
| N3 | C8 | H15 | H16 | 118.2° | 120.0° |
| N3 | C8 | C9 | H17 | 169.1° | 55.1° |
| N3 | C8 | C9 | H18 | 50.1° | 64.9° |
| C9 | C8 | N3 | C7 | 66.5° | 175.1° |
| C8 | C9 | S1 | O3 | 39.0° | 68.4° |
| C8 | C9 | S1 | H17 | 120.5° | 120.0° |
| C8 | C9 | S1 | H18 | 120.5° | 120.0° |
| C8 | C9 | S1 | O4 | 167.9° | 68.4° |
| C8 | C9 | S1 | C10 | 77.0° | 180.0° |
| C9 | C8 | H15 | H16 | 118.2° | 120.0° |
| C8 | C9 | H17 | H18 | 118.4° | 120.0° |
| C9 | C8 | N3 | H19 | 113.5° | 4.9° |
| C23 | N5 | C22 | H12 | 179.9° | 179.7° |
| N3 | C7 | O2 | C6 | 178.6° | 179.9° |
| N3 | C7 | C6 | N2 | 10.6° | 5.4° |
| N3 | C7 | C6 | C16 | 169.2° | 174.6° |
| C7 | N3 | C8 | H15 | 172.9° | 64.9° |
| C7 | N3 | C8 | H16 | 54.1° | 55.1° |
| O3 | S1 | C9 | O4 | 128.9° | 136.7° |
| O3 | S1 | C9 | C10 | 116.0° | 111.7° |
| O3 | S1 | O4 | C10 | 123.3° | 116.8° |
| O3 | S1 | C10 | C11 | 16.1° | 153.9° |
| O3 | S1 | C10 | C15 | 165.3° | 25.8° |
| O3 | S1 | C9 | H17 | 81.4° | 51.6° |
| O3 | S1 | C9 | H18 | 159.5° | 171.6° |
| C19 | C18 | C4 | H6 | 118.9° | 118.5° |
| C19 | C18 | C4 | H7 | 118.9° | 118.4° |
| C19 | C18 | C4 | C5 | 89.9° | 141.5° |
| C19 | C18 | H6 | H7 | 123.2° | 123.2° |
| C18 | C19 | H8 | H9 | 123.5° | 123.8° |
| C18 | C19 | C20 | H10 | 80.3° | 81.9° |
| C18 | C19 | C20 | H11 | 157.4° | 155.7° |
| C19 | C18 | C4 | H14 | 147.6° | 97.5° |
| C9 | S1 | O4 | C10 | 113.7° | 111.7° |
| C9 | S1 | C10 | C11 | 131.7° | 90.0° |
| C9 | S1 | C10 | C15 | 49.7° | 90.3° |
| S1 | C9 | C8 | H15 | 50.2° | 55.1° |
| S1 | C9 | C8 | H16 | 169.0° | 64.9° |
| S1 | C9 | H17 | H18 | 118.5° | 120.0° |
| O2 | C7 | C6 | N2 | 170.7° | 174.6° |
| O2 | C7 | C6 | C16 | 9.5° | 5.5° |
| O2 | C7 | N3 | H19 | 174.2° | 174.9° |
| C7 | C6 | N2 | C16 | 179.8° | 180.0° |
| C7 | C6 | N2 | C5 | 178.9° | 179.9° |
| C7 | C6 | C16 | O5 | 0.4° | 0.0° |
| C7 | C6 | C16 | C17 | 179.9° | 179.8° |
| C6 | C7 | N3 | H19 | 7.1° | 5.0° |
| C18 | C4 | C5 | H14 | 122.3° | 121.0° |
| C18 | C4 | C5 | N2 | 79.5° | 124.6° |
| C18 | C4 | C5 | N4 | 102.5° | 55.1° |
| C4 | C18 | H6 | H7 | 123.2° | 123.1° |
| C4 | C18 | C19 | H8 | 163.5° | 153.5° |
| C4 | C18 | C19 | H9 | 74.1° | 82.8° |
| C4 | C5 | N2 | C6 | 179.3° | 180.0° |
| C4 | C5 | N2 | N4 | 178.0° | 179.7° |
| C4 | C5 | N4 | C17 | 178.8° | 180.0° |
| C5 | C4 | C18 | H6 | 151.2° | 100.0° |
| C5 | C4 | C18 | H7 | 29.0° | 23.1° |
| C4 | C5 | N4 | H20 | 1.2° | 0.3° |
| C6 | N2 | C5 | N4 | 1.4° | 0.3° |
| N2 | C6 | C16 | O5 | 179.8° | 180.0° |
| N2 | C6 | C16 | C17 | 0.1° | 0.2° |
| C5 | N2 | C6 | C16 | 0.9° | 0.0° |
| N2 | C5 | N4 | C17 | 0.9° | 0.3° |
| N2 | C5 | C4 | H14 | 158.2° | 3.6° |
| N2 | C5 | N4 | H20 | 179.1° | 180.0° |
| C6 | C16 | C17 | N4 | 0.5° | 0.2° |
| C6 | C16 | O5 | C17 | 179.7° | 179.8° |
| C6 | C16 | C17 | O6 | 180.0° | 179.7° |
| C6 | C16 | O5 | H21 | 179.9° | 179.7° |
| C5 | N4 | C17 | H20 | 180.0° | 179.8° |
| C5 | N4 | C17 | C16 | 0.0° | 0.0° |
| C5 | N4 | C17 | O6 | 179.5° | 180.0° |
| N4 | C5 | C4 | H14 | 19.8° | 176.1° |
| O4 | S1 | C10 | C11 | 112.8° | 26.0° |
| O4 | S1 | C10 | C15 | 65.8° | 153.7° |
| O4 | S1 | C9 | H17 | 47.4° | 171.6° |
| O4 | S1 | C9 | H18 | 71.6° | 51.6° |
| S1 | C10 | C11 | C15 | 178.6° | 179.7° |
| S1 | C10 | C11 | C12 | 179.6° | 179.7° |
| S1 | C10 | C15 | C14 | 179.4° | 179.7° |
| S1 | C10 | C11 | H1 | 0.4° | 0.3° |
| S1 | C10 | C15 | H5 | 0.6° | 0.3° |
| C10 | S1 | C9 | H17 | 162.5° | 60.0° |
| C10 | S1 | C9 | H18 | 43.5° | 60.0° |
| N4 | C17 | C16 | O5 | 179.7° | 180.0° |
| N4 | C17 | C16 | O6 | 179.5° | 180.0° |
| O5 | C16 | C17 | O6 | 0.3° | 0.1° |
| C16 | C17 | N4 | H20 | 180.0° | 179.8° |
| C17 | C16 | O5 | H21 | 0.1° | 0.1° |
| C10 | C11 | C12 | H1 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.7° | 0.0° |
| C11 | C10 | C15 | C14 | 0.8° | 0.0° |
| C10 | C11 | C12 | H2 | 179.3° | 179.9° |
| C11 | C10 | C15 | H5 | 179.2° | 180.0° |
| C15 | C10 | C11 | C12 | 1.0° | 0.0° |
| C10 | C15 | C14 | H5 | 180.0° | 180.0° |
| C10 | C15 | C14 | C13 | 0.3° | 0.1° |
| C15 | C10 | C11 | H1 | 179.0° | 180.0° |
| C10 | C15 | C14 | H4 | 179.7° | 180.0° |
| C11 | C12 | C13 | H2 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H3 | 179.7° | 180.0° |
| O6 | C17 | N4 | H20 | 0.5° | 0.3° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C12 | C13 | C14 | H3 | 180.0° | 180.0° |
| C13 | C12 | C11 | H1 | 179.3° | 180.0° |
| C12 | C13 | C14 | H4 | 179.9° | 180.0° |
| C15 | C14 | C13 | H4 | 180.0° | 179.9° |
| C15 | C14 | C13 | H3 | 179.9° | 179.9° |
| C14 | C13 | C12 | H2 | 179.8° | 180.0° |
| C13 | C14 | C15 | H5 | 179.7° | 180.0° |
| H1 | C11 | C12 | H2 | 0.7° | 0.0° |
| H2 | C12 | C13 | H3 | 0.3° | 0.0° |
| H3 | C13 | C14 | H4 | 0.1° | 0.0° |
| H4 | C14 | C15 | H5 | 0.4° | 0.1° |
| H6 | C18 | C19 | H8 | 44.6° | 88.0° |
| H6 | C18 | C19 | H9 | 167.0° | 35.7° |
| H6 | C18 | C4 | H14 | 28.7° | 21.0° |
| H7 | C18 | C19 | H8 | 77.7° | 35.2° |
| H7 | C18 | C19 | H9 | 44.8° | 158.9° |
| H7 | C18 | C4 | H14 | 93.6° | 144.1° |
| H8 | C19 | C20 | H10 | 38.5° | 36.2° |
| H8 | C19 | C20 | H11 | 83.9° | 86.2° |
| H9 | C19 | C20 | H10 | 160.9° | 160.0° |
| H9 | C19 | C20 | H11 | 38.6° | 37.7° |
| H15 | C8 | C9 | H17 | 70.3° | 64.9° |
| H15 | C8 | C9 | H18 | 170.7° | 175.1° |
| H15 | C8 | N3 | H19 | 7.1° | 115.1° |
| H16 | C8 | C9 | H17 | 48.5° | 175.1° |
| H16 | C8 | C9 | H18 | 70.5° | 55.0° |
| H16 | C8 | N3 | H19 | 125.9° | 124.9° |
