8KU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.52Å | 1.51Å | |
| C7 | O3 | sing | 1.36Å | 1.36Å | |
| C13 | C6 | sing | 1.55Å | 1.53Å | |
| O3 | C6 | sing | 1.44Å | 1.47Å | |
| S1 | C17 | sing | 1.81Å | 1.82Å | |
| S1 | C18 | sing | 1.76Å | 1.77Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| O5 | C16 | doub | 1.21Å | 1.23Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| CL1 | C23 | sing | 1.74Å | 1.73Å | |
| C16 | N3 | sing | 1.35Å | 1.35Å | |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | N1 | sing | 1.47Å | 1.45Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C4 | sing | 1.35Å | 1.33Å | |
| N3 | C24 | sing | 1.47Å | 1.46Å | |
| N3 | C15 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.55Å | 1.50Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | C3 | sing | 1.48Å | 1.50Å | |
| N2 | C3 | sing | 1.35Å | 1.34Å | |
| N2 | C14 | doub | 1.30Å | 1.34Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | C26 | sing | 1.54Å | 1.54Å | |
| C3 | C2 | doub | 1.39Å | 1.37Å | |
| C14 | N4 | sing | 1.36Å | 1.37Å | |
| C25 | C26 | sing | 1.55Å | 1.53Å | |
| C2 | O2 | sing | 1.36Å | 1.34Å | |
| C2 | C1 | sing | 1.47Å | 1.39Å | |
| N4 | C1 | sing | 1.35Å | 1.38Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H22 | sing | 1.08Å | 1.08Å | |
| N1 | H23 | sing | 0.97Å | 1.00Å | |
| N4 | 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) |
| C9 | C10 | C11 | 121.0° | 119.8° |
| C10 | C9 | C8 | 121.7° | 120.3° |
| C9 | C10 | H1 | 119.5° | 120.1° |
| C10 | C9 | H22 | 119.2° | 119.8° |
| C10 | C11 | C12 | 117.9° | 120.0° |
| C11 | C10 | H1 | 119.5° | 120.1° |
| C10 | C11 | H2 | 121.1° | 120.0° |
| C9 | C8 | C7 | 116.5° | 120.3° |
| C9 | C8 | H21 | 121.7° | 119.9° |
| C8 | C9 | H22 | 119.1° | 119.9° |
| C11 | C12 | C7 | 120.1° | 120.8° |
| C11 | C12 | C13 | 131.6° | 132.2° |
| C12 | C11 | H2 | 121.1° | 120.0° |
| C8 | C7 | C12 | 122.9° | 118.9° |
| C8 | C7 | O3 | 124.2° | 129.9° |
| C7 | C8 | H21 | 121.7° | 119.9° |
| C7 | C12 | C13 | 108.4° | 107.0° |
| C12 | C7 | O3 | 112.8° | 111.2° |
| C12 | C13 | C6 | 101.4° | 101.9° |
| C12 | C13 | H3 | 111.5° | 110.9° |
| C12 | C13 | H4 | 111.4° | 110.9° |
| C7 | O3 | C6 | 106.6° | 109.3° |
| C13 | C6 | O3 | 105.6° | 102.8° |
| C13 | C6 | C5 | 115.7° | 110.7° |
| C6 | C13 | H3 | 111.4° | 111.0° |
| C6 | C13 | H4 | 111.4° | 111.0° |
| C13 | C6 | H20 | 108.5° | 110.8° |
| O3 | C6 | C5 | 108.7° | 110.7° |
| O3 | C6 | H20 | 109.4° | 110.9° |
| C17 | S1 | C18 | 106.5° | 103.0° |
| S1 | C17 | C16 | 115.8° | 109.5° |
| S1 | C17 | H6 | 107.9° | 109.5° |
| S1 | C17 | H7 | 107.8° | 109.5° |
| S1 | C18 | C19 | 119.4° | 120.1° |
| S1 | C18 | C23 | 121.9° | 120.1° |
| C6 | C5 | N1 | 112.1° | 109.5° |
| C6 | C5 | H18 | 108.8° | 109.5° |
| C6 | C5 | H19 | 108.8° | 109.5° |
| C5 | C6 | H20 | 108.8° | 110.6° |
| O5 | C16 | C17 | 120.2° | 120.0° |
| O5 | C16 | N3 | 120.5° | 120.0° |
| C17 | C16 | N3 | 119.3° | 120.0° |
| C16 | C17 | H6 | 107.8° | 109.4° |
| C16 | C17 | H7 | 107.9° | 109.4° |
| C19 | C18 | C23 | 118.6° | 119.9° |
| C18 | C19 | C20 | 120.1° | 119.9° |
| C18 | C19 | H8 | 120.0° | 120.0° |
| C18 | C23 | CL1 | 120.9° | 120.1° |
| C18 | C23 | C22 | 120.9° | 119.9° |
| CL1 | C23 | C22 | 118.2° | 120.0° |
| C16 | N3 | C24 | 124.1° | 125.6° |
| C16 | N3 | C15 | 126.7° | 125.7° |
| C19 | C20 | C21 | 120.3° | 120.1° |
| C20 | C19 | H8 | 119.9° | 120.1° |
| C19 | C20 | H9 | 119.8° | 119.9° |
| C5 | N1 | C4 | 122.5° | 120.0° |
| N1 | C5 | H18 | 108.8° | 109.4° |
| N1 | C5 | H19 | 108.8° | 109.5° |
| C5 | N1 | H23 | 118.7° | 120.0° |
| C23 | C22 | C21 | 119.7° | 120.0° |
| C23 | C22 | H11 | 120.1° | 120.0° |
| N1 | C4 | O4 | 123.0° | 120.0° |
| N1 | C4 | C3 | 115.6° | 120.0° |
| C4 | N1 | H23 | 118.7° | 120.0° |
| C24 | N3 | C15 | 109.1° | 108.7° |
| N3 | C24 | C25 | 99.6° | 104.8° |
| N3 | C24 | H12 | 111.9° | 110.4° |
| N3 | C24 | H13 | 111.9° | 110.5° |
| N3 | C15 | C14 | 115.3° | 109.9° |
| N3 | C15 | C26 | 102.1° | 107.3° |
| N3 | C15 | H5 | 109.7° | 110.0° |
| C20 | C21 | C22 | 120.4° | 120.2° |
| C21 | C20 | H9 | 119.9° | 119.9° |
| C20 | C21 | H10 | 119.8° | 120.0° |
| C22 | C21 | H10 | 119.8° | 119.9° |
| C21 | C22 | H11 | 120.2° | 120.0° |
| C24 | C25 | C26 | 102.2° | 101.6° |
| C25 | C24 | H12 | 111.9° | 110.4° |
| C25 | C24 | H13 | 111.9° | 110.4° |
| C24 | C25 | H14 | 111.2° | 111.0° |
| C24 | C25 | H15 | 111.3° | 111.0° |
| O4 | C4 | C3 | 121.4° | 120.0° |
| C4 | C3 | N2 | 117.5° | 120.3° |
| C4 | C3 | C2 | 120.3° | 120.3° |
| C3 | N2 | C14 | 119.1° | 122.2° |
| N2 | C3 | C2 | 122.3° | 119.5° |
| N2 | C14 | C15 | 118.3° | 118.7° |
| N2 | C14 | N4 | 120.8° | 122.6° |
| C14 | C15 | C26 | 111.5° | 109.9° |
| C15 | C14 | N4 | 120.9° | 118.7° |
| C14 | C15 | H5 | 109.2° | 109.8° |
| C15 | C26 | C25 | 105.4° | 103.0° |
| C26 | C15 | H5 | 108.7° | 109.9° |
| C15 | C26 | H16 | 110.5° | 110.8° |
| C15 | C26 | H17 | 110.5° | 110.7° |
| C3 | C2 | O2 | 123.9° | 121.1° |
| C3 | C2 | C1 | 119.8° | 117.7° |
| C14 | N4 | C1 | 121.4° | 120.1° |
| C14 | N4 | H24 | 119.3° | 119.9° |
| C26 | C25 | H14 | 111.3° | 111.0° |
| C26 | C25 | H15 | 111.3° | 111.0° |
| C25 | C26 | H16 | 110.5° | 110.7° |
| C25 | C26 | H17 | 110.5° | 110.7° |
| O2 | C2 | C1 | 116.3° | 121.1° |
| C2 | O2 | H25 | 109.5° | 114.0° |
| C2 | C1 | N4 | 116.7° | 118.0° |
| C2 | C1 | O1 | 123.6° | 121.0° |
| N4 | C1 | O1 | 119.8° | 121.0° |
| C1 | N4 | H24 | 119.3° | 120.0° |
| H3 | C13 | H4 | 109.5° | 110.9° |
| H6 | C17 | H7 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 110.4° |
| H14 | C25 | H15 | 109.5° | 110.9° |
| H16 | C26 | H17 | 109.5° | 110.8° |
| H18 | C5 | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H1 | 180.0° | 179.8° |
| C10 | C9 | C8 | H22 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C9 | C8 | C7 | 0.6° | 0.0° |
| C9 | C10 | C11 | H2 | 179.9° | 180.0° |
| C10 | C9 | C8 | H21 | 179.4° | 180.0° |
| C11 | C10 | C9 | C8 | 0.0° | 0.2° |
| C10 | C11 | C12 | H2 | 180.0° | 180.0° |
| C10 | C11 | C12 | C7 | 0.5° | 0.4° |
| C10 | C11 | C12 | C13 | 180.0° | 179.1° |
| C11 | C10 | C9 | H22 | 180.0° | 179.8° |
| C9 | C8 | C7 | H21 | 180.0° | 180.0° |
| C9 | C8 | C7 | C12 | 1.2° | 0.3° |
| C9 | C8 | C7 | O3 | 179.3° | 179.4° |
| C8 | C9 | C10 | H1 | 180.0° | 179.5° |
| C11 | C12 | C7 | C8 | 1.2° | 0.5° |
| C11 | C12 | C7 | C13 | 179.6° | 179.6° |
| C11 | C12 | C7 | O3 | 179.5° | 179.3° |
| C11 | C12 | C13 | C6 | 166.8° | 164.2° |
| C12 | C11 | C10 | H1 | 179.9° | 179.7° |
| C11 | C12 | C13 | H3 | 48.1° | 46.0° |
| C11 | C12 | C13 | H4 | 74.5° | 77.6° |
| C8 | C7 | C12 | O3 | 178.3° | 179.8° |
| C8 | C7 | C12 | C13 | 179.2° | 179.1° |
| C8 | C7 | O3 | C6 | 166.7° | 161.1° |
| C7 | C8 | C9 | H22 | 179.4° | 180.0° |
| C7 | C12 | C13 | C6 | 12.7° | 15.3° |
| C12 | C7 | O3 | C6 | 15.0° | 19.1° |
| C7 | C12 | C11 | H2 | 179.5° | 179.7° |
| C7 | C12 | C13 | H3 | 131.4° | 133.5° |
| C7 | C12 | C13 | H4 | 106.0° | 102.9° |
| C12 | C7 | C8 | H21 | 178.8° | 179.6° |
| C13 | C12 | C7 | O3 | 0.9° | 1.2° |
| C12 | C13 | C6 | H3 | 118.7° | 118.1° |
| C12 | C13 | C6 | H4 | 118.7° | 118.1° |
| C12 | C13 | C6 | O3 | 20.9° | 25.3° |
| C12 | C13 | C6 | C5 | 141.2° | 143.6° |
| C13 | C12 | C11 | H2 | 0.0° | 0.9° |
| C12 | C13 | H3 | H4 | 123.7° | 123.7° |
| C12 | C13 | C6 | H20 | 96.3° | 93.2° |
| C7 | O3 | C6 | C13 | 22.5° | 27.8° |
| C7 | O3 | C6 | C5 | 147.2° | 146.1° |
| C7 | O3 | C6 | H20 | 94.2° | 90.6° |
| O3 | C7 | C8 | H21 | 0.7° | 0.6° |
| C13 | C6 | O3 | C5 | 124.7° | 118.3° |
| C13 | C6 | O3 | H20 | 116.6° | 118.4° |
| C13 | C6 | C5 | H20 | 122.4° | 123.2° |
| C13 | C6 | C5 | N1 | 58.2° | 178.8° |
| C6 | C13 | H3 | H4 | 123.7° | 123.8° |
| C13 | C6 | C5 | H18 | 178.6° | 58.8° |
| C13 | C6 | C5 | H19 | 62.2° | 61.2° |
| O3 | C6 | C5 | H20 | 119.0° | 123.4° |
| O3 | C6 | C5 | N1 | 60.4° | 67.9° |
| O3 | C6 | C13 | H3 | 139.6° | 143.4° |
| O3 | C6 | C13 | H4 | 97.8° | 92.8° |
| O3 | C6 | C5 | H18 | 60.1° | 172.1° |
| O3 | C6 | C5 | H19 | 179.2° | 52.1° |
| S1 | C17 | C16 | O5 | 58.3° | 5.1° |
| S1 | C17 | C16 | H6 | 120.9° | 120.0° |
| S1 | C17 | C16 | H7 | 120.9° | 120.0° |
| C17 | S1 | C18 | C19 | 123.5° | 5.2° |
| C17 | S1 | C18 | C23 | 57.2° | 175.0° |
| S1 | C17 | C16 | N3 | 121.6° | 175.0° |
| S1 | C17 | H6 | H7 | 117.1° | 120.1° |
| C18 | S1 | C17 | C16 | 95.2° | 175.1° |
| S1 | C18 | C19 | C23 | 179.3° | 179.8° |
| S1 | C18 | C23 | CL1 | 0.4° | 0.2° |
| S1 | C18 | C19 | C20 | 179.8° | 179.7° |
| S1 | C18 | C23 | C22 | 179.9° | 179.8° |
| C18 | S1 | C17 | H6 | 143.9° | 55.1° |
| C18 | S1 | C17 | H7 | 25.7° | 65.0° |
| S1 | C18 | C19 | H8 | 0.2° | 0.2° |
| C6 | C5 | N1 | H18 | 120.4° | 120.1° |
| C6 | C5 | N1 | H19 | 120.4° | 120.0° |
| C6 | C5 | N1 | C4 | 114.1° | 175.0° |
| C5 | C6 | C13 | H3 | 100.1° | 98.3° |
| C5 | C6 | C13 | H4 | 22.5° | 25.5° |
| C6 | C5 | H18 | H19 | 118.8° | 120.0° |
| C6 | C5 | N1 | H23 | 65.9° | 5.0° |
| O5 | C16 | C17 | N3 | 179.9° | 180.0° |
| O5 | C16 | N3 | C24 | 50.3° | 174.9° |
| O5 | C16 | N3 | C15 | 125.2° | 5.0° |
| O5 | C16 | C17 | H6 | 62.6° | 125.1° |
| O5 | C16 | C17 | H7 | 179.3° | 115.0° |
| C17 | C16 | N3 | C24 | 129.8° | 5.1° |
| C17 | C16 | N3 | C15 | 54.7° | 175.0° |
| C16 | C17 | H6 | H7 | 117.1° | 119.9° |
| C19 | C18 | C23 | CL1 | 179.6° | 180.0° |
| C18 | C19 | C20 | H8 | 180.0° | 179.9° |
| C19 | C18 | C23 | C22 | 0.6° | 0.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.1° |
| C18 | C19 | C20 | H9 | 179.7° | 180.0° |
| C18 | C23 | CL1 | C22 | 179.7° | 180.0° |
| C23 | C18 | C19 | C20 | 0.6° | 0.1° |
| C18 | C23 | C22 | C21 | 0.4° | 0.1° |
| C23 | C18 | C19 | H8 | 179.5° | 180.0° |
| C18 | C23 | C22 | H11 | 179.6° | 179.9° |
| CL1 | C23 | C22 | C21 | 179.8° | 180.0° |
| CL1 | C23 | C22 | H11 | 0.2° | 0.0° |
| C16 | N3 | C24 | C15 | 176.2° | 179.9° |
| C16 | N3 | C24 | C25 | 132.6° | 155.9° |
| C16 | N3 | C15 | C14 | 86.4° | 61.5° |
| C16 | N3 | C15 | C26 | 152.6° | 179.0° |
| C16 | N3 | C15 | H5 | 37.4° | 59.5° |
| N3 | C16 | C17 | H6 | 117.5° | 55.0° |
| N3 | C16 | C17 | H7 | 0.6° | 65.0° |
| C16 | N3 | C24 | H12 | 14.2° | 85.2° |
| C16 | N3 | C24 | H13 | 109.0° | 37.1° |
| C19 | C20 | C21 | H9 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H10 | 180.0° | 180.0° |
| C5 | N1 | C4 | H23 | 180.0° | 180.0° |
| C5 | N1 | C4 | O4 | 4.2° | 5.0° |
| C5 | N1 | C4 | C3 | 174.3° | 175.1° |
| N1 | C5 | H18 | H19 | 118.8° | 120.0° |
| N1 | C5 | C6 | H20 | 179.4° | 55.6° |
| C23 | C22 | C21 | C20 | 0.1° | 0.1° |
| C23 | C22 | C21 | H11 | 180.0° | 180.0° |
| C23 | C22 | C21 | H10 | 179.9° | 179.9° |
| N1 | C4 | O4 | C3 | 178.4° | 179.9° |
| N1 | C4 | C3 | N2 | 0.8° | 5.3° |
| N1 | C4 | C3 | C2 | 179.2° | 174.8° |
| C4 | N1 | C5 | H18 | 125.5° | 64.9° |
| C4 | N1 | C5 | H19 | 6.3° | 55.0° |
| N3 | C24 | C25 | H12 | 118.3° | 118.8° |
| N3 | C24 | C25 | H13 | 118.4° | 118.9° |
| C24 | N3 | C15 | C14 | 97.6° | 118.4° |
| C24 | N3 | C15 | C26 | 23.5° | 1.1° |
| N3 | C24 | C25 | C26 | 44.7° | 37.0° |
| C24 | N3 | C15 | H5 | 138.7° | 120.6° |
| N3 | C24 | H12 | H13 | 124.6° | 122.4° |
| N3 | C24 | C25 | H14 | 74.2° | 81.1° |
| N3 | C24 | C25 | H15 | 163.5° | 155.1° |
| C15 | N3 | C24 | C25 | 43.6° | 24.2° |
| N3 | C15 | C14 | N2 | 18.4° | 117.5° |
| N3 | C15 | C14 | C26 | 115.8° | 117.8° |
| N3 | C15 | C14 | H5 | 124.0° | 121.1° |
| N3 | C15 | C26 | H5 | 115.9° | 119.5° |
| N3 | C15 | C14 | N4 | 164.3° | 62.0° |
| N3 | C15 | C26 | C25 | 5.9° | 22.2° |
| C15 | N3 | C24 | H12 | 161.9° | 94.7° |
| C15 | N3 | C24 | H13 | 74.8° | 143.0° |
| N3 | C15 | C26 | H16 | 113.4° | 96.2° |
| N3 | C15 | C26 | H17 | 125.3° | 140.5° |
| C20 | C21 | C22 | H10 | 180.0° | 180.0° |
| C21 | C20 | C19 | H8 | 179.8° | 180.0° |
| C20 | C21 | C22 | H11 | 179.9° | 179.9° |
| C22 | C21 | C20 | H9 | 179.9° | 180.0° |
| C24 | C25 | C26 | C15 | 31.8° | 35.5° |
| C24 | C25 | C26 | H14 | 118.8° | 118.1° |
| C24 | C25 | C26 | H15 | 118.8° | 118.1° |
| C25 | C24 | H12 | H13 | 124.6° | 122.2° |
| C24 | C25 | H14 | H15 | 123.4° | 123.9° |
| C24 | C25 | C26 | H16 | 87.6° | 82.9° |
| C24 | C25 | C26 | H17 | 151.1° | 153.9° |
| O4 | C4 | C3 | N2 | 179.3° | 174.8° |
| O4 | C4 | C3 | C2 | 0.6° | 5.1° |
| O4 | C4 | N1 | H23 | 175.8° | 175.0° |
| C4 | C3 | N2 | C2 | 180.0° | 179.9° |
| C4 | C3 | N2 | C14 | 179.0° | 179.9° |
| C4 | C3 | C2 | O2 | 0.2° | 0.1° |
| C4 | C3 | C2 | C1 | 179.9° | 179.9° |
| C3 | C4 | N1 | H23 | 5.7° | 4.9° |
| C3 | N2 | C14 | C15 | 179.1° | 179.7° |
| C3 | N2 | C14 | N4 | 1.7° | 0.2° |
| N2 | C3 | C2 | O2 | 179.9° | 180.0° |
| N2 | C3 | C2 | C1 | 0.1° | 0.0° |
| N2 | C14 | C15 | N4 | 177.3° | 179.5° |
| N2 | C14 | C15 | C26 | 97.5° | 124.7° |
| C14 | N2 | C3 | C2 | 1.0° | 0.0° |
| N2 | C14 | N4 | C1 | 1.6° | 0.5° |
| N2 | C14 | C15 | H5 | 142.4° | 3.6° |
| N2 | C14 | N4 | H24 | 178.5° | 180.0° |
| C14 | C15 | C26 | H5 | 120.4° | 121.0° |
| C14 | C15 | C26 | C25 | 129.6° | 141.6° |
| C15 | C14 | N4 | C1 | 178.8° | 180.0° |
| C14 | C15 | C26 | H16 | 10.2° | 23.3° |
| C14 | C15 | C26 | H17 | 111.1° | 100.0° |
| C15 | C14 | N4 | H24 | 1.2° | 0.5° |
| C26 | C15 | C14 | N4 | 79.9° | 55.8° |
| C15 | C26 | C25 | H16 | 119.4° | 118.4° |
| C15 | C26 | C25 | H17 | 119.3° | 118.4° |
| C15 | C26 | C25 | H14 | 87.0° | 82.6° |
| C15 | C26 | C25 | H15 | 150.6° | 153.6° |
| C15 | C26 | H16 | H17 | 121.9° | 123.3° |
| C3 | C2 | O2 | C1 | 179.9° | 180.0° |
| C3 | C2 | C1 | N4 | 0.1° | 0.3° |
| C3 | C2 | C1 | O1 | 179.9° | 180.0° |
| C3 | C2 | O2 | H25 | 0.4° | 180.0° |
| C14 | N4 | C1 | C2 | 0.6° | 0.5° |
| C14 | N4 | C1 | H24 | 180.0° | 179.4° |
| C14 | N4 | C1 | O1 | 179.2° | 179.7° |
| N4 | C14 | C15 | H5 | 40.3° | 176.9° |
| C25 | C26 | C15 | H5 | 110.0° | 97.4° |
| C26 | C25 | C24 | H12 | 163.0° | 81.8° |
| C26 | C25 | C24 | H13 | 73.7° | 156.0° |
| C26 | C25 | H14 | H15 | 123.4° | 123.9° |
| C25 | C26 | H16 | H17 | 121.9° | 123.2° |
| O2 | C2 | C1 | N4 | 179.9° | 179.8° |
| O2 | C2 | C1 | O1 | 0.1° | 0.0° |
| C2 | C1 | N4 | O1 | 179.8° | 179.7° |
| C2 | C1 | N4 | H24 | 179.4° | 180.0° |
| C1 | C2 | O2 | H25 | 179.7° | 0.0° |
| O1 | C1 | N4 | H24 | 0.8° | 0.3° |
| H1 | C10 | C11 | H2 | 0.1° | 0.3° |
| H1 | C10 | C9 | H22 | 0.0° | 0.4° |
| H3 | C13 | C6 | H20 | 22.4° | 24.8° |
| H4 | C13 | C6 | H20 | 145.0° | 148.6° |
| H5 | C15 | C26 | H16 | 130.7° | 144.3° |
| H5 | C15 | C26 | H17 | 9.4° | 21.0° |
| H8 | C19 | C20 | H9 | 0.3° | 0.0° |
| H9 | C20 | C21 | H10 | 0.0° | 0.0° |
| H10 | C21 | C22 | H11 | 0.1° | 0.1° |
| H12 | C24 | C25 | H14 | 44.2° | 160.1° |
| H12 | C24 | C25 | H15 | 78.2° | 36.3° |
| H13 | C24 | C25 | H14 | 167.5° | 37.9° |
| H13 | C24 | C25 | H15 | 45.1° | 86.0° |
| H14 | C25 | C26 | H16 | 153.6° | 159.0° |
| H14 | C25 | C26 | H17 | 32.3° | 35.8° |
| H15 | C25 | C26 | H16 | 31.2° | 35.2° |
| H15 | C25 | C26 | H17 | 90.1° | 88.0° |
| H18 | C5 | C6 | H20 | 59.0° | 64.4° |
| H18 | C5 | N1 | H23 | 54.5° | 115.1° |
| H19 | C5 | C6 | H20 | 60.2° | 175.6° |
| H19 | C5 | N1 | H23 | 173.7° | 125.0° |
| H21 | C8 | C9 | H22 | 0.6° | 0.0° |
