KU9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| S1 | C17 | sing | 1.81Å | 1.81Å | |
| S1 | C18 | sing | 1.76Å | 1.77Å | |
| C6 | C5 | sing | 1.54Å | 1.54Å | |
| C13 | C5 | sing | 1.54Å | 1.54Å | |
| O4 | C16 | doub | 1.21Å | 1.23Å | |
| CL1 | C23 | sing | 1.74Å | 1.73Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C5 | N1 | sing | 1.47Å | 1.45Å | |
| C18 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | N3 | sing | 1.35Å | 1.34Å | |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C4 | sing | 1.35Å | 1.34Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C24 | sing | 1.47Å | 1.47Å | |
| N3 | C15 | sing | 1.47Å | 1.47Å | |
| C4 | O3 | doub | 1.22Å | 1.23Å | |
| C4 | C3 | sing | 1.48Å | 1.50Å | |
| N2 | C3 | sing | 1.34Å | 1.34Å | |
| N2 | C14 | doub | 1.30Å | 1.34Å | |
| C24 | C25 | sing | 1.55Å | 1.52Å | |
| C3 | C2 | doub | 1.39Å | 1.36Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | C26 | sing | 1.54Å | 1.53Å | |
| C14 | N4 | sing | 1.36Å | 1.37Å | |
| C2 | O2 | sing | 1.36Å | 1.34Å | |
| C2 | C1 | sing | 1.47Å | 1.39Å | |
| C26 | C25 | sing | 1.55Å | 1.52Å | |
| 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 | |
| C6 | 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) |
| C10 | C9 | C8 | 120.8° | 119.9° |
| C9 | C10 | C11 | 120.7° | 120.0° |
| C9 | C10 | H1 | 119.6° | 120.1° |
| C10 | C9 | H22 | 119.6° | 120.1° |
| C9 | C8 | C7 | 118.8° | 120.2° |
| C9 | C8 | H21 | 120.6° | 119.9° |
| C8 | C9 | H22 | 119.6° | 120.0° |
| C10 | C11 | C12 | 118.7° | 120.2° |
| C11 | C10 | H1 | 119.7° | 120.0° |
| C10 | C11 | H2 | 120.6° | 119.9° |
| C8 | C7 | C12 | 120.4° | 119.8° |
| C8 | C7 | C6 | 130.0° | 130.4° |
| C7 | C8 | H21 | 120.6° | 119.9° |
| C11 | C12 | C7 | 120.6° | 119.9° |
| C11 | C12 | C13 | 129.9° | 130.4° |
| C12 | C11 | H2 | 120.6° | 119.9° |
| C12 | C7 | C6 | 109.6° | 109.8° |
| C7 | C12 | C13 | 109.6° | 109.7° |
| C7 | C6 | C5 | 102.3° | 105.2° |
| C7 | C6 | H19 | 111.3° | 110.3° |
| C7 | C6 | H20 | 111.2° | 110.4° |
| C12 | C13 | C5 | 102.4° | 105.1° |
| C12 | C13 | H3 | 111.2° | 110.3° |
| C12 | C13 | H4 | 111.2° | 110.3° |
| C17 | S1 | C18 | 103.4° | 103.0° |
| S1 | C17 | C16 | 114.2° | 109.5° |
| S1 | C17 | H6 | 108.3° | 109.5° |
| S1 | C17 | H7 | 108.3° | 109.5° |
| S1 | C18 | C23 | 121.2° | 120.1° |
| S1 | C18 | C19 | 119.9° | 120.1° |
| C6 | C5 | C13 | 102.1° | 102.4° |
| C6 | C5 | N1 | 111.1° | 110.8° |
| C6 | C5 | H18 | 110.5° | 111.0° |
| C5 | C6 | H19 | 111.2° | 110.4° |
| C5 | C6 | H20 | 111.3° | 110.3° |
| C13 | C5 | N1 | 110.3° | 110.8° |
| C5 | C13 | H3 | 111.2° | 110.3° |
| C5 | C13 | H4 | 111.2° | 110.3° |
| C13 | C5 | H18 | 110.5° | 110.9° |
| O4 | C16 | C17 | 120.3° | 120.0° |
| O4 | C16 | N3 | 120.9° | 120.0° |
| CL1 | C23 | C18 | 120.4° | 120.1° |
| CL1 | C23 | C22 | 118.6° | 120.0° |
| C17 | C16 | N3 | 118.8° | 120.0° |
| C16 | C17 | H6 | 108.3° | 109.4° |
| C16 | C17 | H7 | 108.3° | 109.5° |
| C5 | N1 | C4 | 123.0° | 120.0° |
| N1 | C5 | H18 | 111.9° | 110.7° |
| C5 | N1 | H23 | 118.5° | 120.0° |
| C23 | C18 | C19 | 118.9° | 119.8° |
| C18 | C23 | C22 | 120.9° | 120.0° |
| C18 | C19 | C20 | 120.0° | 119.9° |
| C18 | C19 | H8 | 120.0° | 120.1° |
| C16 | N3 | C24 | 124.7° | 125.6° |
| C16 | N3 | C15 | 124.0° | 125.6° |
| C23 | C22 | C21 | 119.4° | 120.0° |
| C23 | C22 | H11 | 120.3° | 120.0° |
| C19 | C20 | C21 | 120.2° | 120.1° |
| C20 | C19 | H8 | 120.0° | 120.0° |
| C19 | C20 | H9 | 119.9° | 120.0° |
| N1 | C4 | O3 | 122.5° | 120.0° |
| N1 | C4 | C3 | 115.8° | 120.0° |
| C4 | N1 | H23 | 118.5° | 120.0° |
| C22 | C21 | C20 | 120.5° | 120.2° |
| C22 | C21 | H10 | 119.8° | 119.9° |
| C21 | C22 | H11 | 120.3° | 120.0° |
| C21 | C20 | H9 | 119.9° | 120.0° |
| C20 | C21 | H10 | 119.7° | 119.9° |
| C24 | N3 | C15 | 111.2° | 108.7° |
| N3 | C24 | C25 | 103.4° | 104.8° |
| N3 | C24 | H12 | 111.0° | 110.4° |
| N3 | C24 | H13 | 111.0° | 110.5° |
| N3 | C15 | C14 | 112.3° | 109.9° |
| N3 | C15 | C26 | 98.9° | 107.2° |
| N3 | C15 | H5 | 111.7° | 110.0° |
| O3 | C4 | C3 | 121.7° | 120.0° |
| C4 | C3 | N2 | 117.0° | 120.3° |
| C4 | C3 | C2 | 120.9° | 120.2° |
| C3 | N2 | C14 | 119.3° | 122.2° |
| N2 | C3 | C2 | 122.1° | 119.5° |
| N2 | C14 | C15 | 117.8° | 118.7° |
| N2 | C14 | N4 | 120.6° | 122.6° |
| C24 | C25 | C26 | 102.2° | 101.6° |
| C25 | C24 | H12 | 110.9° | 110.4° |
| C25 | C24 | H13 | 110.9° | 110.4° |
| C24 | C25 | H14 | 111.3° | 111.0° |
| C24 | C25 | H15 | 111.3° | 110.9° |
| C3 | C2 | O2 | 123.9° | 121.2° |
| C3 | C2 | C1 | 119.8° | 117.7° |
| C14 | C15 | C26 | 111.5° | 109.9° |
| C15 | C14 | N4 | 121.6° | 118.7° |
| C14 | C15 | H5 | 111.1° | 109.9° |
| C15 | C26 | C25 | 101.0° | 103.0° |
| C26 | C15 | H5 | 110.8° | 109.9° |
| C15 | C26 | H16 | 111.6° | 110.7° |
| C15 | C26 | H17 | 111.6° | 110.7° |
| C14 | N4 | C1 | 121.5° | 120.1° |
| C14 | N4 | H24 | 119.3° | 119.9° |
| O2 | C2 | C1 | 116.3° | 121.1° |
| C2 | O2 | H25 | 109.5° | 114.0° |
| C2 | C1 | N4 | 116.6° | 118.0° |
| C2 | C1 | O1 | 123.7° | 121.0° |
| C26 | C25 | H14 | 111.3° | 111.0° |
| C26 | C25 | H15 | 111.2° | 111.0° |
| C25 | C26 | H16 | 111.6° | 110.7° |
| C25 | C26 | H17 | 111.5° | 110.7° |
| N4 | C1 | O1 | 119.6° | 121.1° |
| C1 | N4 | H24 | 119.2° | 120.0° |
| H3 | C13 | H4 | 109.5° | 110.4° |
| H6 | C17 | H7 | 109.5° | 109.5° |
| H12 | C24 | H13 | 109.5° | 110.3° |
| H14 | C25 | H15 | 109.4° | 110.9° |
| H16 | C26 | H17 | 109.4° | 110.8° |
| H19 | C6 | H20 | 109.4° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H22 | 180.0° | 179.5° |
| C9 | C10 | C11 | H1 | 180.0° | 179.8° |
| C10 | C9 | C8 | C7 | 0.5° | 0.5° |
| C9 | C10 | C11 | C12 | 0.0° | 0.2° |
| C9 | C10 | C11 | H2 | 179.9° | 179.8° |
| C10 | C9 | C8 | H21 | 179.5° | 179.8° |
| C8 | C9 | C10 | C11 | 0.1° | 0.5° |
| C9 | C8 | C7 | H21 | 180.0° | 179.7° |
| C9 | C8 | C7 | C12 | 0.8° | 0.3° |
| C9 | C8 | C7 | C6 | 179.7° | 179.8° |
| C8 | C9 | C10 | H1 | 179.9° | 179.7° |
| C10 | C11 | C12 | H2 | 180.0° | 179.9° |
| C10 | C11 | C12 | C7 | 0.3° | 0.1° |
| C10 | C11 | C12 | C13 | 180.0° | 180.0° |
| C11 | C10 | C9 | H22 | 179.9° | 180.0° |
| C8 | C7 | C12 | C11 | 0.7° | 0.0° |
| C8 | C7 | C12 | C6 | 179.1° | 179.9° |
| C8 | C7 | C12 | C13 | 179.5° | 179.9° |
| C8 | C7 | C6 | C5 | 158.0° | 162.8° |
| C8 | C7 | C6 | H19 | 83.2° | 78.2° |
| C8 | C7 | C6 | H20 | 39.1° | 43.9° |
| C7 | C8 | C9 | H22 | 179.5° | 179.9° |
| C11 | C12 | C7 | C13 | 179.8° | 179.9° |
| C11 | C12 | C7 | C6 | 179.8° | 179.9° |
| C11 | C12 | C13 | C5 | 157.4° | 162.9° |
| C12 | C11 | C10 | H1 | 180.0° | 180.0° |
| C11 | C12 | C13 | H3 | 38.5° | 78.2° |
| C11 | C12 | C13 | H4 | 83.8° | 43.9° |
| C12 | C7 | C6 | C5 | 23.0° | 17.2° |
| C7 | C12 | C13 | C5 | 22.4° | 17.2° |
| C7 | C12 | C11 | H2 | 179.8° | 180.0° |
| C7 | C12 | C13 | H3 | 141.3° | 101.7° |
| C7 | C12 | C13 | H4 | 96.4° | 136.1° |
| C12 | C7 | C6 | H19 | 95.8° | 101.7° |
| C12 | C7 | C6 | H20 | 141.9° | 136.2° |
| C12 | C7 | C8 | H21 | 179.2° | 180.0° |
| C6 | C7 | C12 | C13 | 0.4° | 0.0° |
| C7 | C6 | C5 | H19 | 118.9° | 118.9° |
| C7 | C6 | C5 | H20 | 118.9° | 119.0° |
| C7 | C6 | C5 | C13 | 35.5° | 26.4° |
| C7 | C6 | C5 | N1 | 82.1° | 144.6° |
| C7 | C6 | C5 | H18 | 153.0° | 92.0° |
| C7 | C6 | H19 | H20 | 123.3° | 122.1° |
| C6 | C7 | C8 | H21 | 0.3° | 0.1° |
| C12 | C13 | C5 | C6 | 35.2° | 26.4° |
| C12 | C13 | C5 | H3 | 118.8° | 118.9° |
| C12 | C13 | C5 | H4 | 118.9° | 118.9° |
| C12 | C13 | C5 | N1 | 82.9° | 144.6° |
| C13 | C12 | C11 | H2 | 0.0° | 0.1° |
| C12 | C13 | H3 | H4 | 123.3° | 122.1° |
| C12 | C13 | C5 | H18 | 152.8° | 92.1° |
| S1 | C17 | C16 | O4 | 69.9° | 0.0° |
| S1 | C17 | C16 | H6 | 120.7° | 120.0° |
| S1 | C17 | C16 | H7 | 120.7° | 120.0° |
| C17 | S1 | C18 | C23 | 126.3° | 180.0° |
| C17 | S1 | C18 | C19 | 53.5° | 0.3° |
| S1 | C17 | C16 | N3 | 109.4° | 180.0° |
| S1 | C17 | H6 | H7 | 117.9° | 120.0° |
| S1 | C18 | C23 | CL1 | 0.2° | 0.2° |
| C18 | S1 | C17 | C16 | 99.9° | 180.0° |
| S1 | C18 | C23 | C19 | 179.8° | 179.7° |
| S1 | C18 | C23 | C22 | 179.8° | 179.7° |
| S1 | C18 | C19 | C20 | 179.9° | 179.7° |
| C18 | S1 | C17 | H6 | 20.8° | 60.0° |
| C18 | S1 | C17 | H7 | 139.5° | 60.0° |
| S1 | C18 | C19 | H8 | 0.1° | 0.3° |
| C6 | C5 | C13 | N1 | 118.2° | 118.2° |
| C6 | C5 | C13 | H18 | 117.6° | 118.5° |
| C6 | C5 | N1 | H18 | 124.1° | 123.6° |
| C6 | C5 | N1 | C4 | 70.9° | 92.1° |
| C6 | C5 | C13 | H3 | 154.1° | 92.5° |
| C6 | C5 | C13 | H4 | 83.6° | 145.3° |
| C5 | C6 | H19 | H20 | 123.3° | 122.1° |
| C6 | C5 | N1 | H23 | 109.1° | 88.0° |
| C13 | C5 | N1 | H18 | 123.5° | 123.4° |
| C13 | C5 | N1 | C4 | 176.7° | 155.0° |
| C5 | C13 | H3 | H4 | 123.3° | 122.2° |
| C13 | C5 | C6 | H19 | 83.4° | 92.5° |
| C13 | C5 | C6 | H20 | 154.3° | 145.4° |
| C13 | C5 | N1 | H23 | 3.3° | 25.0° |
| O4 | C16 | C17 | N3 | 179.3° | 179.9° |
| O4 | C16 | N3 | C24 | 31.0° | 180.0° |
| O4 | C16 | N3 | C15 | 153.4° | 0.1° |
| O4 | C16 | C17 | H6 | 169.4° | 120.1° |
| O4 | C16 | C17 | H7 | 50.8° | 120.0° |
| CL1 | C23 | C18 | C22 | 180.0° | 180.0° |
| CL1 | C23 | C18 | C19 | 180.0° | 180.0° |
| CL1 | C23 | C22 | C21 | 179.9° | 180.0° |
| CL1 | C23 | C22 | H11 | 0.1° | 0.1° |
| C17 | C16 | N3 | C24 | 149.7° | 0.1° |
| C17 | C16 | N3 | C15 | 25.9° | 180.0° |
| C16 | C17 | H6 | H7 | 117.8° | 120.0° |
| C5 | N1 | C4 | H23 | 180.0° | 179.9° |
| C5 | N1 | C4 | O3 | 2.8° | 0.1° |
| C5 | N1 | C4 | C3 | 177.8° | 180.0° |
| N1 | C5 | C13 | H3 | 35.9° | 25.7° |
| N1 | C5 | C13 | H4 | 158.2° | 96.5° |
| N1 | C5 | C6 | H19 | 159.0° | 25.7° |
| N1 | C5 | C6 | H20 | 36.8° | 96.4° |
| C23 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C23 | C22 | C21 | 0.0° | 0.0° |
| C23 | C18 | C19 | H8 | 179.9° | 180.0° |
| C18 | C23 | C22 | H11 | 180.0° | 179.9° |
| C19 | C18 | C23 | C22 | 0.0° | 0.0° |
| C18 | C19 | C20 | H8 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H9 | 179.9° | 180.0° |
| C16 | N3 | C24 | C15 | 176.1° | 179.9° |
| C16 | N3 | C24 | C25 | 173.8° | 155.9° |
| C16 | N3 | C15 | C14 | 96.1° | 61.6° |
| C16 | N3 | C15 | C26 | 146.2° | 179.0° |
| C16 | N3 | C15 | H5 | 29.5° | 59.6° |
| N3 | C16 | C17 | H6 | 11.3° | 60.0° |
| N3 | C16 | C17 | H7 | 129.9° | 60.0° |
| C16 | N3 | C24 | H12 | 54.8° | 85.2° |
| C16 | N3 | C24 | H13 | 67.2° | 37.1° |
| C23 | C22 | C21 | H11 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.1° | 0.0° |
| C23 | C22 | C21 | H10 | 179.9° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C19 | C20 | C21 | H9 | 180.0° | 180.0° |
| C19 | C20 | C21 | H10 | 180.0° | 180.0° |
| N1 | C4 | O3 | C3 | 179.4° | 179.9° |
| N1 | C4 | C3 | N2 | 4.8° | 0.1° |
| N1 | C4 | C3 | C2 | 175.6° | 180.0° |
| C4 | N1 | C5 | H18 | 53.2° | 31.5° |
| C22 | C21 | C20 | H10 | 180.0° | 180.0° |
| C22 | C21 | C20 | H9 | 180.0° | 180.0° |
| C21 | C20 | C19 | H8 | 179.9° | 180.0° |
| C20 | C21 | C22 | H11 | 179.9° | 179.9° |
| N3 | C24 | C25 | H12 | 119.0° | 118.8° |
| N3 | C24 | C25 | H13 | 119.0° | 118.9° |
| C24 | N3 | C15 | C14 | 87.8° | 118.3° |
| C24 | N3 | C15 | C26 | 29.9° | 1.1° |
| N3 | C24 | C25 | C26 | 26.9° | 37.0° |
| C24 | N3 | C15 | H5 | 146.6° | 120.5° |
| N3 | C24 | H12 | H13 | 122.8° | 122.4° |
| N3 | C24 | C25 | H14 | 145.8° | 81.1° |
| N3 | C24 | C25 | H15 | 91.9° | 155.1° |
| N3 | C15 | C14 | N2 | 7.2° | 5.2° |
| C15 | N3 | C24 | C25 | 2.3° | 24.2° |
| N3 | C15 | C14 | C26 | 109.9° | 117.8° |
| N3 | C15 | C14 | H5 | 126.0° | 121.2° |
| N3 | C15 | C26 | H5 | 117.4° | 119.5° |
| N3 | C15 | C14 | N4 | 172.3° | 174.2° |
| N3 | C15 | C26 | C25 | 45.3° | 22.2° |
| C15 | N3 | C24 | H12 | 121.3° | 94.7° |
| C15 | N3 | C24 | H13 | 116.7° | 143.0° |
| N3 | C15 | C26 | H16 | 163.9° | 96.2° |
| N3 | C15 | C26 | H17 | 73.3° | 140.5° |
| O3 | C4 | C3 | N2 | 174.6° | 180.0° |
| O3 | C4 | C3 | C2 | 5.0° | 0.1° |
| O3 | C4 | N1 | H23 | 177.2° | 180.0° |
| C4 | C3 | N2 | C2 | 179.6° | 179.9° |
| C4 | C3 | N2 | C14 | 179.9° | 180.0° |
| C4 | C3 | C2 | O2 | 0.5° | 0.1° |
| C4 | C3 | C2 | C1 | 179.9° | 179.9° |
| C3 | C4 | N1 | H23 | 2.2° | 0.1° |
| C3 | N2 | C14 | C15 | 179.7° | 179.7° |
| C3 | N2 | C14 | N4 | 0.2° | 0.4° |
| N2 | C3 | C2 | O2 | 179.9° | 180.0° |
| N2 | C3 | C2 | C1 | 0.2° | 0.0° |
| C14 | N2 | C3 | C2 | 0.3° | 0.1° |
| N2 | C14 | C15 | N4 | 179.5° | 179.4° |
| N2 | C14 | C15 | C26 | 117.1° | 122.9° |
| N2 | C14 | N4 | C1 | 0.1° | 0.6° |
| N2 | C14 | C15 | H5 | 118.7° | 116.0° |
| N2 | C14 | N4 | H24 | 179.9° | 180.0° |
| C24 | C25 | C26 | C15 | 45.5° | 35.5° |
| C24 | C25 | C26 | H14 | 118.9° | 118.1° |
| C24 | C25 | C26 | H15 | 118.8° | 118.0° |
| C25 | C24 | H12 | H13 | 122.8° | 122.3° |
| C24 | C25 | H14 | H15 | 123.4° | 123.8° |
| C24 | C25 | C26 | H16 | 164.1° | 82.9° |
| C24 | C25 | C26 | H17 | 73.2° | 153.9° |
| C3 | C2 | O2 | C1 | 179.7° | 180.0° |
| C3 | C2 | C1 | N4 | 0.1° | 0.3° |
| C3 | C2 | C1 | O1 | 179.8° | 179.9° |
| C3 | C2 | O2 | H25 | 2.4° | 179.9° |
| C14 | C15 | C26 | H5 | 124.3° | 121.1° |
| C14 | C15 | C26 | C25 | 73.0° | 141.6° |
| C15 | C14 | N4 | C1 | 179.6° | 180.0° |
| C14 | C15 | C26 | H16 | 45.6° | 23.2° |
| C14 | C15 | C26 | H17 | 168.4° | 100.0° |
| C15 | C14 | N4 | H24 | 0.4° | 0.6° |
| C26 | C15 | C14 | N4 | 62.3° | 56.5° |
| C15 | C26 | C25 | H16 | 118.6° | 118.4° |
| C15 | C26 | C25 | H17 | 118.6° | 118.3° |
| C15 | C26 | C25 | H14 | 164.3° | 82.6° |
| C15 | C26 | C25 | H15 | 73.4° | 153.6° |
| C15 | C26 | H16 | H17 | 124.0° | 123.2° |
| C14 | N4 | C1 | C2 | 0.1° | 0.6° |
| C14 | N4 | C1 | H24 | 180.0° | 179.4° |
| C14 | N4 | C1 | O1 | 179.8° | 179.7° |
| N4 | C14 | C15 | H5 | 61.8° | 64.6° |
| O2 | C2 | C1 | N4 | 179.8° | 179.7° |
| O2 | C2 | C1 | O1 | 0.1° | 0.0° |
| C2 | C1 | N4 | O1 | 179.9° | 179.8° |
| C2 | C1 | N4 | H24 | 179.9° | 180.0° |
| C1 | C2 | O2 | H25 | 177.9° | 0.0° |
| C25 | C26 | C15 | H5 | 162.7° | 97.3° |
| C26 | C25 | C24 | H12 | 92.1° | 81.8° |
| C26 | C25 | C24 | H13 | 145.9° | 156.0° |
| C26 | C25 | H14 | H15 | 123.3° | 124.0° |
| C25 | C26 | H16 | H17 | 123.9° | 123.2° |
| O1 | C1 | N4 | H24 | 0.2° | 0.3° |
| H1 | C10 | C11 | H2 | 0.1° | 0.1° |
| H1 | C10 | C9 | H22 | 0.1° | 0.1° |
| H3 | C13 | C5 | H18 | 88.3° | 149.0° |
| H4 | C13 | C5 | H18 | 34.0° | 26.8° |
| H5 | C15 | C26 | H16 | 78.7° | 144.3° |
| H5 | C15 | C26 | H17 | 44.1° | 21.0° |
| H8 | C19 | C20 | H9 | 0.1° | 0.0° |
| H9 | C20 | C21 | H10 | 0.0° | 0.0° |
| H10 | C21 | C22 | H11 | 0.1° | 0.1° |
| H12 | C24 | C25 | H14 | 26.7° | 160.1° |
| H12 | C24 | C25 | H15 | 149.1° | 36.3° |
| H13 | C24 | C25 | H14 | 95.2° | 37.8° |
| H13 | C24 | C25 | H15 | 27.1° | 86.0° |
| H14 | C25 | C26 | H16 | 77.0° | 159.0° |
| H14 | C25 | C26 | H17 | 45.7° | 35.8° |
| H15 | C25 | C26 | H16 | 45.3° | 35.1° |
| H15 | C25 | C26 | H17 | 168.0° | 88.1° |
| H18 | C5 | C6 | H19 | 34.2° | 149.1° |
| H18 | C5 | C6 | H20 | 88.1° | 27.0° |
| H18 | C5 | N1 | H23 | 126.8° | 148.4° |
| H21 | C8 | C9 | H22 | 0.5° | 0.2° |
