YOR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.37Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.41Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | S | sing | 1.76Å | 1.75Å | Aromatic |
| C26 | C19 | sing | 1.46Å | 1.47Å | Aromatic |
| S | C20 | sing | 1.70Å | 1.70Å | Aromatic |
| O3 | C18 | doub | 1.22Å | 1.22Å | |
| C19 | C20 | doub | 1.34Å | 1.35Å | Aromatic |
| C19 | C18 | sing | 1.47Å | 1.48Å | |
| C18 | N3 | sing | 1.35Å | 1.35Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| N3 | C17 | sing | 1.40Å | 1.40Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C27 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C27 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C9 | sing | 1.34Å | 1.35Å | |
| C10 | C9 | sing | 1.48Å | 1.48Å | |
| C10 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N2 | sing | 1.40Å | 1.40Å | |
| C9 | O1 | doub | 1.22Å | 1.22Å | |
| N2 | C13 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.54Å | 1.54Å | |
| C13 | C15 | sing | 1.54Å | 1.54Å | |
| C14 | O2 | sing | 1.44Å | 1.44Å | |
| C15 | O2 | sing | 1.44Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 120.0° | 120.2° |
| C23 | C24 | C25 | 120.5° | 120.3° |
| C23 | C24 | H12 | 119.7° | 119.8° |
| C24 | C23 | H22 | 120.0° | 119.9° |
| C23 | C22 | C21 | 120.3° | 120.3° |
| C23 | C22 | H11 | 119.8° | 119.9° |
| C22 | C23 | H22 | 120.0° | 119.9° |
| C24 | C25 | C26 | 120.7° | 120.3° |
| C25 | C24 | H12 | 119.8° | 119.9° |
| C24 | C25 | H23 | 119.6° | 119.8° |
| C22 | C21 | C26 | 120.3° | 119.7° |
| C22 | C21 | S | 129.7° | 130.5° |
| C21 | C22 | H11 | 119.8° | 119.8° |
| C25 | C26 | C21 | 118.1° | 119.1° |
| C25 | C26 | C19 | 130.7° | 129.8° |
| C26 | C25 | H23 | 119.6° | 119.9° |
| C26 | C21 | S | 110.0° | 109.8° |
| C21 | C26 | C19 | 111.1° | 111.1° |
| C21 | S | C20 | 92.8° | 93.0° |
| C26 | C19 | C20 | 112.8° | 113.9° |
| C26 | C19 | C18 | 124.2° | 123.1° |
| S | C20 | C19 | 113.2° | 112.2° |
| S | C20 | H10 | 123.4° | 123.8° |
| O3 | C18 | C19 | 120.4° | 120.0° |
| O3 | C18 | N3 | 119.2° | 120.0° |
| C20 | C19 | C18 | 123.0° | 123.0° |
| C19 | C20 | H10 | 123.4° | 123.9° |
| C19 | C18 | N3 | 120.4° | 120.0° |
| C18 | N3 | C17 | 123.1° | 120.0° |
| C18 | N3 | H2 | 118.4° | 120.0° |
| C1 | C2 | C3 | 117.8° | 120.0° |
| C1 | C2 | C7 | 122.1° | 120.0° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| N3 | C17 | C27 | 118.9° | 120.0° |
| N3 | C17 | C16 | 121.3° | 120.1° |
| C17 | N3 | H2 | 118.4° | 120.0° |
| C3 | C2 | C7 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.4° | 120.0° |
| C2 | C3 | H16 | 119.8° | 120.0° |
| C2 | C7 | C8 | 119.7° | 120.0° |
| C2 | C7 | C6 | 119.0° | 120.0° |
| C27 | C17 | C16 | 119.7° | 119.9° |
| C17 | C27 | C8 | 132.3° | 133.2° |
| C17 | C27 | C10 | 120.7° | 120.4° |
| C17 | C16 | C12 | 120.5° | 120.0° |
| C17 | C16 | H21 | 119.8° | 120.0° |
| C27 | C8 | C7 | 112.9° | 110.1° |
| C27 | C8 | N1 | 105.8° | 106.2° |
| C8 | C27 | C10 | 107.0° | 106.5° |
| C27 | C8 | H6 | 107.9° | 110.1° |
| C7 | C8 | N1 | 113.9° | 110.1° |
| C8 | C7 | C6 | 121.3° | 120.0° |
| C7 | C8 | H6 | 107.8° | 110.2° |
| C8 | N1 | C9 | 108.8° | 108.8° |
| C8 | N1 | H1 | 125.6° | 125.6° |
| N1 | C8 | H6 | 108.4° | 110.1° |
| C27 | C10 | C9 | 107.9° | 108.2° |
| C27 | C10 | C11 | 119.5° | 119.5° |
| C16 | C12 | C11 | 119.6° | 120.3° |
| C16 | C12 | N2 | 118.3° | 119.9° |
| C12 | C16 | H21 | 119.7° | 120.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C3 | C4 | H3 | 120.0° | 120.0° |
| C4 | C3 | H16 | 119.8° | 120.0° |
| C7 | C6 | C5 | 120.6° | 120.0° |
| C7 | C6 | H5 | 119.7° | 120.0° |
| N1 | C9 | C10 | 110.4° | 110.3° |
| N1 | C9 | O1 | 124.9° | 124.9° |
| C9 | N1 | H1 | 125.6° | 125.7° |
| C9 | C10 | C11 | 132.5° | 132.2° |
| C10 | C9 | O1 | 124.7° | 124.8° |
| C10 | C11 | C12 | 120.0° | 119.9° |
| C10 | C11 | H17 | 120.0° | 120.1° |
| C11 | C12 | N2 | 122.1° | 119.9° |
| C12 | C11 | H17 | 120.0° | 120.0° |
| C12 | N2 | C13 | 122.4° | 120.0° |
| C12 | N2 | H18 | 106.2° | 120.0° |
| N2 | C13 | C14 | 113.7° | 113.8° |
| N2 | C13 | C15 | 113.9° | 113.8° |
| N2 | C13 | H7 | 114.3° | 113.1° |
| C13 | N2 | H18 | 106.1° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.1° |
| C5 | C4 | H3 | 120.0° | 120.1° |
| C4 | C5 | H4 | 120.0° | 119.9° |
| C6 | C5 | H4 | 120.0° | 120.0° |
| C5 | C6 | H5 | 119.7° | 120.0° |
| C14 | C13 | C15 | 85.7° | 85.8° |
| C13 | C14 | O2 | 85.4° | 85.5° |
| C14 | C13 | H7 | 113.1° | 113.8° |
| C13 | C14 | H19 | 115.1° | 113.9° |
| C13 | C14 | H20 | 115.1° | 113.8° |
| C13 | C15 | O2 | 85.4° | 85.5° |
| C15 | C13 | H7 | 113.1° | 113.8° |
| C13 | C15 | H8 | 115.1° | 113.8° |
| C13 | C15 | H9 | 115.1° | 113.9° |
| C14 | O2 | C15 | 93.1° | 93.3° |
| O2 | C14 | H19 | 115.1° | 113.9° |
| O2 | C14 | H20 | 115.1° | 113.8° |
| O2 | C15 | H8 | 115.1° | 113.8° |
| O2 | C15 | H9 | 115.1° | 113.9° |
| H8 | C15 | H9 | 109.4° | 113.1° |
| H13 | C1 | H14 | 109.4° | 109.4° |
| H13 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 113.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H22 | 180.0° | 180.0° |
| C23 | C24 | C25 | H12 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.1° | 0.1° |
| C23 | C24 | C25 | C26 | 0.1° | 0.1° |
| C24 | C23 | C22 | H11 | 179.9° | 179.9° |
| C23 | C24 | C25 | H23 | 179.8° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C22 | C21 | H11 | 180.0° | 179.9° |
| C23 | C22 | C21 | C26 | 0.1° | 0.0° |
| C23 | C22 | C21 | S | 180.0° | 179.8° |
| C22 | C23 | C24 | H12 | 179.8° | 179.9° |
| C24 | C25 | C26 | H23 | 180.0° | 179.9° |
| C24 | C25 | C26 | C21 | 0.1° | 0.1° |
| C24 | C25 | C26 | C19 | 179.8° | 180.0° |
| C25 | C24 | C23 | H22 | 179.8° | 180.0° |
| C22 | C21 | C26 | C25 | 0.0° | 0.0° |
| C22 | C21 | C26 | S | 180.0° | 179.9° |
| C22 | C21 | C26 | C19 | 179.9° | 180.0° |
| C22 | C21 | S | C20 | 179.9° | 179.9° |
| C21 | C22 | C23 | H22 | 179.9° | 179.9° |
| C25 | C26 | C21 | C19 | 179.9° | 180.0° |
| C25 | C26 | C21 | S | 180.0° | 179.9° |
| C25 | C26 | C19 | C20 | 180.0° | 179.9° |
| C25 | C26 | C19 | C18 | 0.5° | 0.1° |
| C26 | C25 | C24 | H12 | 179.8° | 180.0° |
| C26 | C21 | S | C20 | 0.1° | 0.2° |
| C21 | C26 | C19 | C20 | 0.1° | 0.1° |
| C21 | C26 | C19 | C18 | 179.6° | 179.9° |
| C26 | C21 | C22 | H11 | 179.9° | 179.9° |
| C21 | C26 | C25 | H23 | 179.9° | 180.0° |
| S | C21 | C26 | C19 | 0.1° | 0.1° |
| C21 | S | C20 | C19 | 0.0° | 0.2° |
| C21 | S | C20 | H10 | 180.0° | 180.0° |
| S | C21 | C22 | H11 | 0.0° | 0.0° |
| C26 | C19 | C20 | S | 0.1° | 0.2° |
| C26 | C19 | C18 | O3 | 13.7° | 5.2° |
| C26 | C19 | C20 | C18 | 179.5° | 180.0° |
| C26 | C19 | C18 | N3 | 166.5° | 174.8° |
| C26 | C19 | C20 | H10 | 179.9° | 179.9° |
| C19 | C26 | C25 | H23 | 0.2° | 0.1° |
| S | C20 | C19 | H10 | 180.0° | 179.7° |
| S | C20 | C19 | C18 | 179.6° | 179.8° |
| O3 | C18 | C19 | C20 | 166.8° | 174.8° |
| O3 | C18 | C19 | N3 | 179.8° | 180.0° |
| O3 | C18 | N3 | C17 | 1.2° | 4.8° |
| O3 | C18 | N3 | H2 | 178.8° | 175.2° |
| C20 | C19 | C18 | N3 | 13.0° | 5.2° |
| C19 | C18 | N3 | C17 | 179.0° | 175.2° |
| C19 | C18 | N3 | H2 | 1.0° | 4.8° |
| C18 | C19 | C20 | H10 | 0.4° | 0.0° |
| C18 | N3 | C17 | H2 | 180.0° | 180.0° |
| C18 | N3 | C17 | C27 | 70.2° | 145.9° |
| C18 | N3 | C17 | C16 | 112.5° | 34.1° |
| C1 | C2 | C3 | C7 | 179.5° | 179.5° |
| C1 | C2 | C7 | C8 | 1.2° | 0.3° |
| C1 | C2 | C3 | C4 | 179.8° | 180.0° |
| C1 | C2 | C7 | C6 | 179.9° | 179.7° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.1° |
| C1 | C2 | C3 | H16 | 0.3° | 0.0° |
| N3 | C17 | C27 | C16 | 177.4° | 180.0° |
| N3 | C17 | C27 | C8 | 3.1° | 0.0° |
| N3 | C17 | C27 | C10 | 179.4° | 179.8° |
| N3 | C17 | C16 | C12 | 178.8° | 179.5° |
| N3 | C17 | C16 | H21 | 1.2° | 0.1° |
| C3 | C2 | C7 | C8 | 179.4° | 179.8° |
| C2 | C3 | C4 | H16 | 180.0° | 180.0° |
| C3 | C2 | C7 | C6 | 0.6° | 0.2° |
| C2 | C3 | C4 | C5 | 0.1° | 0.6° |
| C2 | C3 | C4 | H3 | 179.9° | 179.7° |
| C3 | C2 | C1 | H13 | 90.2° | 85.1° |
| C3 | C2 | C1 | H14 | 149.8° | 154.9° |
| C3 | C2 | C1 | H15 | 29.8° | 34.9° |
| C2 | C7 | C8 | C27 | 152.9° | 162.8° |
| C2 | C7 | C8 | C6 | 178.7° | 180.0° |
| C2 | C7 | C8 | N1 | 86.4° | 80.4° |
| C7 | C2 | C3 | C4 | 0.3° | 0.5° |
| C2 | C7 | C6 | C5 | 0.6° | 0.0° |
| C2 | C7 | C6 | H5 | 179.4° | 180.0° |
| C2 | C7 | C8 | H6 | 33.9° | 41.2° |
| C7 | C2 | C1 | H13 | 90.3° | 95.4° |
| C7 | C2 | C1 | H14 | 29.7° | 24.6° |
| C7 | C2 | C1 | H15 | 149.7° | 144.6° |
| C7 | C2 | C3 | H16 | 179.7° | 179.5° |
| C17 | C27 | C8 | C10 | 177.8° | 179.8° |
| C17 | C27 | C8 | C7 | 54.3° | 60.8° |
| C17 | C27 | C8 | N1 | 179.5° | 180.0° |
| C27 | C17 | C16 | C12 | 1.5° | 0.5° |
| C17 | C27 | C10 | C9 | 179.7° | 179.8° |
| C17 | C27 | C10 | C11 | 1.7° | 0.2° |
| C27 | C17 | N3 | H2 | 109.9° | 34.1° |
| C17 | C27 | C8 | H6 | 64.6° | 60.9° |
| C27 | C17 | C16 | H21 | 178.5° | 179.9° |
| C16 | C17 | C27 | C8 | 179.6° | 180.0° |
| C16 | C17 | C27 | C10 | 2.1° | 0.2° |
| C17 | C16 | C12 | H21 | 180.0° | 179.4° |
| C17 | C16 | C12 | C11 | 0.5° | 0.7° |
| C17 | C16 | C12 | N2 | 179.1° | 179.9° |
| C16 | C17 | N3 | H2 | 67.5° | 145.9° |
| C27 | C8 | C7 | N1 | 120.7° | 116.8° |
| C27 | C8 | C7 | H6 | 119.1° | 121.6° |
| C27 | C8 | N1 | H6 | 115.5° | 119.1° |
| C27 | C8 | C7 | C6 | 25.8° | 17.2° |
| C27 | C8 | N1 | C9 | 2.9° | 0.0° |
| C8 | C27 | C10 | C9 | 1.6° | 0.4° |
| C8 | C27 | C10 | C11 | 179.7° | 180.0° |
| C27 | C8 | N1 | H1 | 177.1° | 179.8° |
| C7 | C8 | N1 | H6 | 119.9° | 121.7° |
| C7 | C8 | C27 | C10 | 127.9° | 119.4° |
| C7 | C8 | N1 | C9 | 127.5° | 119.2° |
| C8 | C7 | C6 | C5 | 179.3° | 180.0° |
| C7 | C8 | N1 | H1 | 52.5° | 60.6° |
| C8 | C7 | C6 | H5 | 0.7° | 0.0° |
| N1 | C8 | C27 | C10 | 2.7° | 0.2° |
| N1 | C8 | C7 | C6 | 94.9° | 99.6° |
| C8 | N1 | C9 | H1 | 180.0° | 179.8° |
| C8 | N1 | C9 | C10 | 2.0° | 0.2° |
| C8 | N1 | C9 | O1 | 179.8° | 179.7° |
| C27 | C10 | C9 | N1 | 0.2° | 0.4° |
| C27 | C10 | C9 | C11 | 178.4° | 179.6° |
| C27 | C10 | C11 | C12 | 0.7° | 0.4° |
| C27 | C10 | C9 | O1 | 178.0° | 179.6° |
| C10 | C27 | C8 | H6 | 113.1° | 118.9° |
| C27 | C10 | C11 | H17 | 179.3° | 179.6° |
| C16 | C12 | C11 | C10 | 0.2° | 0.7° |
| C16 | C12 | C11 | N2 | 179.7° | 179.3° |
| C16 | C12 | N2 | C13 | 166.4° | 0.7° |
| C16 | C12 | C11 | H17 | 179.8° | 179.3° |
| C16 | C12 | N2 | H18 | 71.8° | 179.3° |
| C3 | C4 | C5 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C3 | C4 | C5 | H4 | 179.9° | 179.8° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C7 | C6 | C5 | H4 | 179.8° | 179.9° |
| C6 | C7 | C8 | H6 | 144.8° | 138.8° |
| N1 | C9 | C10 | O1 | 177.8° | 180.0° |
| N1 | C9 | C10 | C11 | 178.2° | 180.0° |
| C9 | N1 | C8 | H6 | 112.6° | 119.1° |
| C9 | C10 | C11 | C12 | 179.0° | 179.9° |
| C10 | C9 | N1 | H1 | 178.0° | 180.0° |
| C9 | C10 | C11 | H17 | 1.0° | 0.0° |
| C10 | C11 | C12 | H17 | 180.0° | 180.0° |
| C10 | C11 | C12 | N2 | 179.5° | 180.0° |
| C11 | C10 | C9 | O1 | 0.4° | 0.0° |
| C11 | C12 | N2 | C13 | 13.9° | 180.0° |
| C11 | C12 | N2 | H18 | 107.9° | 0.0° |
| C11 | C12 | C16 | H21 | 179.5° | 179.8° |
| C12 | N2 | C13 | H18 | 121.8° | 180.0° |
| C12 | N2 | C13 | C14 | 170.9° | 155.0° |
| C12 | N2 | C13 | C15 | 74.9° | 108.8° |
| C12 | N2 | C13 | H7 | 57.2° | 23.1° |
| N2 | C12 | C11 | H17 | 0.5° | 0.0° |
| N2 | C12 | C16 | H21 | 0.8° | 0.5° |
| O1 | C9 | N1 | H1 | 0.2° | 0.1° |
| N2 | C13 | C14 | C15 | 114.2° | 114.3° |
| N2 | C13 | C14 | H7 | 132.5° | 131.5° |
| N2 | C13 | C15 | H7 | 132.7° | 131.6° |
| N2 | C13 | C14 | O2 | 137.5° | 136.8° |
| N2 | C13 | C15 | O2 | 137.3° | 136.8° |
| N2 | C13 | C15 | H8 | 21.7° | 22.7° |
| N2 | C13 | C15 | H9 | 107.0° | 109.0° |
| N2 | C13 | C14 | H19 | 106.9° | 109.0° |
| N2 | C13 | C14 | H20 | 21.9° | 22.7° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | H5 | 179.8° | 180.0° |
| C5 | C4 | C3 | H16 | 179.9° | 179.4° |
| C6 | C5 | C4 | H3 | 179.9° | 180.0° |
| C14 | C13 | C15 | H7 | 113.3° | 114.2° |
| C13 | C14 | O2 | H19 | 115.6° | 114.2° |
| C13 | C14 | O2 | H20 | 115.6° | 114.1° |
| C14 | C13 | C15 | O2 | 23.2° | 22.5° |
| C14 | C13 | C15 | H8 | 92.4° | 91.5° |
| C14 | C13 | C15 | H9 | 138.9° | 136.7° |
| C14 | C13 | N2 | H18 | 67.3° | 25.0° |
| C13 | C14 | H19 | H20 | 131.5° | 132.1° |
| C13 | C15 | O2 | H8 | 115.6° | 114.1° |
| C13 | C15 | O2 | H9 | 115.6° | 114.2° |
| C13 | C15 | H8 | H9 | 131.5° | 132.1° |
| C15 | C13 | N2 | H18 | 163.3° | 71.2° |
| C15 | C13 | C14 | H19 | 138.9° | 136.7° |
| C15 | C13 | C14 | H20 | 92.3° | 91.6° |
| O2 | C14 | C13 | H7 | 90.0° | 91.7° |
| C14 | O2 | C15 | H8 | 90.7° | 90.0° |
| C14 | O2 | C15 | H9 | 140.5° | 138.3° |
| O2 | C14 | H19 | H20 | 131.5° | 132.0° |
| O2 | C15 | C13 | H7 | 90.0° | 91.6° |
| O2 | C15 | H8 | H9 | 131.5° | 132.1° |
| C15 | O2 | C14 | H19 | 140.5° | 138.3° |
| C15 | O2 | C14 | H20 | 90.7° | 90.0° |
| H1 | N1 | C8 | H6 | 67.4° | 61.1° |
| H3 | C4 | C5 | H4 | 0.1° | 0.1° |
| H3 | C4 | C3 | H16 | 0.1° | 0.3° |
| H4 | C5 | C6 | H5 | 0.2° | 0.1° |
| H7 | C13 | C15 | H8 | 154.3° | 154.3° |
| H7 | C13 | C15 | H9 | 25.6° | 22.6° |
| H7 | C13 | N2 | H18 | 64.6° | 156.9° |
| H7 | C13 | C14 | H19 | 25.6° | 22.5° |
| H7 | C13 | C14 | H20 | 154.4° | 154.2° |
| H11 | C22 | C23 | H22 | 0.1° | 0.1° |
| H12 | C24 | C23 | H22 | 0.2° | 0.1° |
| H12 | C24 | C25 | H23 | 0.2° | 0.1° |
| H13 | C1 | H14 | H15 | 120.0° | 120.0° |
