A1AQ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.52Å | 1.50Å | |
| C14 | C11 | sing | 1.54Å | 1.57Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.52Å | 1.50Å | |
| C9 | N8 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C13 | N8 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | C10 | sing | 1.52Å | 1.56Å | |
| C11 | C12 | sing | 1.52Å | 1.56Å | |
| C11 | C17 | sing | 1.54Å | 1.57Å | |
| N8 | C5 | sing | 1.39Å | 1.40Å | |
| C17 | N18 | sing | 1.47Å | 1.47Å | |
| C5 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | N6 | sing | 1.33Å | 1.35Å | Aromatic |
| N4 | N3 | sing | 1.29Å | 1.34Å | Aromatic |
| N6 | C1 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C2 | doub | 1.33Å | 1.35Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | N26 | sing | 1.32Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | S7 | sing | 1.76Å | 1.77Å | |
| N26 | C27 | doub | 1.33Å | 1.35Å | Aromatic |
| C23 | S7 | sing | 1.76Å | 1.77Å | |
| C23 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | N29 | sing | 1.39Å | 1.40Å | |
| C28 | CL1 | sing | 1.74Å | 1.73Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| N18 | H19 | sing | 1.01Å | 1.00Å | |
| N18 | H20 | sing | 1.01Å | 1.00Å | |
| N29 | H22 | sing | 0.97Å | 1.00Å | |
| N29 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C15 | 118.0° | 120.2° |
| C19 | C20 | C21 | 120.8° | 120.0° |
| C20 | C19 | H12 | 121.0° | 119.9° |
| C19 | C20 | H13 | 119.6° | 120.0° |
| C19 | C15 | C14 | 125.6° | 130.4° |
| C19 | C15 | C16 | 121.1° | 119.8° |
| C15 | C19 | H12 | 121.0° | 119.9° |
| C20 | C21 | C22 | 120.8° | 119.9° |
| C21 | C20 | H13 | 119.6° | 120.0° |
| C20 | C21 | H14 | 119.6° | 120.1° |
| C15 | C14 | C11 | 101.2° | 105.1° |
| C14 | C15 | C16 | 113.3° | 109.8° |
| C15 | C14 | H1 | 111.5° | 110.3° |
| C15 | C14 | H2 | 111.5° | 110.4° |
| C14 | C11 | C10 | 109.3° | 110.6° |
| C14 | C11 | C12 | 109.6° | 110.6° |
| C14 | C11 | C17 | 110.4° | 103.1° |
| C11 | C14 | H1 | 111.5° | 110.3° |
| C11 | C14 | H2 | 111.5° | 110.3° |
| C15 | C16 | C22 | 121.4° | 119.8° |
| C15 | C16 | C17 | 113.1° | 109.8° |
| C21 | C22 | C16 | 117.9° | 120.2° |
| C21 | C22 | H10 | 121.1° | 119.8° |
| C22 | C21 | H14 | 119.6° | 120.0° |
| C22 | C16 | C17 | 125.5° | 130.4° |
| C16 | C22 | H10 | 121.0° | 119.9° |
| C16 | C17 | C11 | 101.4° | 105.1° |
| C16 | C17 | N18 | 109.1° | 110.3° |
| C16 | C17 | H7 | 110.9° | 110.3° |
| N8 | C9 | C10 | 109.3° | 109.4° |
| C9 | N8 | C13 | 110.5° | 111.3° |
| C9 | N8 | C5 | 121.7° | 111.0° |
| N8 | C9 | H17 | 109.5° | 109.5° |
| N8 | C9 | H18 | 109.5° | 109.5° |
| C9 | C10 | C11 | 111.1° | 109.3° |
| C9 | C10 | H8 | 109.1° | 109.5° |
| C9 | C10 | H9 | 109.1° | 109.5° |
| C10 | C9 | H17 | 109.5° | 109.4° |
| C10 | C9 | H18 | 109.5° | 109.5° |
| N8 | C13 | C12 | 109.1° | 109.4° |
| C13 | N8 | C5 | 121.6° | 111.0° |
| N8 | C13 | H3 | 109.6° | 109.5° |
| N8 | C13 | H4 | 109.5° | 109.5° |
| C13 | C12 | C11 | 111.1° | 109.4° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C12 | C13 | H4 | 109.6° | 109.5° |
| C13 | C12 | H5 | 109.1° | 109.5° |
| C13 | C12 | H6 | 109.1° | 109.5° |
| C10 | C11 | C12 | 110.2° | 110.9° |
| C10 | C11 | C17 | 107.6° | 110.7° |
| C11 | C10 | H8 | 109.1° | 109.5° |
| C11 | C10 | H9 | 109.1° | 109.5° |
| C12 | C11 | C17 | 109.7° | 110.7° |
| C11 | C12 | H5 | 109.1° | 109.5° |
| C11 | C12 | H6 | 109.1° | 109.5° |
| C11 | C17 | N18 | 113.9° | 110.3° |
| C11 | C17 | H7 | 109.9° | 110.4° |
| N8 | C5 | N4 | 117.5° | 119.6° |
| N8 | C5 | N6 | 117.3° | 119.5° |
| N18 | C17 | H7 | 111.2° | 110.3° |
| C17 | N18 | H19 | 109.5° | 111.0° |
| C17 | N18 | H20 | 109.5° | 111.0° |
| N4 | C5 | N6 | 125.2° | 120.9° |
| C5 | N4 | N3 | 119.1° | 121.4° |
| C5 | N6 | C1 | 116.0° | 119.5° |
| N4 | N3 | C2 | 118.6° | 120.4° |
| N6 | C1 | C2 | 120.2° | 118.8° |
| N6 | C1 | H11 | 119.9° | 120.6° |
| N3 | C2 | C1 | 121.0° | 119.1° |
| N3 | C2 | S7 | 118.2° | 120.4° |
| C1 | C2 | S7 | 120.8° | 120.5° |
| C2 | C1 | H11 | 119.9° | 120.6° |
| C24 | C25 | N26 | 122.6° | 121.0° |
| C25 | C24 | C23 | 118.7° | 119.2° |
| C25 | C24 | H15 | 120.7° | 120.4° |
| C24 | C25 | H16 | 118.7° | 119.5° |
| C25 | N26 | C27 | 118.9° | 121.8° |
| N26 | C25 | H16 | 118.7° | 119.5° |
| C24 | C23 | S7 | 121.8° | 120.8° |
| C24 | C23 | C28 | 118.4° | 118.4° |
| C23 | C24 | H15 | 120.6° | 120.4° |
| C2 | S7 | C23 | 104.3° | 103.0° |
| N26 | C27 | C28 | 122.4° | 120.7° |
| N26 | C27 | N29 | 116.9° | 119.7° |
| S7 | C23 | C28 | 119.8° | 120.8° |
| C23 | C28 | C27 | 119.0° | 118.9° |
| C23 | C28 | CL1 | 120.3° | 120.6° |
| C28 | C27 | N29 | 120.6° | 119.7° |
| C27 | C28 | CL1 | 120.7° | 120.5° |
| C27 | N29 | H22 | 109.5° | 120.0° |
| C27 | N29 | H23 | 109.5° | 120.0° |
| H1 | C14 | H2 | 109.5° | 110.4° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H5 | C12 | H6 | 109.4° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| H19 | N18 | H20 | 109.4° | 111.0° |
| H22 | N29 | H23 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C15 | H12 | 180.0° | 180.0° |
| C19 | C20 | C21 | H13 | 180.0° | 179.9° |
| C20 | C19 | C15 | C14 | 179.9° | 179.9° |
| C20 | C19 | C15 | C16 | 0.0° | 0.1° |
| C19 | C20 | C21 | C22 | 0.0° | 0.1° |
| C19 | C20 | C21 | H14 | 180.0° | 180.0° |
| C15 | C19 | C20 | C21 | 0.0° | 0.1° |
| C19 | C15 | C14 | C16 | 179.9° | 180.0° |
| C19 | C15 | C14 | C11 | 175.0° | 163.5° |
| C19 | C15 | C16 | C22 | 0.0° | 0.1° |
| C19 | C15 | C16 | C17 | 179.9° | 179.9° |
| C19 | C15 | C14 | H1 | 66.4° | 77.6° |
| C19 | C15 | C14 | H2 | 56.3° | 44.6° |
| C15 | C19 | C20 | H13 | 180.0° | 180.0° |
| C20 | C21 | C22 | H14 | 180.0° | 179.9° |
| C20 | C21 | C22 | C16 | 0.0° | 0.0° |
| C20 | C21 | C22 | H10 | 180.0° | 180.0° |
| C21 | C20 | C19 | H12 | 180.0° | 179.9° |
| C15 | C14 | C11 | H1 | 118.7° | 118.8° |
| C15 | C14 | C11 | H2 | 118.6° | 119.0° |
| C14 | C15 | C16 | C22 | 179.9° | 179.9° |
| C14 | C15 | C16 | C17 | 0.0° | 0.1° |
| C15 | C14 | C11 | C10 | 110.2° | 92.8° |
| C15 | C14 | C11 | C12 | 128.9° | 143.9° |
| C15 | C14 | C11 | C17 | 8.0° | 25.5° |
| C15 | C14 | H1 | H2 | 123.8° | 122.2° |
| C14 | C15 | C19 | H12 | 0.1° | 0.1° |
| C11 | C14 | C15 | C16 | 4.9° | 16.5° |
| C14 | C11 | C17 | C16 | 8.0° | 25.5° |
| C14 | C11 | C10 | C9 | 70.7° | 178.9° |
| C14 | C11 | C12 | C13 | 70.6° | 178.9° |
| C14 | C11 | C10 | C12 | 120.5° | 123.1° |
| C14 | C11 | C10 | C17 | 119.9° | 113.6° |
| C14 | C11 | C12 | C17 | 121.3° | 113.6° |
| C14 | C11 | C17 | N18 | 109.1° | 93.4° |
| C11 | C14 | H1 | H2 | 123.8° | 122.2° |
| C14 | C11 | C12 | H5 | 49.6° | 58.9° |
| C14 | C11 | C12 | H6 | 169.1° | 61.1° |
| C14 | C11 | C17 | H7 | 125.4° | 144.5° |
| C14 | C11 | C10 | H8 | 169.0° | 59.0° |
| C14 | C11 | C10 | H9 | 49.5° | 61.1° |
| C15 | C16 | C22 | C21 | 0.0° | 0.0° |
| C15 | C16 | C22 | C17 | 180.0° | 180.0° |
| C15 | C16 | C17 | C11 | 5.0° | 16.6° |
| C15 | C16 | C17 | N18 | 115.5° | 102.3° |
| C16 | C15 | C14 | H1 | 113.8° | 102.4° |
| C16 | C15 | C14 | H2 | 123.6° | 135.4° |
| C15 | C16 | C17 | H7 | 121.6° | 135.6° |
| C15 | C16 | C22 | H10 | 180.0° | 180.0° |
| C16 | C15 | C19 | H12 | 180.0° | 179.9° |
| C21 | C22 | C16 | H10 | 180.0° | 180.0° |
| C21 | C22 | C16 | C17 | 179.9° | 179.9° |
| C22 | C21 | C20 | H13 | 180.0° | 180.0° |
| C22 | C16 | C17 | C11 | 175.0° | 163.4° |
| C22 | C16 | C17 | N18 | 64.5° | 77.7° |
| C22 | C16 | C17 | H7 | 58.3° | 44.4° |
| C16 | C22 | C21 | H14 | 180.0° | 180.0° |
| C16 | C17 | C11 | C10 | 111.2° | 92.7° |
| C16 | C17 | C11 | C12 | 128.8° | 143.9° |
| C16 | C17 | C11 | N18 | 117.1° | 118.9° |
| C16 | C17 | C11 | H7 | 117.4° | 119.0° |
| C16 | C17 | N18 | H7 | 122.6° | 122.1° |
| C17 | C16 | C22 | H10 | 0.1° | 0.0° |
| C16 | C17 | N18 | H19 | 180.0° | 62.8° |
| C16 | C17 | N18 | H20 | 60.0° | 61.1° |
| N8 | C9 | C10 | H17 | 120.0° | 120.0° |
| N8 | C9 | C10 | H18 | 120.0° | 120.0° |
| C9 | N8 | C13 | C5 | 152.6° | 124.1° |
| C9 | N8 | C13 | C12 | 65.7° | 62.4° |
| N8 | C9 | C10 | C11 | 57.4° | 58.1° |
| C9 | N8 | C5 | N4 | 174.9° | 124.3° |
| C9 | N8 | C5 | N6 | 4.6° | 55.7° |
| C9 | N8 | C13 | H3 | 54.3° | 57.6° |
| C9 | N8 | C13 | H4 | 174.3° | 177.6° |
| N8 | C9 | C10 | H8 | 62.9° | 61.9° |
| N8 | C9 | C10 | H9 | 177.6° | 178.0° |
| N8 | C9 | H17 | H18 | 120.1° | 120.1° |
| C10 | C9 | N8 | C13 | 65.8° | 62.4° |
| C9 | C10 | C11 | H8 | 120.2° | 120.0° |
| C9 | C10 | C11 | H9 | 120.2° | 120.0° |
| C9 | C10 | C11 | C12 | 49.8° | 55.8° |
| C9 | C10 | C11 | C17 | 169.4° | 67.5° |
| C10 | C9 | N8 | C5 | 86.8° | 173.4° |
| C9 | C10 | H8 | H9 | 119.3° | 120.1° |
| C10 | C9 | H17 | H18 | 120.0° | 120.0° |
| N8 | C13 | C12 | H3 | 120.0° | 120.0° |
| N8 | C13 | C12 | H4 | 120.0° | 120.0° |
| N8 | C13 | C12 | C11 | 57.2° | 57.9° |
| C13 | N8 | C5 | N4 | 25.3° | 0.0° |
| C13 | N8 | C5 | N6 | 154.2° | 180.0° |
| N8 | C13 | H3 | H4 | 120.1° | 120.0° |
| N8 | C13 | C12 | H5 | 177.4° | 62.0° |
| N8 | C13 | C12 | H6 | 63.1° | 177.9° |
| C13 | N8 | C9 | H17 | 174.2° | 177.6° |
| C13 | N8 | C9 | H18 | 54.2° | 57.6° |
| C13 | C12 | C11 | C10 | 49.7° | 55.7° |
| C13 | C12 | C11 | H5 | 120.3° | 120.0° |
| C13 | C12 | C11 | H6 | 120.3° | 120.0° |
| C13 | C12 | C11 | C17 | 168.1° | 67.5° |
| C12 | C13 | N8 | C5 | 87.0° | 173.5° |
| C12 | C13 | H3 | H4 | 120.2° | 120.0° |
| C13 | C12 | H5 | H6 | 119.3° | 120.0° |
| C10 | C11 | C12 | C17 | 118.3° | 123.2° |
| C10 | C11 | C17 | N18 | 131.7° | 148.3° |
| C10 | C11 | C14 | H1 | 131.1° | 148.3° |
| C10 | C11 | C14 | H2 | 8.4° | 26.1° |
| C10 | C11 | C12 | H5 | 170.0° | 64.2° |
| C10 | C11 | C12 | H6 | 70.5° | 175.7° |
| C10 | C11 | C17 | H7 | 6.1° | 26.2° |
| C11 | C10 | H8 | H9 | 119.3° | 120.0° |
| C11 | C10 | C9 | H17 | 177.3° | 178.0° |
| C11 | C10 | C9 | H18 | 62.6° | 62.0° |
| C12 | C11 | C17 | N18 | 11.8° | 24.9° |
| C12 | C11 | C14 | H1 | 10.2° | 25.0° |
| C12 | C11 | C14 | H2 | 112.5° | 97.2° |
| C11 | C12 | C13 | H3 | 62.8° | 62.1° |
| C11 | C12 | C13 | H4 | 177.1° | 177.9° |
| C11 | C12 | H5 | H6 | 119.3° | 120.1° |
| C12 | C11 | C17 | H7 | 113.8° | 97.2° |
| C12 | C11 | C10 | H8 | 70.5° | 64.2° |
| C12 | C11 | C10 | H9 | 170.0° | 175.8° |
| C11 | C17 | N18 | H7 | 124.9° | 122.2° |
| C17 | C11 | C14 | H1 | 110.7° | 93.4° |
| C17 | C11 | C14 | H2 | 126.6° | 144.5° |
| C17 | C11 | C12 | H5 | 71.7° | 172.5° |
| C17 | C11 | C12 | H6 | 47.8° | 52.5° |
| C17 | C11 | C10 | H8 | 49.1° | 172.6° |
| C17 | C11 | C10 | H9 | 70.4° | 52.5° |
| C11 | C17 | N18 | H19 | 67.6° | 178.4° |
| C11 | C17 | N18 | H20 | 172.5° | 54.5° |
| N8 | C5 | N4 | N6 | 179.5° | 180.0° |
| N8 | C5 | N4 | N3 | 179.8° | 180.0° |
| N8 | C5 | N6 | C1 | 179.7° | 180.0° |
| C5 | N8 | C13 | H3 | 153.1° | 66.5° |
| C5 | N8 | C13 | H4 | 33.0° | 53.5° |
| C5 | N8 | C9 | H17 | 33.2° | 53.5° |
| C5 | N8 | C9 | H18 | 153.2° | 66.5° |
| C17 | N18 | H19 | H20 | 120.0° | 123.9° |
| N4 | C5 | N6 | C1 | 0.2° | 0.1° |
| C5 | N4 | N3 | C2 | 0.1° | 0.0° |
| N6 | C5 | N4 | N3 | 0.4° | 0.0° |
| C5 | N6 | C1 | C2 | 0.2° | 0.0° |
| C5 | N6 | C1 | H11 | 179.8° | 180.0° |
| N4 | N3 | C2 | C1 | 0.3° | 0.1° |
| N4 | N3 | C2 | S7 | 179.7° | 180.0° |
| N6 | C1 | C2 | N3 | 0.4° | 0.0° |
| N6 | C1 | C2 | H11 | 180.0° | 180.0° |
| N6 | C1 | C2 | S7 | 179.8° | 180.0° |
| N3 | C2 | C1 | S7 | 179.4° | 179.9° |
| N3 | C2 | S7 | C23 | 60.5° | 6.3° |
| N3 | C2 | C1 | H11 | 179.6° | 180.0° |
| C1 | C2 | S7 | C23 | 120.1° | 173.8° |
| C24 | C25 | N26 | H16 | 180.0° | 179.9° |
| C25 | C24 | C23 | H15 | 180.0° | 179.9° |
| C24 | C25 | N26 | C27 | 0.1° | 0.2° |
| C25 | C24 | C23 | S7 | 180.0° | 180.0° |
| C25 | C24 | C23 | C28 | 0.1° | 0.3° |
| N26 | C25 | C24 | C23 | 0.0° | 0.1° |
| C25 | N26 | C27 | C28 | 0.1° | 0.3° |
| C25 | N26 | C27 | N29 | 179.9° | 179.7° |
| N26 | C25 | C24 | H15 | 180.0° | 180.0° |
| C24 | C23 | S7 | C2 | 23.0° | 104.1° |
| C24 | C23 | S7 | C28 | 179.8° | 179.7° |
| C24 | C23 | C28 | C27 | 0.1° | 0.3° |
| C24 | C23 | C28 | CL1 | 179.9° | 179.7° |
| C23 | C24 | C25 | H16 | 180.0° | 180.0° |
| C2 | S7 | C23 | C28 | 157.2° | 76.2° |
| S7 | C2 | C1 | H11 | 0.2° | 0.0° |
| N26 | C27 | C28 | C23 | 0.0° | 0.0° |
| N26 | C27 | C28 | N29 | 180.0° | 180.0° |
| N26 | C27 | C28 | CL1 | 180.0° | 180.0° |
| C27 | N26 | C25 | H16 | 179.9° | 179.6° |
| N26 | C27 | N29 | H22 | 0.0° | 180.0° |
| N26 | C27 | N29 | H23 | 120.0° | 0.0° |
| S7 | C23 | C28 | C27 | 180.0° | 180.0° |
| S7 | C23 | C28 | CL1 | 0.0° | 0.0° |
| S7 | C23 | C24 | H15 | 0.0° | 0.1° |
| C23 | C28 | C27 | CL1 | 180.0° | 180.0° |
| C23 | C28 | C27 | N29 | 179.9° | 180.0° |
| C28 | C23 | C24 | H15 | 179.9° | 179.7° |
| C28 | C27 | N29 | H22 | 180.0° | 0.0° |
| C28 | C27 | N29 | H23 | 60.0° | 180.0° |
| N29 | C27 | C28 | CL1 | 0.0° | 0.0° |
| C27 | N29 | H22 | H23 | 120.0° | 180.0° |
| H3 | C13 | C12 | H5 | 57.5° | 177.9° |
| H3 | C13 | C12 | H6 | 176.9° | 57.9° |
| H4 | C13 | C12 | H5 | 62.6° | 58.0° |
| H4 | C13 | C12 | H6 | 56.8° | 62.1° |
| H7 | C17 | N18 | H19 | 57.3° | 59.4° |
| H7 | C17 | N18 | H20 | 62.6° | 176.7° |
| H8 | C10 | C9 | H17 | 57.1° | 58.0° |
| H8 | C10 | C9 | H18 | 177.1° | 178.0° |
| H9 | C10 | C9 | H17 | 62.4° | 62.1° |
| H9 | C10 | C9 | H18 | 57.6° | 57.9° |
| H10 | C22 | C21 | H14 | 0.0° | 0.1° |
| H12 | C19 | C20 | H13 | 0.0° | 0.0° |
| H13 | C20 | C21 | H14 | 0.0° | 0.1° |
| H15 | C24 | C25 | H16 | 0.0° | 0.1° |
