A1A5I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C26 | N24 | sing | 1.47Å | 1.47Å | |
| C28 | C23 | sing | 1.53Å | 1.52Å | |
| N24 | C23 | sing | 1.47Å | 1.47Å | |
| N24 | C25 | sing | 1.47Å | 1.47Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C25 | C20 | sing | 1.53Å | 1.51Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| O10 | C20 | sing | 1.43Å | 1.45Å | |
| O10 | C2 | sing | 1.36Å | 1.37Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.37Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.50Å | |
| C5 | C9 | sing | 1.47Å | 1.48Å | |
| C7 | N8 | sing | 1.47Å | 1.47Å | |
| C9 | N8 | sing | 1.34Å | 1.36Å | |
| C9 | O11 | doub | 1.22Å | 1.21Å | |
| N8 | C12 | sing | 1.46Å | 1.45Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | C17 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C17 | O18 | doub | 1.21Å | 1.23Å | |
| C17 | N16 | sing | 1.34Å | 1.37Å | |
| C15 | N16 | sing | 1.34Å | 1.37Å | |
| C15 | O19 | doub | 1.21Å | 1.23Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | 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 | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.08Å | 1.08Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| N16 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | N24 | 113.5° | 109.5° |
| C27 | C26 | H16 | 108.5° | 109.5° |
| C27 | C26 | H17 | 108.4° | 109.5° |
| C26 | C27 | H18 | 109.5° | 109.4° |
| C26 | C27 | H19 | 109.4° | 109.5° |
| C26 | C27 | H20 | 109.5° | 109.5° |
| C26 | N24 | C23 | 113.3° | 111.0° |
| C26 | N24 | C25 | 111.3° | 111.1° |
| N24 | C26 | H16 | 108.5° | 109.5° |
| N24 | C26 | H17 | 108.5° | 109.5° |
| C28 | C23 | N24 | 112.4° | 109.5° |
| C28 | C23 | C22 | 112.6° | 109.4° |
| C28 | C23 | H13 | 106.7° | 109.5° |
| C23 | C28 | H21 | 109.5° | 109.5° |
| C23 | C28 | H22 | 109.4° | 109.4° |
| C23 | C28 | H23 | 109.5° | 109.5° |
| C23 | N24 | C25 | 112.3° | 111.2° |
| N24 | C23 | C22 | 110.8° | 109.5° |
| N24 | C23 | H13 | 107.3° | 109.4° |
| N24 | C25 | C20 | 109.9° | 109.5° |
| N24 | C25 | H14 | 109.3° | 109.4° |
| N24 | C25 | H15 | 109.4° | 109.4° |
| C23 | C22 | C21 | 112.3° | 109.3° |
| C23 | C22 | H11 | 108.7° | 109.6° |
| C23 | C22 | H12 | 108.8° | 109.5° |
| C22 | C23 | H13 | 106.7° | 109.5° |
| C25 | C20 | O10 | 109.0° | 109.5° |
| C25 | C20 | C21 | 111.2° | 109.3° |
| C25 | C20 | H8 | 109.3° | 109.5° |
| C20 | C25 | H14 | 109.4° | 109.5° |
| C20 | C25 | H15 | 109.4° | 109.5° |
| C22 | C21 | C20 | 110.9° | 109.1° |
| C22 | C21 | H9 | 109.2° | 109.5° |
| C22 | C21 | H10 | 109.1° | 109.6° |
| C21 | C22 | H11 | 108.8° | 109.5° |
| C21 | C22 | H12 | 108.8° | 109.5° |
| C20 | O10 | C2 | 118.3° | 117.0° |
| O10 | C20 | C21 | 107.9° | 109.6° |
| O10 | C20 | H8 | 110.2° | 109.5° |
| O10 | C2 | C1 | 121.7° | 119.9° |
| O10 | C2 | C3 | 117.8° | 120.0° |
| C21 | C20 | H8 | 109.3° | 109.5° |
| C20 | C21 | H9 | 109.1° | 109.5° |
| C20 | C21 | H10 | 109.1° | 109.6° |
| C1 | C2 | C3 | 120.6° | 120.1° |
| C2 | C1 | C6 | 119.9° | 120.3° |
| C2 | C1 | H1 | 120.1° | 119.9° |
| C2 | C3 | C4 | 119.3° | 119.9° |
| C2 | C3 | H2 | 120.4° | 120.0° |
| C1 | C6 | C5 | 119.7° | 119.9° |
| C6 | C1 | H1 | 120.0° | 119.8° |
| C1 | C6 | H24 | 120.1° | 120.1° |
| C3 | C4 | C5 | 120.4° | 120.4° |
| C3 | C4 | C7 | 129.9° | 133.2° |
| C4 | C3 | H2 | 120.3° | 120.1° |
| C6 | C5 | C4 | 120.1° | 119.5° |
| C6 | C5 | C9 | 131.3° | 132.3° |
| C5 | C6 | H24 | 120.2° | 120.0° |
| C5 | C4 | C7 | 109.6° | 106.4° |
| C4 | C5 | C9 | 108.6° | 108.2° |
| C4 | C7 | N8 | 102.1° | 106.2° |
| C4 | C7 | H25 | 111.3° | 110.1° |
| C4 | C7 | H26 | 111.3° | 110.1° |
| C5 | C9 | N8 | 106.3° | 110.3° |
| C5 | C9 | O11 | 128.7° | 124.8° |
| C7 | N8 | C9 | 113.3° | 108.8° |
| C7 | N8 | C12 | 124.0° | 125.6° |
| N8 | C7 | H25 | 111.3° | 110.1° |
| N8 | C7 | H26 | 111.3° | 110.1° |
| N8 | C9 | O11 | 125.0° | 124.8° |
| C9 | N8 | C12 | 122.7° | 125.6° |
| N8 | C12 | C13 | 113.8° | 109.6° |
| N8 | C12 | C17 | 109.7° | 109.6° |
| N8 | C12 | H3 | 107.3° | 109.5° |
| C12 | C13 | C14 | 110.0° | 108.6° |
| C13 | C12 | C17 | 112.4° | 109.2° |
| C13 | C12 | H3 | 106.6° | 109.5° |
| C12 | C13 | H4 | 109.3° | 109.6° |
| C12 | C13 | H5 | 109.3° | 109.6° |
| C13 | C14 | C15 | 112.0° | 109.2° |
| C14 | C13 | H4 | 109.3° | 109.6° |
| C14 | C13 | H5 | 109.3° | 109.6° |
| C13 | C14 | H6 | 108.8° | 109.5° |
| C13 | C14 | H7 | 108.8° | 109.5° |
| C12 | C17 | O18 | 121.4° | 119.4° |
| C12 | C17 | N16 | 117.5° | 121.3° |
| C17 | C12 | H3 | 106.6° | 109.5° |
| C14 | C15 | N16 | 116.9° | 121.3° |
| C14 | C15 | O19 | 122.6° | 119.4° |
| C15 | C14 | H6 | 108.8° | 109.6° |
| C15 | C14 | H7 | 108.8° | 109.5° |
| O18 | C17 | N16 | 121.1° | 119.3° |
| C17 | N16 | C15 | 126.9° | 122.6° |
| C17 | N16 | H27 | 116.5° | 118.7° |
| N16 | C15 | O19 | 120.5° | 119.3° |
| C15 | N16 | H27 | 116.5° | 118.7° |
| H4 | C13 | H5 | 109.5° | 109.8° |
| H6 | C14 | H7 | 109.5° | 109.6° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.5° | 109.4° |
| H14 | C25 | H15 | 109.5° | 109.4° |
| H16 | C26 | H17 | 109.5° | 109.4° |
| H18 | C27 | H19 | 109.5° | 109.5° |
| H18 | C27 | H20 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.5° |
| H21 | C28 | H23 | 109.5° | 109.5° |
| H22 | C28 | H23 | 109.5° | 109.5° |
| H25 | C7 | H26 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | N24 | H16 | 120.6° | 120.0° |
| C27 | C26 | N24 | H17 | 120.6° | 120.1° |
| C27 | C26 | N24 | C23 | 159.6° | 166.5° |
| C27 | C26 | N24 | C25 | 31.9° | 69.2° |
| C27 | C26 | H16 | H17 | 118.2° | 120.0° |
| C26 | C27 | H18 | H19 | 120.0° | 120.0° |
| C26 | C27 | H18 | H20 | 120.0° | 120.0° |
| C26 | C27 | H19 | H20 | 120.0° | 120.0° |
| C26 | N24 | C23 | C28 | 48.3° | 54.2° |
| C26 | N24 | C23 | C25 | 127.1° | 124.1° |
| C26 | N24 | C23 | C22 | 175.2° | 174.1° |
| C26 | N24 | C25 | C20 | 171.3° | 174.2° |
| C26 | N24 | C23 | H13 | 68.7° | 65.8° |
| C26 | N24 | C25 | H14 | 51.2° | 65.8° |
| C26 | N24 | C25 | H15 | 68.7° | 54.1° |
| N24 | C26 | H16 | H17 | 118.2° | 120.0° |
| N24 | C26 | C27 | H18 | 180.0° | 180.0° |
| N24 | C26 | C27 | H19 | 60.0° | 60.0° |
| N24 | C26 | C27 | H20 | 60.0° | 60.1° |
| C28 | C23 | N24 | C22 | 126.9° | 120.0° |
| C28 | C23 | N24 | H13 | 117.0° | 120.0° |
| C28 | C23 | N24 | C25 | 175.4° | 178.3° |
| C28 | C23 | C22 | H13 | 116.7° | 120.0° |
| C28 | C23 | C22 | C21 | 179.0° | 179.2° |
| C28 | C23 | C22 | H11 | 60.6° | 59.2° |
| C28 | C23 | C22 | H12 | 58.6° | 60.9° |
| C23 | C28 | H21 | H22 | 120.0° | 119.9° |
| C23 | C28 | H21 | H23 | 120.0° | 120.1° |
| C23 | C28 | H22 | H23 | 120.0° | 120.0° |
| N24 | C23 | C22 | H13 | 116.5° | 120.0° |
| C23 | N24 | C25 | C20 | 60.6° | 61.8° |
| N24 | C23 | C22 | C21 | 52.2° | 59.2° |
| N24 | C23 | C22 | H11 | 172.6° | 60.8° |
| N24 | C23 | C22 | H12 | 68.3° | 179.2° |
| C23 | N24 | C25 | H14 | 179.4° | 58.3° |
| C23 | N24 | C25 | H15 | 59.5° | 178.2° |
| C23 | N24 | C26 | H16 | 39.0° | 73.5° |
| C23 | N24 | C26 | H17 | 79.9° | 46.5° |
| N24 | C23 | C28 | H21 | 180.0° | 172.0° |
| N24 | C23 | C28 | H22 | 60.0° | 68.1° |
| N24 | C23 | C28 | H23 | 60.0° | 51.9° |
| C25 | N24 | C23 | C22 | 57.6° | 61.7° |
| N24 | C25 | C20 | H14 | 120.1° | 120.0° |
| N24 | C25 | C20 | H15 | 120.1° | 120.0° |
| N24 | C25 | C20 | O10 | 60.9° | 60.8° |
| N24 | C25 | C20 | C21 | 57.9° | 59.2° |
| N24 | C25 | C20 | H8 | 178.7° | 179.1° |
| C25 | N24 | C23 | H13 | 58.4° | 58.3° |
| N24 | C25 | H14 | H15 | 119.8° | 119.8° |
| C25 | N24 | C26 | H16 | 88.7° | 50.7° |
| C25 | N24 | C26 | H17 | 152.5° | 170.7° |
| C23 | C22 | C21 | H11 | 120.4° | 120.0° |
| C23 | C22 | C21 | H12 | 120.4° | 120.0° |
| C23 | C22 | C21 | C20 | 50.4° | 57.7° |
| C23 | C22 | C21 | H9 | 69.8° | 177.6° |
| C23 | C22 | C21 | H10 | 170.6° | 62.2° |
| C23 | C22 | H11 | H12 | 118.7° | 120.1° |
| C22 | C23 | C28 | H21 | 54.0° | 52.0° |
| C22 | C23 | C28 | H22 | 174.1° | 172.0° |
| C22 | C23 | C28 | H23 | 66.0° | 68.1° |
| C25 | C20 | C21 | C22 | 53.1° | 57.7° |
| C25 | C20 | O10 | C21 | 120.8° | 119.8° |
| C25 | C20 | O10 | H8 | 119.9° | 120.0° |
| C25 | C20 | O10 | C2 | 137.9° | 156.4° |
| C25 | C20 | C21 | H8 | 120.8° | 119.9° |
| C25 | C20 | C21 | H9 | 67.1° | 177.5° |
| C25 | C20 | C21 | H10 | 173.3° | 62.3° |
| C20 | C25 | H14 | H15 | 119.8° | 120.1° |
| C22 | C21 | C20 | O10 | 66.3° | 62.3° |
| C22 | C21 | C20 | H9 | 120.2° | 119.9° |
| C22 | C21 | C20 | H10 | 120.2° | 120.0° |
| C22 | C21 | C20 | H8 | 173.8° | 177.5° |
| C22 | C21 | H9 | H10 | 119.4° | 120.2° |
| C21 | C22 | H11 | H12 | 118.7° | 120.0° |
| C21 | C22 | C23 | H13 | 64.3° | 60.8° |
| O10 | C20 | C21 | H8 | 119.8° | 120.1° |
| C20 | O10 | C2 | C1 | 134.4° | 4.9° |
| C20 | O10 | C2 | C3 | 44.5° | 175.1° |
| O10 | C20 | C21 | H9 | 173.4° | 57.6° |
| O10 | C20 | C21 | H10 | 53.9° | 177.7° |
| O10 | C20 | C25 | H14 | 59.2° | 179.2° |
| O10 | C20 | C25 | H15 | 179.1° | 59.2° |
| C2 | O10 | C20 | C21 | 101.3° | 83.7° |
| O10 | C2 | C1 | C3 | 178.9° | 180.0° |
| O10 | C2 | C1 | C6 | 179.0° | 180.0° |
| O10 | C2 | C3 | C4 | 178.7° | 180.0° |
| O10 | C2 | C1 | H1 | 1.0° | 0.3° |
| O10 | C2 | C3 | H2 | 1.4° | 0.1° |
| C2 | O10 | C20 | H8 | 18.0° | 36.4° |
| C20 | C21 | H9 | H10 | 119.4° | 120.1° |
| C20 | C21 | C22 | H11 | 170.8° | 62.3° |
| C20 | C21 | C22 | H12 | 70.0° | 177.7° |
| C21 | C20 | C25 | H14 | 177.9° | 60.8° |
| C21 | C20 | C25 | H15 | 62.2° | 179.2° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C1 | C2 | C3 | H2 | 179.7° | 180.0° |
| C2 | C1 | C6 | H24 | 179.8° | 179.7° |
| C3 | C2 | C1 | C6 | 0.1° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C2 | C3 | C4 | C7 | 176.6° | 180.0° |
| C3 | C2 | C1 | H1 | 179.9° | 179.7° |
| C1 | C6 | C5 | H24 | 180.0° | 179.6° |
| C1 | C6 | C5 | C4 | 0.9° | 0.0° |
| C1 | C6 | C5 | C9 | 177.7° | 180.0° |
| C3 | C4 | C5 | C6 | 1.3° | 0.0° |
| C3 | C4 | C5 | C7 | 178.0° | 180.0° |
| C3 | C4 | C5 | C9 | 177.6° | 180.0° |
| C3 | C4 | C7 | N8 | 179.4° | 180.0° |
| C3 | C4 | C7 | H25 | 60.6° | 60.9° |
| C3 | C4 | C7 | H26 | 61.8° | 60.8° |
| C6 | C5 | C4 | C9 | 178.9° | 180.0° |
| C6 | C5 | C4 | C7 | 176.7° | 180.0° |
| C6 | C5 | C9 | N8 | 177.1° | 180.0° |
| C6 | C5 | C9 | O11 | 5.3° | 0.1° |
| C5 | C6 | C1 | H1 | 179.8° | 179.7° |
| C5 | C4 | C7 | N8 | 2.8° | 0.0° |
| C4 | C5 | C9 | N8 | 4.2° | 0.0° |
| C4 | C5 | C9 | O11 | 173.4° | 180.0° |
| C5 | C4 | C3 | H2 | 179.0° | 180.0° |
| C4 | C5 | C6 | H24 | 179.1° | 179.7° |
| C5 | C4 | C7 | H25 | 121.6° | 119.2° |
| C5 | C4 | C7 | H26 | 116.0° | 119.2° |
| C7 | C4 | C5 | C9 | 4.4° | 0.0° |
| C4 | C7 | N8 | H25 | 118.8° | 119.2° |
| C4 | C7 | N8 | H26 | 118.8° | 119.2° |
| C4 | C7 | N8 | C9 | 0.2° | 0.0° |
| C4 | C7 | N8 | C12 | 179.1° | 180.0° |
| C7 | C4 | C3 | H2 | 3.4° | 0.1° |
| C4 | C7 | H25 | H26 | 123.4° | 121.6° |
| C5 | C9 | N8 | C7 | 2.3° | 0.0° |
| C5 | C9 | N8 | O11 | 177.7° | 180.0° |
| C5 | C9 | N8 | C12 | 176.6° | 180.0° |
| C9 | C5 | C6 | H24 | 2.3° | 0.4° |
| C7 | N8 | C9 | C12 | 178.9° | 180.0° |
| C7 | N8 | C9 | O11 | 175.3° | 179.9° |
| C7 | N8 | C12 | C13 | 63.7° | 120.2° |
| C7 | N8 | C12 | C17 | 63.3° | 120.0° |
| C7 | N8 | C12 | H3 | 178.7° | 0.1° |
| N8 | C7 | H25 | H26 | 123.5° | 121.6° |
| C9 | N8 | C12 | C13 | 117.5° | 59.8° |
| C9 | N8 | C12 | C17 | 115.5° | 60.0° |
| C9 | N8 | C12 | H3 | 0.1° | 179.9° |
| C9 | N8 | C7 | H25 | 119.0° | 119.2° |
| C9 | N8 | C7 | H26 | 118.6° | 119.2° |
| O11 | C9 | N8 | C12 | 5.8° | 0.1° |
| N8 | C12 | C13 | C17 | 125.5° | 120.0° |
| N8 | C12 | C13 | H3 | 118.1° | 120.1° |
| N8 | C12 | C13 | C14 | 175.4° | 175.5° |
| N8 | C12 | C17 | H3 | 115.9° | 120.1° |
| N8 | C12 | C17 | O18 | 32.5° | 30.9° |
| N8 | C12 | C17 | N16 | 149.7° | 149.0° |
| N8 | C12 | C13 | H4 | 64.5° | 64.7° |
| N8 | C12 | C13 | H5 | 55.4° | 55.9° |
| C12 | N8 | C7 | H25 | 62.1° | 60.8° |
| C12 | N8 | C7 | H26 | 60.3° | 60.8° |
| C12 | C13 | C14 | H4 | 120.1° | 119.7° |
| C12 | C13 | C14 | H5 | 120.1° | 119.7° |
| C13 | C12 | C17 | H3 | 116.4° | 119.9° |
| C12 | C13 | C14 | C15 | 54.8° | 55.6° |
| C13 | C12 | C17 | O18 | 160.2° | 150.9° |
| C13 | C12 | C17 | N16 | 22.0° | 29.0° |
| C12 | C13 | H4 | H5 | 119.8° | 120.5° |
| C12 | C13 | C14 | H6 | 65.5° | 64.3° |
| C12 | C13 | C14 | H7 | 175.2° | 175.5° |
| C14 | C13 | C12 | C17 | 49.9° | 55.6° |
| C13 | C14 | C15 | H6 | 120.4° | 119.9° |
| C13 | C14 | C15 | H7 | 120.4° | 119.9° |
| C13 | C14 | C15 | N16 | 31.2° | 29.1° |
| C13 | C14 | C15 | O19 | 148.8° | 151.0° |
| C14 | C13 | C12 | H3 | 66.5° | 64.3° |
| C14 | C13 | H4 | H5 | 119.8° | 120.4° |
| C13 | C14 | H6 | H7 | 118.8° | 120.1° |
| C12 | C17 | O18 | N16 | 177.7° | 179.9° |
| C12 | C17 | N16 | C15 | 3.3° | 0.5° |
| C17 | C12 | C13 | H4 | 169.9° | 175.3° |
| C17 | C12 | C13 | H5 | 70.2° | 64.1° |
| C12 | C17 | N16 | H27 | 176.7° | 179.4° |
| C14 | C15 | N16 | C17 | 1.5° | 0.5° |
| C14 | C15 | N16 | O19 | 180.0° | 179.9° |
| C15 | C14 | C13 | H4 | 174.9° | 175.4° |
| C15 | C14 | C13 | H5 | 65.3° | 64.1° |
| C15 | C14 | H6 | H7 | 118.8° | 120.2° |
| C14 | C15 | N16 | H27 | 178.5° | 179.4° |
| O18 | C17 | N16 | C15 | 174.5° | 179.4° |
| O18 | C17 | C12 | H3 | 83.4° | 89.3° |
| O18 | C17 | N16 | H27 | 5.5° | 0.7° |
| C17 | N16 | C15 | H27 | 180.0° | 179.9° |
| C17 | N16 | C15 | O19 | 178.5° | 179.6° |
| N16 | C17 | C12 | H3 | 94.4° | 90.8° |
| N16 | C15 | C14 | H6 | 89.2° | 90.8° |
| N16 | C15 | C14 | H7 | 151.6° | 149.0° |
| O19 | C15 | C14 | H6 | 90.8° | 89.1° |
| O19 | C15 | C14 | H7 | 28.4° | 31.1° |
| O19 | C15 | N16 | H27 | 1.5° | 0.5° |
| H1 | C1 | C6 | H24 | 0.2° | 0.0° |
| H3 | C12 | C13 | H4 | 53.5° | 55.4° |
| H3 | C12 | C13 | H5 | 173.4° | 176.0° |
| H4 | C13 | C14 | H6 | 54.5° | 55.4° |
| H4 | C13 | C14 | H7 | 64.7° | 64.8° |
| H5 | C13 | C14 | H6 | 174.4° | 176.0° |
| H5 | C13 | C14 | H7 | 55.2° | 55.8° |
| H8 | C20 | C21 | H9 | 53.6° | 62.6° |
| H8 | C20 | C21 | H10 | 65.9° | 57.6° |
| H8 | C20 | C25 | H14 | 61.3° | 59.1° |
| H8 | C20 | C25 | H15 | 58.6° | 60.9° |
| H9 | C21 | C22 | H11 | 50.6° | 57.5° |
| H9 | C21 | C22 | H12 | 169.8° | 62.5° |
| H10 | C21 | C22 | H11 | 69.0° | 177.7° |
| H10 | C21 | C22 | H12 | 50.2° | 57.7° |
| H11 | C22 | C23 | H13 | 56.2° | 179.2° |
| H12 | C22 | C23 | H13 | 175.3° | 59.2° |
| H13 | C23 | C28 | H21 | 62.7° | 68.0° |
| H13 | C23 | C28 | H22 | 57.4° | 51.9° |
| H13 | C23 | C28 | H23 | 177.4° | 171.9° |
| H16 | C26 | C27 | H18 | 59.4° | 60.0° |
| H16 | C26 | C27 | H19 | 60.6° | 60.0° |
| H16 | C26 | C27 | H20 | 179.4° | 180.0° |
| H17 | C26 | C27 | H18 | 59.4° | 60.0° |
| H17 | C26 | C27 | H19 | 179.4° | 179.9° |
| H17 | C26 | C27 | H20 | 60.6° | 60.0° |
| H18 | C27 | H19 | H20 | 120.0° | 120.0° |
| H21 | C28 | H22 | H23 | 120.0° | 120.1° |
