A1D55
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | N2 | doub | 1.31Å | 1.31Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.42Å | Aromatic |
| N2 | C26 | sing | 1.34Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.37Å | 1.36Å | Aromatic |
| C26 | C27 | doub | 1.41Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.42Å | 1.40Å | Aromatic |
| C29 | C25 | sing | 1.41Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.36Å | 1.35Å | Aromatic |
| O1 | C11 | sing | 1.44Å | 1.40Å | |
| O1 | C2 | sing | 1.35Å | 1.36Å | |
| C25 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | N1 | sing | 1.40Å | 1.38Å | |
| C11 | O2 | sing | 1.44Å | 1.41Å | |
| N1 | C10 | sing | 1.46Å | 1.45Å | |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| O2 | C3 | sing | 1.35Å | 1.35Å | |
| C10 | C6 | sing | 1.52Å | 1.55Å | |
| C10 | C9 | sing | 1.52Å | 1.56Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C7 | sing | 1.52Å | 1.52Å | |
| C9 | C13 | sing | 1.54Å | 1.53Å | |
| C9 | C8 | sing | 1.56Å | 1.50Å | |
| C22 | O7 | sing | 1.43Å | 1.40Å | |
| C13 | O3 | sing | 1.47Å | 1.41Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C12 | sing | 1.50Å | 1.50Å | |
| C7 | C14 | sing | 1.51Å | 1.50Å | |
| O7 | C18 | sing | 1.36Å | 1.37Å | |
| O3 | C12 | sing | 1.35Å | 1.36Å | |
| C19 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | O4 | doub | 1.21Å | 1.20Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | O6 | sing | 1.36Å | 1.34Å | |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| O6 | C21 | sing | 1.43Å | 1.40Å | |
| C16 | O5 | sing | 1.36Å | 1.36Å | |
| O5 | C20 | sing | 1.43Å | 1.41Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å | |
| C1 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C31 | C30 | 122.4° | 121.8° |
| C31 | N2 | C26 | 117.4° | 121.3° |
| N2 | C31 | H27 | 118.8° | 119.1° |
| C31 | C30 | C29 | 119.6° | 119.9° |
| C31 | C30 | H26 | 120.2° | 120.0° |
| C30 | C31 | H27 | 118.8° | 119.1° |
| N2 | C26 | C27 | 118.5° | 120.9° |
| N2 | C26 | C25 | 124.2° | 119.8° |
| C30 | C29 | C25 | 120.6° | 118.1° |
| C30 | C29 | H25 | 119.7° | 120.9° |
| C29 | C30 | H26 | 120.2° | 120.0° |
| C27 | C26 | C25 | 117.3° | 119.3° |
| C26 | C27 | C28 | 121.4° | 120.0° |
| C26 | C27 | H24 | 119.3° | 120.0° |
| C26 | C25 | C29 | 115.9° | 119.0° |
| C26 | C25 | C24 | 120.3° | 119.7° |
| C29 | C25 | C24 | 123.7° | 121.3° |
| C25 | C29 | H25 | 119.7° | 120.9° |
| C27 | C28 | C23 | 122.0° | 121.0° |
| C27 | C28 | H19 | 119.0° | 119.4° |
| C28 | C27 | H24 | 119.3° | 120.0° |
| C11 | O1 | C2 | 105.9° | 105.5° |
| O1 | C11 | O2 | 105.6° | 104.0° |
| O1 | C11 | H21 | 110.4° | 110.5° |
| O1 | C11 | H22 | 110.4° | 110.7° |
| O1 | C2 | C1 | 130.9° | 130.3° |
| O1 | C2 | C3 | 108.8° | 108.8° |
| C25 | C24 | C23 | 121.8° | 119.5° |
| C25 | C24 | H18 | 119.1° | 120.3° |
| C28 | C23 | C24 | 117.1° | 120.6° |
| C28 | C23 | N1 | 120.5° | 119.7° |
| C23 | C28 | H19 | 119.0° | 119.6° |
| C24 | C23 | N1 | 122.4° | 119.7° |
| C23 | C24 | H18 | 119.1° | 120.3° |
| C23 | N1 | C10 | 126.4° | 120.0° |
| C23 | N1 | H1 | 105.1° | 120.0° |
| C11 | O2 | C3 | 106.3° | 105.6° |
| O2 | C11 | H21 | 110.4° | 110.5° |
| O2 | C11 | H22 | 110.4° | 110.5° |
| N1 | C10 | C6 | 120.6° | 109.7° |
| N1 | C10 | C9 | 117.8° | 109.8° |
| C10 | N1 | H1 | 105.1° | 120.1° |
| N1 | C10 | H5 | 101.4° | 109.8° |
| C2 | C1 | C6 | 120.8° | 118.0° |
| C1 | C2 | C3 | 120.2° | 120.9° |
| C2 | C1 | H20 | 119.6° | 121.0° |
| C1 | C6 | C10 | 116.6° | 116.0° |
| C1 | C6 | C5 | 119.4° | 121.2° |
| C6 | C1 | H20 | 119.6° | 121.0° |
| C2 | C3 | O2 | 107.9° | 108.8° |
| C2 | C3 | C4 | 120.1° | 120.8° |
| O2 | C3 | C4 | 132.0° | 130.4° |
| C6 | C10 | C9 | 111.1° | 108.0° |
| C10 | C6 | C5 | 124.1° | 122.8° |
| C6 | C10 | H5 | 100.6° | 109.8° |
| C10 | C9 | C13 | 124.2° | 115.2° |
| C10 | C9 | C8 | 113.1° | 105.6° |
| C9 | C10 | H5 | 100.6° | 109.8° |
| C10 | C9 | H28 | 105.8° | 111.9° |
| C6 | C5 | C4 | 119.0° | 121.2° |
| C6 | C5 | C7 | 121.6° | 122.8° |
| C3 | C4 | C5 | 120.5° | 118.0° |
| C3 | C4 | H2 | 119.8° | 121.0° |
| C4 | C5 | C7 | 119.5° | 116.1° |
| C5 | C4 | H2 | 119.7° | 121.0° |
| C5 | C7 | C8 | 104.8° | 107.9° |
| C5 | C7 | C14 | 117.9° | 109.8° |
| C5 | C7 | H3 | 105.1° | 109.8° |
| C13 | C9 | C8 | 100.0° | 98.5° |
| C9 | C13 | O3 | 103.5° | 103.0° |
| C9 | C13 | H6 | 110.9° | 110.7° |
| C9 | C13 | H7 | 111.0° | 110.9° |
| C13 | C9 | H28 | 106.1° | 112.0° |
| C9 | C8 | C7 | 113.5° | 106.1° |
| C9 | C8 | C12 | 100.7° | 101.7° |
| C9 | C8 | H4 | 107.2° | 111.2° |
| C8 | C9 | H28 | 106.4° | 112.8° |
| C22 | O7 | C18 | 116.8° | 117.0° |
| O7 | C22 | H15 | 109.5° | 109.5° |
| O7 | C22 | H16 | 109.5° | 109.4° |
| O7 | C22 | H17 | 109.5° | 109.4° |
| C13 | O3 | C12 | 108.9° | 110.8° |
| O3 | C13 | H6 | 110.9° | 110.7° |
| O3 | C13 | H7 | 111.0° | 110.7° |
| C7 | C8 | C12 | 120.2° | 116.7° |
| C8 | C7 | C14 | 117.2° | 109.7° |
| C8 | C7 | H3 | 105.2° | 109.8° |
| C7 | C8 | H4 | 107.1° | 110.4° |
| C8 | C12 | O3 | 109.6° | 108.3° |
| C8 | C12 | O4 | 131.1° | 125.8° |
| C12 | C8 | H4 | 107.3° | 110.3° |
| C7 | C14 | C19 | 117.3° | 119.9° |
| C7 | C14 | C15 | 126.1° | 119.9° |
| C14 | C7 | H3 | 105.3° | 109.8° |
| O7 | C18 | C19 | 117.0° | 120.1° |
| O7 | C18 | C17 | 122.5° | 120.1° |
| O3 | C12 | O4 | 119.3° | 125.9° |
| C14 | C19 | C18 | 122.9° | 120.1° |
| C19 | C14 | C15 | 116.5° | 120.2° |
| C14 | C19 | H23 | 118.5° | 120.0° |
| C19 | C18 | C17 | 120.4° | 119.9° |
| C18 | C19 | H23 | 118.6° | 119.9° |
| C14 | C15 | C16 | 121.8° | 120.1° |
| C14 | C15 | H8 | 119.1° | 119.9° |
| C18 | C17 | O6 | 118.7° | 120.1° |
| C18 | C17 | C16 | 118.0° | 119.8° |
| C15 | C16 | C17 | 120.4° | 119.9° |
| C15 | C16 | O5 | 121.8° | 120.1° |
| C16 | C15 | H8 | 119.1° | 120.0° |
| O6 | C17 | C16 | 123.3° | 120.1° |
| C17 | O6 | C21 | 114.4° | 117.0° |
| C17 | C16 | O5 | 117.8° | 120.0° |
| O6 | C21 | H12 | 109.5° | 109.5° |
| O6 | C21 | H13 | 109.4° | 109.5° |
| O6 | C21 | H14 | 109.5° | 109.5° |
| C16 | O5 | C20 | 119.2° | 117.0° |
| O5 | C20 | H9 | 109.5° | 109.5° |
| O5 | C20 | H10 | 109.5° | 109.4° |
| O5 | C20 | H11 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 110.7° |
| H9 | C20 | H10 | 109.4° | 109.4° |
| H9 | C20 | H11 | 109.5° | 109.4° |
| H10 | C20 | H11 | 109.4° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H12 | C21 | H14 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.4° |
| H15 | C22 | H16 | 109.5° | 109.6° |
| H15 | C22 | H17 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C31 | C30 | H27 | 180.0° | 180.0° |
| N2 | C31 | C30 | C29 | 0.8° | 0.0° |
| C31 | N2 | C26 | C27 | 179.9° | 180.0° |
| C31 | N2 | C26 | C25 | 0.1° | 0.0° |
| N2 | C31 | C30 | H26 | 179.2° | 180.0° |
| C30 | C31 | N2 | C26 | 0.4° | 0.0° |
| C31 | C30 | C29 | H26 | 180.0° | 180.0° |
| C31 | C30 | C29 | C25 | 0.5° | 0.0° |
| C31 | C30 | C29 | H25 | 179.5° | 180.0° |
| N2 | C26 | C27 | C25 | 179.9° | 180.0° |
| N2 | C26 | C25 | C29 | 0.3° | 0.0° |
| N2 | C26 | C27 | C28 | 179.6° | 179.8° |
| N2 | C26 | C25 | C24 | 180.0° | 180.0° |
| N2 | C26 | C27 | H24 | 0.3° | 0.0° |
| C26 | N2 | C31 | H27 | 179.6° | 180.0° |
| C30 | C29 | C25 | C26 | 0.0° | 0.0° |
| C30 | C29 | C25 | H25 | 180.0° | 179.9° |
| C30 | C29 | C25 | C24 | 179.7° | 179.9° |
| C29 | C30 | C31 | H27 | 179.2° | 180.0° |
| C27 | C26 | C25 | C29 | 179.8° | 180.0° |
| C26 | C27 | C28 | H24 | 180.0° | 179.8° |
| C27 | C26 | C25 | C24 | 0.1° | 0.1° |
| C26 | C27 | C28 | C23 | 0.2° | 0.5° |
| C26 | C27 | C28 | H19 | 179.7° | 180.0° |
| C26 | C25 | C29 | C24 | 179.7° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.2° |
| C26 | C25 | C24 | C23 | 0.5° | 0.1° |
| C26 | C25 | C24 | H18 | 179.5° | 179.8° |
| C25 | C26 | C27 | H24 | 179.8° | 180.0° |
| C26 | C25 | C29 | H25 | 180.0° | 179.9° |
| C29 | C25 | C24 | C23 | 179.8° | 180.0° |
| C29 | C25 | C24 | H18 | 0.1° | 0.2° |
| C25 | C29 | C30 | H26 | 179.5° | 180.0° |
| C27 | C28 | C23 | H19 | 180.0° | 179.5° |
| C27 | C28 | C23 | C24 | 0.1° | 0.5° |
| C27 | C28 | C23 | N1 | 178.5° | 179.5° |
| O1 | C11 | O2 | H21 | 119.4° | 118.6° |
| O1 | C11 | O2 | H22 | 119.4° | 118.8° |
| C11 | O1 | C2 | C1 | 165.6° | 163.6° |
| C11 | O1 | C2 | C3 | 14.0° | 16.6° |
| O1 | C11 | O2 | C3 | 22.9° | 26.1° |
| O1 | C11 | H21 | H22 | 121.8° | 122.8° |
| C2 | O1 | C11 | O2 | 22.6° | 26.1° |
| O1 | C2 | C1 | C3 | 179.6° | 179.8° |
| O1 | C2 | C1 | C6 | 179.8° | 179.9° |
| O1 | C2 | C3 | O2 | 0.3° | 0.0° |
| O1 | C2 | C3 | C4 | 179.9° | 179.5° |
| O1 | C2 | C1 | H20 | 0.2° | 0.4° |
| C2 | O1 | C11 | H21 | 142.0° | 92.5° |
| C2 | O1 | C11 | H22 | 96.8° | 144.8° |
| C25 | C24 | C23 | C28 | 0.4° | 0.2° |
| C25 | C24 | C23 | H18 | 180.0° | 179.8° |
| C25 | C24 | C23 | N1 | 178.8° | 179.8° |
| C24 | C25 | C29 | H25 | 0.3° | 0.0° |
| C28 | C23 | C24 | N1 | 178.4° | 180.0° |
| C28 | C23 | N1 | C10 | 65.0° | 4.2° |
| C28 | C23 | N1 | H1 | 172.8° | 175.5° |
| C28 | C23 | C24 | H18 | 179.6° | 180.0° |
| C23 | C28 | C27 | H24 | 179.8° | 179.8° |
| C24 | C23 | N1 | C10 | 113.4° | 175.8° |
| C24 | C23 | N1 | H1 | 8.9° | 4.4° |
| C24 | C23 | C28 | H19 | 179.9° | 180.0° |
| C23 | N1 | C10 | H1 | 122.3° | 179.7° |
| C23 | N1 | C10 | C6 | 168.9° | 148.8° |
| C23 | N1 | C10 | C9 | 49.4° | 92.7° |
| C23 | N1 | C10 | H5 | 59.1° | 28.1° |
| N1 | C23 | C24 | H18 | 1.2° | 0.0° |
| N1 | C23 | C28 | H19 | 1.5° | 0.0° |
| C11 | O2 | C3 | C2 | 14.5° | 16.6° |
| C11 | O2 | C3 | C4 | 166.0° | 162.8° |
| O2 | C11 | H21 | H22 | 121.8° | 122.7° |
| N1 | C10 | C6 | C1 | 28.2° | 79.3° |
| N1 | C10 | C6 | C9 | 144.0° | 119.6° |
| N1 | C10 | C6 | H5 | 110.1° | 120.7° |
| N1 | C10 | C9 | H5 | 109.0° | 120.8° |
| N1 | C10 | C6 | C5 | 151.9° | 101.0° |
| N1 | C10 | C9 | C13 | 3.7° | 43.6° |
| N1 | C10 | C9 | C8 | 124.9° | 63.9° |
| N1 | C10 | C9 | H28 | 119.0° | 173.0° |
| C2 | C1 | C6 | H20 | 180.0° | 179.7° |
| C1 | C2 | C3 | O2 | 180.0° | 179.8° |
| C2 | C1 | C6 | C10 | 179.3° | 179.2° |
| C2 | C1 | C6 | C5 | 0.5° | 0.5° |
| C1 | C2 | C3 | C4 | 0.4° | 0.7° |
| C6 | C1 | C2 | C3 | 0.2° | 0.1° |
| C1 | C6 | C10 | C5 | 179.8° | 179.7° |
| C1 | C6 | C10 | C9 | 172.3° | 161.1° |
| C1 | C6 | C5 | C4 | 0.9° | 0.6° |
| C1 | C6 | C5 | C7 | 179.9° | 179.0° |
| C1 | C6 | C10 | H5 | 81.9° | 41.4° |
| C2 | C3 | O2 | C4 | 179.5° | 179.4° |
| C2 | C3 | C4 | C5 | 0.1° | 0.6° |
| C2 | C3 | C4 | H2 | 179.9° | 179.6° |
| C3 | C2 | C1 | H20 | 179.8° | 179.8° |
| O2 | C3 | C4 | C5 | 179.4° | 180.0° |
| O2 | C3 | C4 | H2 | 0.6° | 0.2° |
| C3 | O2 | C11 | H21 | 142.3° | 92.6° |
| C3 | O2 | C11 | H22 | 96.5° | 144.8° |
| C6 | C10 | C9 | H5 | 105.9° | 119.6° |
| C10 | C6 | C5 | C4 | 178.9° | 179.1° |
| C10 | C6 | C5 | C7 | 0.1° | 1.4° |
| C6 | C10 | C9 | C13 | 141.4° | 163.2° |
| C6 | C10 | C9 | C8 | 20.3° | 55.7° |
| C6 | C10 | N1 | H1 | 68.8° | 31.0° |
| C10 | C6 | C1 | H20 | 0.6° | 1.1° |
| C6 | C10 | C9 | H28 | 95.8° | 67.4° |
| C9 | C10 | C6 | C5 | 7.9° | 18.6° |
| C10 | C9 | C13 | C8 | 126.9° | 111.7° |
| C10 | C9 | C13 | H28 | 122.6° | 129.4° |
| C10 | C9 | C8 | H28 | 115.7° | 122.5° |
| C10 | C9 | C13 | O3 | 167.3° | 149.9° |
| C10 | C9 | C8 | C7 | 59.0° | 78.7° |
| C10 | C9 | C8 | C12 | 171.2° | 158.7° |
| C9 | C10 | N1 | H1 | 72.9° | 87.5° |
| C10 | C9 | C8 | H4 | 59.1° | 41.3° |
| C10 | C9 | C13 | H6 | 73.6° | 91.7° |
| C10 | C9 | C13 | H7 | 48.3° | 31.5° |
| C6 | C5 | C4 | C3 | 0.8° | 0.0° |
| C6 | C5 | C4 | C7 | 179.0° | 179.5° |
| C6 | C5 | C7 | C8 | 33.7° | 18.3° |
| C6 | C5 | C7 | C14 | 98.7° | 101.3° |
| C6 | C5 | C4 | H2 | 179.2° | 179.8° |
| C6 | C5 | C7 | H3 | 144.3° | 137.9° |
| C5 | C6 | C10 | H5 | 97.9° | 138.2° |
| C5 | C6 | C1 | H20 | 179.5° | 179.2° |
| C3 | C4 | C5 | H2 | 180.0° | 179.8° |
| C3 | C4 | C5 | C7 | 179.7° | 179.6° |
| C4 | C5 | C7 | C8 | 147.4° | 161.3° |
| C4 | C5 | C7 | C14 | 80.2° | 79.2° |
| C4 | C5 | C7 | H3 | 36.8° | 41.7° |
| C5 | C7 | C8 | C9 | 63.3° | 55.8° |
| C5 | C7 | C8 | C14 | 132.9° | 119.6° |
| C5 | C7 | C8 | H3 | 110.6° | 119.6° |
| C5 | C7 | C8 | C12 | 177.5° | 168.2° |
| C5 | C7 | C14 | H3 | 116.9° | 120.8° |
| C5 | C7 | C14 | C19 | 27.0° | 31.4° |
| C5 | C7 | C14 | C15 | 149.7° | 148.6° |
| C7 | C5 | C4 | H2 | 0.3° | 0.6° |
| C5 | C7 | C8 | H4 | 54.9° | 64.8° |
| C13 | C9 | C8 | H28 | 110.2° | 118.2° |
| C9 | C13 | O3 | H6 | 119.0° | 118.4° |
| C9 | C13 | O3 | H7 | 119.1° | 118.6° |
| C13 | C9 | C8 | C7 | 166.9° | 162.0° |
| C13 | C9 | C8 | C12 | 37.1° | 39.5° |
| C9 | C13 | O3 | C12 | 27.3° | 23.7° |
| C13 | C9 | C8 | H4 | 74.9° | 78.0° |
| C13 | C9 | C10 | H5 | 112.7° | 77.1° |
| C9 | C13 | H6 | H7 | 122.8° | 123.3° |
| C8 | C9 | C13 | O3 | 40.4° | 38.2° |
| C9 | C8 | C7 | C12 | 119.2° | 112.4° |
| C9 | C8 | C7 | H4 | 118.2° | 120.6° |
| C9 | C8 | C12 | H4 | 112.0° | 118.1° |
| C9 | C8 | C7 | C14 | 69.6° | 63.8° |
| C9 | C8 | C12 | O3 | 23.2° | 27.7° |
| C9 | C8 | C12 | O4 | 157.3° | 152.3° |
| C9 | C8 | C7 | H3 | 173.9° | 175.4° |
| C8 | C9 | C10 | H5 | 126.1° | 175.4° |
| C8 | C9 | C13 | H6 | 159.4° | 156.5° |
| C8 | C9 | C13 | H7 | 78.6° | 80.3° |
| C22 | O7 | C18 | C19 | 25.6° | 0.0° |
| C22 | O7 | C18 | C17 | 154.4° | 180.0° |
| O7 | C22 | H15 | H16 | 120.0° | 120.0° |
| O7 | C22 | H15 | H17 | 120.0° | 119.9° |
| O7 | C22 | H16 | H17 | 120.0° | 119.9° |
| C13 | O3 | C12 | C8 | 2.8° | 2.9° |
| C13 | O3 | C12 | O4 | 176.8° | 177.1° |
| O3 | C13 | H6 | H7 | 122.8° | 123.1° |
| O3 | C13 | C9 | H28 | 70.1° | 80.7° |
| C7 | C8 | C12 | H4 | 122.6° | 127.0° |
| C8 | C7 | C14 | H3 | 116.5° | 120.8° |
| C7 | C8 | C12 | O3 | 148.6° | 142.6° |
| C8 | C7 | C14 | C19 | 99.7° | 87.0° |
| C7 | C8 | C12 | O4 | 31.8° | 37.4° |
| C8 | C7 | C14 | C15 | 83.6° | 93.0° |
| C7 | C8 | C9 | H28 | 56.7° | 43.8° |
| C12 | C8 | C7 | C14 | 49.6° | 48.6° |
| C8 | C12 | O3 | O4 | 179.6° | 180.0° |
| C12 | C8 | C7 | H3 | 66.9° | 72.2° |
| C12 | C8 | C9 | H28 | 73.1° | 78.7° |
| C7 | C14 | C19 | C15 | 177.1° | 179.9° |
| C7 | C14 | C19 | C18 | 178.5° | 179.9° |
| C7 | C14 | C15 | C16 | 178.2° | 179.9° |
| C14 | C7 | C8 | H4 | 172.3° | 175.6° |
| C7 | C14 | C15 | H8 | 1.9° | 0.4° |
| C7 | C14 | C19 | H23 | 1.5° | 0.1° |
| O7 | C18 | C19 | C14 | 179.4° | 179.7° |
| O7 | C18 | C19 | C17 | 180.0° | 180.0° |
| O7 | C18 | C17 | O6 | 1.0° | 0.0° |
| O7 | C18 | C17 | C16 | 179.6° | 179.5° |
| C18 | O7 | C22 | H15 | 180.0° | 180.0° |
| C18 | O7 | C22 | H16 | 60.0° | 60.0° |
| C18 | O7 | C22 | H17 | 60.0° | 60.0° |
| O7 | C18 | C19 | H23 | 0.6° | 0.3° |
| O3 | C12 | C8 | H4 | 88.8° | 90.4° |
| C12 | O3 | C13 | H6 | 146.4° | 142.1° |
| C12 | O3 | C13 | H7 | 91.7° | 94.8° |
| C14 | C19 | C18 | H23 | 180.0° | 180.0° |
| C14 | C19 | C18 | C17 | 0.6° | 0.2° |
| C19 | C14 | C15 | C16 | 1.4° | 0.0° |
| C19 | C14 | C7 | H3 | 143.9° | 152.2° |
| C19 | C14 | C15 | H8 | 178.7° | 179.7° |
| C18 | C19 | C14 | C15 | 1.4° | 0.0° |
| C19 | C18 | C17 | O6 | 179.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.3° | 0.5° |
| O4 | C12 | C8 | H4 | 90.7° | 89.6° |
| C14 | C15 | C16 | H8 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.5° | 0.2° |
| C14 | C15 | C16 | O5 | 179.3° | 179.7° |
| C15 | C14 | C7 | H3 | 32.9° | 27.7° |
| C15 | C14 | C19 | H23 | 178.5° | 180.0° |
| C18 | C17 | C16 | C15 | 0.4° | 0.5° |
| C18 | C17 | O6 | C16 | 178.6° | 179.5° |
| C18 | C17 | O6 | C21 | 85.5° | 90.5° |
| C18 | C17 | C16 | O5 | 179.8° | 179.4° |
| C17 | C18 | C19 | H23 | 179.4° | 179.8° |
| C15 | C16 | C17 | O6 | 178.9° | 180.0° |
| C15 | C16 | C17 | O5 | 179.8° | 179.9° |
| C15 | C16 | O5 | C20 | 0.5° | 0.1° |
| O6 | C17 | C16 | O5 | 1.3° | 0.1° |
| C17 | O6 | C21 | H12 | 180.0° | 60.0° |
| C17 | O6 | C21 | H13 | 60.0° | 179.9° |
| C17 | O6 | C21 | H14 | 60.0° | 60.0° |
| C16 | C17 | O6 | C21 | 93.1° | 90.0° |
| C17 | C16 | O5 | C20 | 179.3° | 180.0° |
| C17 | C16 | C15 | H8 | 179.5° | 179.9° |
| O6 | C21 | H12 | H13 | 120.0° | 120.0° |
| O6 | C21 | H12 | H14 | 120.0° | 120.1° |
| O6 | C21 | H13 | H14 | 120.0° | 120.0° |
| O5 | C16 | C15 | H8 | 0.7° | 0.0° |
| C16 | O5 | C20 | H9 | 180.0° | 179.9° |
| C16 | O5 | C20 | H10 | 60.0° | 60.1° |
| C16 | O5 | C20 | H11 | 60.0° | 60.0° |
| O5 | C20 | H9 | H10 | 120.0° | 120.0° |
| O5 | C20 | H9 | H11 | 120.0° | 120.0° |
| O5 | C20 | H10 | H11 | 120.0° | 120.1° |
| H1 | N1 | C10 | H5 | 178.6° | 151.7° |
| H3 | C7 | C8 | H4 | 55.7° | 54.9° |
| H4 | C8 | C9 | H28 | 174.8° | 163.8° |
| H5 | C10 | C9 | H28 | 10.0° | 52.3° |
| H6 | C13 | C9 | H28 | 49.0° | 37.6° |
| H7 | C13 | C9 | H28 | 170.9° | 160.9° |
| H9 | C20 | H10 | H11 | 120.0° | 120.0° |
| H12 | C21 | H13 | H14 | 120.0° | 120.0° |
| H15 | C22 | H16 | H17 | 120.0° | 120.1° |
| H19 | C28 | C27 | H24 | 0.3° | 0.2° |
| H25 | C29 | C30 | H26 | 0.5° | 0.1° |
| H26 | C30 | C31 | H27 | 0.8° | 0.0° |
