A1ECQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.20Å | |
| C1 | O2 | sing | 1.35Å | 1.53Å | |
| C1 | C3 | sing | 1.50Å | 1.48Å | |
| O2 | C2 | sing | 1.47Å | 1.63Å | |
| C2 | C4 | sing | 1.54Å | 1.55Å | |
| C3 | C4 | sing | 1.56Å | 1.51Å | |
| C3 | C13 | sing | 1.52Å | 1.46Å | |
| C4 | C5 | sing | 1.52Å | 1.45Å | |
| C5 | N1 | sing | 1.46Å | 1.45Å | |
| C5 | C24 | sing | 1.52Å | 1.59Å | |
| N1 | C6 | sing | 1.40Å | 1.46Å | |
| C6 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.46Å | 1.46Å | Aromatic |
| C8 | C10 | doub | 1.41Å | 1.38Å | Aromatic |
| C9 | N2 | doub | 1.30Å | 1.33Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.30Å | Aromatic |
| N3 | C10 | sing | 1.37Å | 1.26Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.36Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.56Å | |
| C13 | C23 | sing | 1.52Å | 1.60Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | O3 | sing | 1.36Å | 1.43Å | |
| C16 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| O3 | C17 | sing | 1.43Å | 1.42Å | |
| C18 | O4 | sing | 1.36Å | 1.42Å | |
| C18 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| O4 | C19 | sing | 1.43Å | 1.40Å | |
| C20 | O5 | sing | 1.36Å | 1.38Å | |
| C20 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| O5 | C21 | sing | 1.43Å | 1.40Å | |
| C23 | C24 | doub | 1.38Å | 1.59Å | Aromatic |
| C23 | C29 | sing | 1.40Å | 1.36Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.35Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | O6 | sing | 1.35Å | 1.40Å | |
| C26 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| O6 | C27 | sing | 1.44Å | 1.43Å | |
| C27 | O7 | sing | 1.44Å | 1.46Å | |
| O7 | C28 | sing | 1.35Å | 1.38Å | |
| C28 | C29 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 126.9° | 125.9° |
| O1 | C1 | C3 | 127.5° | 125.8° |
| O2 | C1 | C3 | 105.5° | 108.3° |
| C1 | O2 | C2 | 107.1° | 110.8° |
| C1 | C3 | C4 | 107.7° | 101.7° |
| C1 | C3 | C13 | 114.2° | 116.6° |
| C1 | C3 | H3 | 108.0° | 110.4° |
| O2 | C2 | C4 | 100.9° | 103.0° |
| O2 | C2 | H2 | 111.6° | 110.7° |
| O2 | C2 | H1 | 111.6° | 110.9° |
| C2 | C4 | C3 | 110.5° | 98.5° |
| C2 | C4 | C5 | 116.3° | 115.2° |
| C4 | C2 | H2 | 111.6° | 110.7° |
| C4 | C2 | H1 | 111.6° | 110.7° |
| C2 | C4 | H4 | 106.0° | 112.0° |
| C4 | C3 | C13 | 110.8° | 106.1° |
| C3 | C4 | C5 | 109.7° | 105.5° |
| C4 | C3 | H3 | 107.6° | 110.5° |
| C3 | C4 | H4 | 106.5° | 112.3° |
| C3 | C13 | C14 | 114.1° | 109.7° |
| C3 | C13 | C23 | 104.4° | 107.9° |
| C3 | C13 | H12 | 109.2° | 109.8° |
| C13 | C3 | H3 | 108.3° | 110.9° |
| C4 | C5 | N1 | 114.3° | 109.8° |
| C4 | C5 | C24 | 106.2° | 107.9° |
| C5 | C4 | H4 | 107.2° | 112.3° |
| C4 | C5 | H5 | 110.5° | 109.7° |
| N1 | C5 | C24 | 106.4° | 109.8° |
| C5 | N1 | C6 | 122.3° | 120.0° |
| N1 | C5 | H5 | 110.5° | 109.8° |
| C5 | N1 | H6 | 106.2° | 120.0° |
| C5 | C24 | C23 | 119.7° | 122.8° |
| C5 | C24 | C25 | 120.8° | 116.0° |
| C24 | C5 | H5 | 108.6° | 109.8° |
| N1 | C6 | C7 | 121.4° | 119.8° |
| N1 | C6 | C12 | 118.4° | 119.8° |
| C6 | N1 | H6 | 106.2° | 120.0° |
| C7 | C6 | C12 | 120.3° | 120.4° |
| C6 | C7 | C8 | 117.2° | 119.4° |
| C6 | C7 | H7 | 121.4° | 120.3° |
| C6 | C12 | C11 | 120.0° | 120.7° |
| C6 | C12 | H11 | 120.0° | 119.7° |
| C7 | C8 | C9 | 135.5° | 133.9° |
| C7 | C8 | C10 | 121.4° | 119.7° |
| C8 | C7 | H7 | 121.4° | 120.3° |
| C9 | C8 | C10 | 103.1° | 106.4° |
| C8 | C9 | N2 | 107.2° | 107.8° |
| C8 | C9 | H8 | 126.4° | 126.1° |
| C8 | C10 | N3 | 107.7° | 106.7° |
| C8 | C10 | C11 | 121.8° | 119.7° |
| C9 | N2 | N3 | 106.5° | 110.1° |
| N2 | C9 | H8 | 126.4° | 126.1° |
| N2 | N3 | C10 | 115.6° | 109.0° |
| N2 | N3 | H9 | 122.2° | 125.4° |
| N3 | C10 | C11 | 130.6° | 133.7° |
| C10 | N3 | H9 | 122.2° | 125.5° |
| C10 | C11 | C12 | 119.3° | 120.1° |
| C10 | C11 | H10 | 120.3° | 119.9° |
| C12 | C11 | H10 | 120.4° | 120.0° |
| C11 | C12 | H11 | 120.0° | 119.6° |
| C14 | C13 | C23 | 113.5° | 109.8° |
| C13 | C14 | C15 | 121.8° | 119.9° |
| C13 | C14 | C22 | 119.8° | 119.9° |
| C14 | C13 | H12 | 107.9° | 109.8° |
| C13 | C23 | C24 | 118.6° | 122.8° |
| C13 | C23 | C29 | 122.5° | 116.0° |
| C23 | C13 | H12 | 107.5° | 109.8° |
| C15 | C14 | C22 | 118.4° | 120.2° |
| C14 | C15 | C16 | 120.0° | 120.1° |
| C14 | C15 | H13 | 120.0° | 120.0° |
| C14 | C22 | C20 | 121.9° | 120.0° |
| C14 | C22 | H23 | 119.0° | 120.0° |
| C15 | C16 | O3 | 119.6° | 120.0° |
| C15 | C16 | C18 | 120.5° | 119.9° |
| C16 | C15 | H13 | 120.0° | 119.9° |
| O3 | C16 | C18 | 119.9° | 120.1° |
| C16 | O3 | C17 | 109.0° | 117.0° |
| C16 | C18 | O4 | 121.0° | 120.1° |
| C16 | C18 | C20 | 118.8° | 119.8° |
| O3 | C17 | H15 | 109.5° | 109.4° |
| O3 | C17 | H16 | 109.5° | 109.5° |
| O3 | C17 | H14 | 109.5° | 109.4° |
| O4 | C18 | C20 | 120.1° | 120.1° |
| C18 | O4 | C19 | 115.5° | 117.0° |
| C18 | C20 | O5 | 118.7° | 120.0° |
| C18 | C20 | C22 | 120.4° | 119.9° |
| O4 | C19 | H19 | 109.5° | 109.5° |
| O4 | C19 | H17 | 109.5° | 109.5° |
| O4 | C19 | H18 | 109.5° | 109.5° |
| O5 | C20 | C22 | 120.9° | 120.0° |
| C20 | O5 | C21 | 110.4° | 117.0° |
| C20 | C22 | H23 | 119.0° | 120.0° |
| O5 | C21 | H22 | 109.5° | 109.5° |
| O5 | C21 | H21 | 109.5° | 109.5° |
| O5 | C21 | H20 | 109.5° | 109.5° |
| C24 | C23 | C29 | 118.9° | 121.2° |
| C23 | C24 | C25 | 119.5° | 121.1° |
| C23 | C29 | C28 | 118.2° | 118.0° |
| C23 | C29 | H27 | 120.9° | 121.1° |
| C24 | C25 | C26 | 118.8° | 118.0° |
| C24 | C25 | H24 | 120.6° | 121.0° |
| C25 | C26 | O6 | 129.0° | 130.4° |
| C25 | C26 | C28 | 122.2° | 120.8° |
| C26 | C25 | H24 | 120.6° | 121.0° |
| O6 | C26 | C28 | 108.9° | 108.8° |
| C26 | O6 | C27 | 106.7° | 105.5° |
| C26 | C28 | O7 | 108.6° | 108.8° |
| C26 | C28 | C29 | 122.5° | 120.8° |
| O6 | C27 | O7 | 104.5° | 104.1° |
| O6 | C27 | H26 | 110.7° | 110.5° |
| O6 | C27 | H25 | 110.7° | 110.7° |
| C27 | O7 | C28 | 106.9° | 105.5° |
| O7 | C27 | H26 | 110.7° | 110.5° |
| O7 | C27 | H25 | 110.7° | 110.5° |
| O7 | C28 | C29 | 129.0° | 130.4° |
| C28 | C29 | H27 | 120.9° | 121.0° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H15 | C17 | H14 | 109.5° | 109.5° |
| H16 | C17 | H14 | 109.5° | 109.5° |
| H19 | C19 | H17 | 109.5° | 109.5° |
| H19 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.4° |
| H2 | C2 | H1 | 109.4° | 110.6° |
| H22 | C21 | H21 | 109.4° | 109.5° |
| H22 | C21 | H20 | 109.5° | 109.4° |
| H21 | C21 | H20 | 109.5° | 109.5° |
| H26 | C27 | H25 | 109.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C3 | 178.4° | 179.7° |
| O1 | C1 | O2 | C2 | 153.1° | 176.9° |
| O1 | C1 | C3 | C4 | 153.7° | 152.0° |
| O1 | C1 | C3 | C13 | 30.2° | 37.1° |
| O1 | C1 | C3 | H3 | 90.3° | 90.7° |
| C1 | O2 | C2 | C4 | 17.8° | 23.8° |
| O2 | C1 | C3 | C4 | 27.9° | 27.7° |
| O2 | C1 | C3 | C13 | 151.5° | 142.6° |
| C1 | O2 | C2 | H2 | 136.4° | 142.1° |
| C1 | O2 | C2 | H1 | 100.8° | 94.7° |
| O2 | C1 | C3 | H3 | 88.0° | 89.6° |
| C3 | C1 | O2 | C2 | 28.6° | 2.9° |
| C1 | C3 | C4 | C2 | 16.8° | 39.5° |
| C1 | C3 | C4 | C13 | 125.5° | 122.4° |
| C1 | C3 | C4 | H3 | 116.2° | 117.2° |
| C1 | C3 | C13 | H3 | 120.3° | 127.6° |
| C1 | C3 | C4 | C5 | 146.3° | 158.8° |
| C1 | C3 | C13 | C14 | 57.1° | 48.4° |
| C1 | C3 | C13 | C23 | 178.4° | 167.9° |
| C1 | C3 | C13 | H12 | 63.8° | 72.4° |
| C1 | C3 | C4 | H4 | 98.0° | 78.6° |
| O2 | C2 | C4 | H2 | 118.6° | 118.4° |
| O2 | C2 | C4 | H1 | 118.6° | 118.6° |
| O2 | C2 | C4 | C3 | 1.0° | 38.2° |
| O2 | C2 | C4 | C5 | 125.0° | 149.9° |
| O2 | C2 | H2 | H1 | 124.0° | 123.3° |
| O2 | C2 | C4 | H4 | 115.9° | 80.1° |
| C2 | C4 | C3 | C5 | 129.6° | 119.3° |
| C2 | C4 | C3 | H4 | 114.7° | 118.1° |
| C2 | C4 | C3 | C13 | 142.3° | 162.0° |
| C2 | C4 | C5 | H4 | 118.4° | 129.8° |
| C2 | C4 | C5 | N1 | 65.2° | 43.8° |
| C2 | C4 | C5 | C24 | 177.9° | 163.4° |
| C4 | C2 | H2 | H1 | 124.0° | 123.1° |
| C2 | C4 | C3 | H3 | 99.5° | 77.7° |
| C2 | C4 | C5 | H5 | 60.2° | 77.0° |
| C4 | C3 | C13 | H3 | 117.8° | 120.1° |
| C3 | C4 | C5 | H4 | 115.2° | 122.7° |
| C3 | C4 | C5 | N1 | 61.2° | 63.7° |
| C3 | C4 | C5 | C24 | 55.8° | 55.9° |
| C4 | C3 | C13 | C14 | 64.7° | 64.0° |
| C4 | C3 | C13 | C23 | 59.7° | 55.6° |
| C4 | C3 | C13 | H12 | 174.4° | 175.2° |
| C3 | C4 | C2 | H2 | 119.6° | 156.6° |
| C3 | C4 | C2 | H1 | 117.6° | 80.4° |
| C3 | C4 | C5 | H5 | 173.4° | 175.5° |
| C13 | C3 | C4 | C5 | 88.1° | 78.8° |
| C3 | C13 | C14 | C23 | 119.5° | 118.4° |
| C3 | C13 | C14 | H12 | 121.6° | 120.8° |
| C3 | C13 | C23 | H12 | 115.9° | 119.7° |
| C3 | C13 | C14 | C15 | 88.9° | 86.8° |
| C3 | C13 | C14 | C22 | 92.0° | 93.0° |
| C3 | C13 | C23 | C24 | 19.6° | 17.8° |
| C3 | C13 | C23 | C29 | 159.2° | 162.0° |
| C13 | C3 | C4 | H4 | 27.6° | 43.9° |
| C4 | C5 | N1 | C24 | 116.9° | 118.5° |
| C4 | C5 | N1 | H5 | 125.4° | 120.7° |
| C4 | C5 | C24 | H5 | 118.9° | 119.6° |
| C4 | C5 | N1 | C6 | 80.3° | 95.2° |
| C4 | C5 | C24 | C23 | 17.1° | 18.5° |
| C4 | C5 | C24 | C25 | 162.9° | 160.7° |
| C5 | C4 | C2 | H2 | 6.4° | 91.7° |
| C5 | C4 | C2 | H1 | 116.4° | 31.3° |
| C5 | C4 | C3 | H3 | 30.1° | 41.6° |
| C4 | C5 | N1 | H6 | 157.9° | 84.8° |
| N1 | C5 | C24 | H5 | 118.9° | 120.9° |
| C5 | N1 | C6 | H6 | 121.8° | 180.0° |
| C5 | N1 | C6 | C7 | 76.8° | 175.0° |
| C5 | N1 | C6 | C12 | 103.4° | 5.0° |
| N1 | C5 | C24 | C23 | 105.1° | 101.0° |
| N1 | C5 | C24 | C25 | 74.9° | 79.7° |
| N1 | C5 | C4 | H4 | 176.4° | 173.6° |
| C24 | C5 | N1 | C6 | 162.8° | 146.4° |
| C5 | C24 | C23 | C13 | 0.9° | 1.7° |
| C5 | C24 | C23 | C25 | 180.0° | 179.2° |
| C5 | C24 | C23 | C29 | 179.7° | 178.4° |
| C5 | C24 | C25 | C26 | 179.9° | 178.6° |
| C5 | C24 | C25 | H24 | 0.1° | 1.4° |
| C24 | C5 | C4 | H4 | 59.4° | 66.8° |
| C24 | C5 | N1 | H6 | 41.0° | 33.6° |
| N1 | C6 | C7 | C12 | 179.8° | 180.0° |
| N1 | C6 | C7 | C8 | 179.8° | 180.0° |
| N1 | C6 | C12 | C11 | 179.9° | 180.0° |
| N1 | C6 | C12 | H11 | 0.1° | 0.0° |
| C6 | N1 | C5 | H5 | 45.1° | 25.5° |
| N1 | C6 | C7 | H7 | 0.1° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 180.0° | 180.0° |
| C6 | C7 | C8 | C10 | 0.0° | 0.1° |
| C7 | C6 | C12 | C11 | 0.1° | 0.0° |
| C7 | C6 | C12 | H11 | 179.9° | 180.0° |
| C7 | C6 | N1 | H6 | 45.0° | 5.0° |
| C12 | C6 | C7 | C8 | 0.1° | 0.0° |
| C6 | C12 | C11 | C10 | 0.0° | 0.0° |
| C6 | C12 | C11 | H11 | 180.0° | 180.0° |
| C6 | C12 | C11 | H10 | 180.0° | 180.0° |
| C12 | C6 | C7 | H7 | 179.9° | 180.0° |
| C12 | C6 | N1 | H6 | 134.8° | 174.9° |
| C7 | C8 | C9 | C10 | 179.9° | 179.9° |
| C7 | C8 | C9 | N2 | 179.9° | 180.0° |
| C7 | C8 | C10 | N3 | 180.0° | 179.8° |
| C7 | C8 | C10 | C11 | 0.1° | 0.0° |
| C7 | C8 | C9 | H8 | 0.1° | 0.1° |
| C8 | C9 | N2 | H8 | 180.0° | 179.9° |
| C8 | C9 | N2 | N3 | 0.1° | 0.2° |
| C9 | C8 | C10 | N3 | 0.0° | 0.3° |
| C9 | C8 | C10 | C11 | 180.0° | 180.0° |
| C9 | C8 | C7 | H7 | 0.1° | 0.0° |
| C10 | C8 | C9 | N2 | 0.0° | 0.0° |
| C8 | C10 | N3 | N2 | 0.1° | 0.4° |
| C8 | C10 | N3 | C11 | 180.0° | 179.7° |
| C8 | C10 | C11 | C12 | 0.0° | 0.0° |
| C8 | C10 | C11 | H10 | 180.0° | 180.0° |
| C10 | C8 | C7 | H7 | 180.0° | 180.0° |
| C10 | C8 | C9 | H8 | 179.9° | 180.0° |
| C8 | C10 | N3 | H9 | 179.9° | 180.0° |
| C9 | N2 | N3 | C10 | 0.1° | 0.4° |
| C9 | N2 | N3 | H9 | 179.9° | 180.0° |
| N2 | N3 | C10 | H9 | 180.0° | 179.6° |
| N2 | N3 | C10 | C11 | 180.0° | 179.9° |
| N3 | N2 | C9 | H8 | 179.9° | 179.7° |
| N3 | C10 | C11 | C12 | 180.0° | 179.7° |
| N3 | C10 | C11 | H10 | 0.0° | 0.3° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C11 | C10 | N3 | H9 | 0.0° | 0.3° |
| C14 | C13 | C23 | H12 | 119.2° | 120.8° |
| C13 | C14 | C15 | C22 | 179.2° | 179.8° |
| C13 | C14 | C15 | C16 | 179.0° | 179.9° |
| C13 | C14 | C22 | C20 | 179.5° | 179.7° |
| C14 | C13 | C23 | C24 | 105.3° | 101.7° |
| C14 | C13 | C23 | C29 | 75.9° | 78.4° |
| C13 | C14 | C15 | H13 | 1.0° | 0.0° |
| C13 | C14 | C22 | H23 | 0.5° | 0.1° |
| C14 | C13 | C3 | H3 | 177.4° | 175.9° |
| C23 | C13 | C14 | C15 | 30.6° | 31.6° |
| C23 | C13 | C14 | C22 | 148.6° | 148.6° |
| C13 | C23 | C24 | C29 | 178.9° | 179.9° |
| C13 | C23 | C24 | C25 | 179.1° | 179.1° |
| C13 | C23 | C29 | C28 | 179.3° | 179.5° |
| C13 | C23 | C29 | H27 | 0.7° | 0.6° |
| C23 | C13 | C3 | H3 | 58.1° | 64.5° |
| C14 | C15 | C16 | H13 | 180.0° | 180.0° |
| C14 | C15 | C16 | O3 | 180.0° | 180.0° |
| C14 | C15 | C16 | C18 | 2.1° | 0.0° |
| C15 | C14 | C22 | C20 | 1.3° | 0.6° |
| C15 | C14 | C13 | H12 | 149.6° | 152.4° |
| C15 | C14 | C22 | H23 | 178.7° | 179.7° |
| C22 | C14 | C15 | C16 | 1.8° | 0.3° |
| C14 | C22 | C20 | C18 | 1.0° | 0.5° |
| C14 | C22 | C20 | O5 | 179.9° | 179.7° |
| C14 | C22 | C20 | H23 | 180.0° | 179.7° |
| C22 | C14 | C13 | H12 | 29.6° | 27.8° |
| C22 | C14 | C15 | H13 | 178.2° | 179.7° |
| C15 | C16 | O3 | C18 | 177.9° | 180.0° |
| C15 | C16 | O3 | C17 | 88.0° | 0.0° |
| C15 | C16 | C18 | O4 | 179.6° | 180.0° |
| C15 | C16 | C18 | C20 | 1.7° | 0.0° |
| O3 | C16 | C18 | O4 | 1.7° | 0.0° |
| O3 | C16 | C18 | C20 | 179.7° | 180.0° |
| O3 | C16 | C15 | H13 | 0.0° | 0.0° |
| C16 | O3 | C17 | H15 | 180.0° | 60.1° |
| C16 | O3 | C17 | H16 | 60.0° | 59.9° |
| C16 | O3 | C17 | H14 | 60.0° | 180.0° |
| C18 | C16 | O3 | C17 | 90.0° | 180.0° |
| C16 | C18 | O4 | C20 | 178.6° | 180.0° |
| C16 | C18 | O4 | C19 | 75.6° | 90.0° |
| C16 | C18 | C20 | O5 | 179.7° | 180.0° |
| C16 | C18 | C20 | C22 | 1.2° | 0.2° |
| C18 | C16 | C15 | H13 | 177.9° | 180.0° |
| O3 | C17 | H15 | H16 | 120.0° | 120.0° |
| O3 | C17 | H15 | H14 | 120.0° | 119.9° |
| O3 | C17 | H16 | H14 | 120.0° | 120.0° |
| O4 | C18 | C20 | O5 | 1.1° | 0.0° |
| O4 | C18 | C20 | C22 | 179.8° | 179.8° |
| C18 | O4 | C19 | H19 | 180.0° | 60.0° |
| C18 | O4 | C19 | H17 | 60.0° | 180.0° |
| C18 | O4 | C19 | H18 | 60.0° | 60.0° |
| C20 | C18 | O4 | C19 | 105.8° | 90.0° |
| C18 | C20 | O5 | C22 | 179.1° | 179.8° |
| C18 | C20 | O5 | C21 | 78.5° | 180.0° |
| C18 | C20 | C22 | H23 | 179.0° | 179.8° |
| O4 | C19 | H19 | H17 | 120.0° | 120.0° |
| O4 | C19 | H19 | H18 | 120.0° | 120.0° |
| O4 | C19 | H17 | H18 | 120.0° | 120.0° |
| C20 | O5 | C21 | H22 | 180.0° | 180.0° |
| C20 | O5 | C21 | H21 | 60.0° | 60.0° |
| C20 | O5 | C21 | H20 | 60.0° | 60.0° |
| O5 | C20 | C22 | H23 | 0.1° | 0.1° |
| C22 | C20 | O5 | C21 | 100.6° | 0.2° |
| O5 | C21 | H22 | H21 | 120.0° | 120.0° |
| O5 | C21 | H22 | H20 | 120.0° | 120.0° |
| O5 | C21 | H21 | H20 | 120.0° | 120.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.6° |
| C24 | C23 | C29 | C28 | 0.5° | 0.4° |
| C24 | C23 | C13 | H12 | 135.5° | 137.5° |
| C23 | C24 | C25 | H24 | 179.9° | 179.4° |
| C24 | C23 | C29 | H27 | 179.5° | 179.5° |
| C23 | C24 | C5 | H5 | 135.9° | 138.1° |
| C29 | C23 | C24 | C25 | 0.3° | 0.8° |
| C23 | C29 | C28 | C26 | 0.3° | 0.1° |
| C23 | C29 | C28 | O7 | 179.6° | 180.0° |
| C23 | C29 | C28 | H27 | 180.0° | 179.9° |
| C29 | C23 | C13 | H12 | 43.3° | 42.4° |
| C24 | C25 | C26 | H24 | 180.0° | 180.0° |
| C24 | C25 | C26 | O6 | 179.9° | 179.8° |
| C24 | C25 | C26 | C28 | 0.4° | 0.1° |
| C25 | C24 | C5 | H5 | 44.0° | 41.1° |
| C25 | C26 | O6 | C28 | 179.8° | 179.9° |
| C25 | C26 | O6 | C27 | 166.9° | 163.7° |
| C25 | C26 | C28 | O7 | 180.0° | 179.8° |
| C25 | C26 | C28 | C29 | 0.2° | 0.3° |
| C26 | O6 | C27 | O7 | 20.0° | 25.9° |
| O6 | C26 | C28 | O7 | 0.2° | 0.1° |
| O6 | C26 | C28 | C29 | 180.0° | 179.8° |
| O6 | C26 | C25 | H24 | 0.1° | 0.2° |
| C26 | O6 | C27 | H26 | 99.2° | 92.7° |
| C26 | O6 | C27 | H25 | 139.2° | 144.6° |
| C28 | C26 | O6 | C27 | 12.8° | 16.4° |
| C26 | C28 | O7 | C27 | 12.9° | 16.6° |
| C26 | C28 | O7 | C29 | 179.8° | 179.9° |
| C28 | C26 | C25 | H24 | 179.7° | 179.9° |
| C26 | C28 | C29 | H27 | 179.7° | 179.9° |
| O6 | C27 | O7 | H26 | 119.2° | 118.6° |
| O6 | C27 | O7 | H25 | 119.2° | 118.9° |
| O6 | C27 | O7 | C28 | 20.3° | 26.0° |
| O6 | C27 | H26 | H25 | 122.3° | 122.8° |
| C27 | O7 | C28 | C29 | 167.3° | 163.3° |
| O7 | C27 | H26 | H25 | 122.3° | 122.6° |
| C28 | O7 | C27 | H26 | 99.0° | 92.6° |
| C28 | O7 | C27 | H25 | 139.5° | 144.8° |
| O7 | C28 | C29 | H27 | 0.5° | 0.1° |
| H10 | C11 | C12 | H11 | 0.0° | 0.0° |
| H12 | C13 | C3 | H3 | 56.6° | 55.2° |
| H15 | C17 | H16 | H14 | 120.0° | 120.0° |
| H19 | C19 | H17 | H18 | 120.0° | 120.0° |
| H2 | C2 | C4 | H4 | 125.5° | 38.2° |
| H1 | C2 | C4 | H4 | 2.7° | 161.3° |
| H22 | C21 | H21 | H20 | 120.0° | 120.0° |
| H3 | C3 | C4 | H4 | 145.8° | 164.2° |
| H4 | C4 | C5 | H5 | 58.2° | 52.9° |
| H5 | C5 | N1 | H6 | 76.7° | 154.5° |
