U99
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C13 | doub | 1.22Å | 1.21Å | |
| C13 | O6 | sing | 1.33Å | 1.35Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.52Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| O6 | C14 | sing | 1.44Å | 1.47Å | |
| C21 | C20 | sing | 1.52Å | 1.54Å | |
| C12 | C20 | sing | 1.54Å | 1.55Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C10 | C8 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.51Å | 1.49Å | |
| C14 | C19 | sing | 1.52Å | 1.52Å | |
| C20 | C19 | sing | 1.54Å | 1.54Å | |
| C20 | C22 | sing | 1.51Å | 1.56Å | |
| C16 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.35Å | 1.34Å | Aromatic |
| C8 | C22 | sing | 1.53Å | 1.56Å | |
| C8 | C5 | sing | 1.54Å | 1.56Å | |
| C15 | C18 | doub | 1.35Å | 1.34Å | Aromatic |
| O3 | C6 | doub | 1.21Å | 1.20Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C7 | O4 | sing | 1.45Å | 1.45Å | |
| C17 | O7 | sing | 1.34Å | 1.35Å | Aromatic |
| C6 | O4 | sing | 1.34Å | 1.33Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O8 | C23 | doub | 1.20Å | 1.21Å | |
| C23 | C3 | sing | 1.52Å | 1.52Å | |
| C18 | O7 | sing | 1.34Å | 1.36Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C2 | sing | 1.43Å | 1.41Å | |
| C2 | O1 | sing | 1.43Å | 1.39Å | |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.10Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.10Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.10Å | 1.10Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C17 | H23 | sing | 1.08Å | 1.08Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.12Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C13 | O6 | 118.3° | 120.1° |
| O5 | C13 | C12 | 124.9° | 119.3° |
| O6 | C13 | C12 | 116.7° | 120.6° |
| C13 | O6 | C14 | 121.1° | 124.7° |
| C13 | C12 | C11 | 114.3° | 111.8° |
| C13 | C12 | C20 | 111.2° | 108.1° |
| C13 | C12 | H20 | 106.2° | 109.0° |
| C12 | C11 | C10 | 110.0° | 109.6° |
| C11 | C12 | C20 | 112.4° | 110.1° |
| C12 | C11 | H19 | 109.4° | 108.8° |
| C12 | C11 | H18 | 109.3° | 111.0° |
| C11 | C12 | H20 | 106.1° | 109.1° |
| C11 | C10 | C8 | 114.2° | 111.2° |
| C11 | C10 | H17 | 108.3° | 108.3° |
| C11 | C10 | H16 | 108.3° | 109.3° |
| C10 | C11 | H19 | 109.3° | 108.6° |
| C10 | C11 | H18 | 109.4° | 110.6° |
| O6 | C14 | C15 | 106.2° | 109.1° |
| O6 | C14 | C19 | 111.3° | 114.4° |
| O6 | C14 | H21 | 109.0° | 109.1° |
| C21 | C20 | C12 | 111.8° | 110.1° |
| C21 | C20 | C19 | 108.4° | 108.3° |
| C21 | C20 | C22 | 113.4° | 113.5° |
| C20 | C21 | H28 | 109.5° | 109.5° |
| C20 | C21 | H27 | 109.5° | 109.5° |
| C20 | C21 | H29 | 109.5° | 109.5° |
| C12 | C20 | C19 | 105.2° | 105.5° |
| C12 | C20 | C22 | 106.9° | 109.1° |
| C20 | C12 | H20 | 105.8° | 108.7° |
| C9 | C8 | C10 | 109.7° | 109.2° |
| C9 | C8 | C22 | 111.6° | 112.3° |
| C9 | C8 | C5 | 110.3° | 107.5° |
| C8 | C9 | H15 | 109.5° | 109.5° |
| C8 | C9 | H14 | 109.5° | 109.5° |
| C8 | C9 | H13 | 109.5° | 109.5° |
| C10 | C8 | C22 | 108.5° | 111.1° |
| C10 | C8 | C5 | 109.9° | 109.6° |
| C8 | C10 | H17 | 108.3° | 109.8° |
| C8 | C10 | H16 | 108.3° | 109.3° |
| C15 | C14 | C19 | 113.4° | 108.6° |
| C14 | C15 | C16 | 127.6° | 126.6° |
| C14 | C15 | C18 | 126.8° | 126.6° |
| C15 | C14 | H21 | 108.6° | 106.7° |
| C14 | C19 | C20 | 112.5° | 110.3° |
| C19 | C14 | H21 | 108.3° | 108.7° |
| C14 | C19 | H26 | 108.7° | 110.0° |
| C14 | C19 | H25 | 108.7° | 109.9° |
| C19 | C20 | C22 | 110.7° | 110.0° |
| C20 | C19 | H26 | 108.7° | 108.7° |
| C20 | C19 | H25 | 108.7° | 108.8° |
| C20 | C22 | C8 | 117.6° | 115.6° |
| C20 | C22 | C23 | 115.8° | 114.4° |
| C20 | C22 | H30 | 104.3° | 106.1° |
| C15 | C16 | C17 | 107.2° | 106.8° |
| C16 | C15 | C18 | 105.7° | 106.9° |
| C15 | C16 | H22 | 126.4° | 126.6° |
| C16 | C17 | O7 | 110.2° | 108.5° |
| C17 | C16 | H22 | 126.4° | 126.6° |
| C16 | C17 | H23 | 124.9° | 125.7° |
| C22 | C8 | C5 | 106.8° | 107.1° |
| C8 | C22 | C23 | 108.8° | 108.6° |
| C8 | C22 | H30 | 104.2° | 105.8° |
| C8 | C5 | C6 | 112.8° | 109.4° |
| C8 | C5 | C4 | 111.7° | 111.2° |
| C8 | C5 | H9 | 107.0° | 108.4° |
| C15 | C18 | O7 | 110.6° | 108.4° |
| C15 | C18 | H24 | 124.7° | 125.8° |
| O3 | C6 | O4 | 123.4° | 120.0° |
| O3 | C6 | C5 | 124.7° | 120.0° |
| C22 | C23 | O8 | 124.0° | 123.7° |
| C22 | C23 | C3 | 114.8° | 115.8° |
| C23 | C22 | H30 | 104.6° | 105.4° |
| C7 | O4 | C6 | 116.0° | 117.0° |
| O4 | C7 | H12 | 109.5° | 109.5° |
| O4 | C7 | H10 | 109.5° | 109.4° |
| O4 | C7 | H11 | 109.5° | 109.4° |
| C17 | O7 | C18 | 106.3° | 109.5° |
| O7 | C17 | H23 | 124.9° | 125.8° |
| O4 | C6 | C5 | 112.0° | 120.0° |
| C6 | C5 | C4 | 110.1° | 109.0° |
| C6 | C5 | H9 | 107.6° | 109.1° |
| C5 | C4 | C3 | 110.7° | 112.0° |
| C5 | C4 | H8 | 109.1° | 108.3° |
| C5 | C4 | H7 | 109.2° | 111.0° |
| C4 | C5 | H9 | 107.3° | 109.6° |
| O8 | C23 | C3 | 121.2° | 120.4° |
| C23 | C3 | C4 | 110.5° | 109.2° |
| C23 | C3 | O2 | 111.1° | 109.2° |
| C23 | C3 | H6 | 108.1° | 109.2° |
| O7 | C18 | H24 | 124.7° | 125.7° |
| C4 | C3 | O2 | 109.7° | 109.8° |
| C4 | C3 | H6 | 108.1° | 109.9° |
| C3 | C4 | H8 | 109.2° | 108.2° |
| C3 | C4 | H7 | 109.2° | 110.0° |
| C3 | O2 | C2 | 114.9° | 114.0° |
| O2 | C3 | H6 | 109.3° | 109.5° |
| O2 | C2 | O1 | 113.2° | 109.5° |
| O2 | C2 | H5 | 108.5° | 109.5° |
| O2 | C2 | H4 | 108.5° | 109.5° |
| C2 | O1 | C1 | 112.6° | 114.0° |
| O1 | C2 | H5 | 108.6° | 109.5° |
| O1 | C2 | H4 | 108.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C2 | H4 | 109.5° | 109.5° |
| H8 | C4 | H7 | 109.5° | 107.1° |
| H17 | C10 | H16 | 109.5° | 108.9° |
| H19 | C11 | H18 | 109.5° | 108.1° |
| H26 | C19 | H25 | 109.5° | 109.2° |
| H28 | C21 | H27 | 109.5° | 109.4° |
| H28 | C21 | H29 | 109.4° | 109.5° |
| H27 | C21 | H29 | 109.5° | 109.4° |
| H12 | C7 | H10 | 109.5° | 109.5° |
| H12 | C7 | H11 | 109.4° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H15 | C9 | H14 | 109.5° | 109.5° |
| H15 | C9 | H13 | 109.4° | 109.5° |
| H14 | C9 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C13 | O6 | C12 | 177.0° | 180.0° |
| O5 | C13 | C12 | C11 | 7.4° | 24.2° |
| O5 | C13 | O6 | C14 | 145.3° | 174.5° |
| O5 | C13 | C12 | C20 | 136.0° | 145.5° |
| O5 | C13 | C12 | H20 | 109.3° | 96.5° |
| O6 | C13 | C12 | C11 | 175.8° | 155.8° |
| O6 | C13 | C12 | C20 | 47.2° | 34.5° |
| C13 | O6 | C14 | C15 | 162.1° | 127.7° |
| C13 | O6 | C14 | C19 | 38.3° | 5.9° |
| O6 | C13 | C12 | H20 | 67.5° | 83.5° |
| C13 | O6 | C14 | H21 | 81.1° | 116.1° |
| C13 | C12 | C11 | C20 | 128.0° | 120.1° |
| C13 | C12 | C11 | H20 | 116.7° | 120.7° |
| C13 | C12 | C11 | C10 | 171.4° | 177.7° |
| C12 | C13 | O6 | C14 | 37.7° | 5.5° |
| C13 | C12 | C20 | C21 | 61.1° | 55.0° |
| C13 | C12 | C20 | H20 | 114.9° | 118.2° |
| C13 | C12 | C20 | C19 | 56.5° | 61.7° |
| C13 | C12 | C20 | C22 | 174.2° | 179.9° |
| C13 | C12 | C11 | H19 | 68.6° | 59.1° |
| C13 | C12 | C11 | H18 | 51.3° | 59.8° |
| C12 | C11 | C10 | H19 | 120.1° | 118.8° |
| C12 | C11 | C10 | H18 | 120.1° | 122.8° |
| C11 | C12 | C20 | C21 | 68.6° | 67.4° |
| C11 | C12 | C20 | H20 | 115.4° | 119.5° |
| C12 | C11 | C10 | C8 | 57.4° | 58.8° |
| C11 | C12 | C20 | C19 | 173.9° | 176.0° |
| C11 | C12 | C20 | C22 | 56.1° | 57.8° |
| C12 | C11 | C10 | H17 | 178.1° | 179.6° |
| C12 | C11 | C10 | H16 | 63.3° | 61.9° |
| C12 | C11 | H19 | H18 | 119.7° | 120.7° |
| C10 | C11 | C12 | C20 | 60.6° | 62.1° |
| C11 | C10 | C8 | C9 | 72.1° | 73.1° |
| C11 | C10 | C8 | H17 | 120.7° | 119.9° |
| C11 | C10 | C8 | H16 | 120.7° | 120.7° |
| C11 | C10 | C8 | C22 | 50.0° | 51.3° |
| C11 | C10 | C8 | C5 | 166.4° | 169.4° |
| C11 | C10 | H17 | H16 | 117.8° | 118.7° |
| C10 | C11 | H19 | H18 | 119.8° | 120.0° |
| C10 | C11 | C12 | H20 | 54.6° | 57.1° |
| O6 | C14 | C15 | C19 | 122.5° | 125.2° |
| O6 | C14 | C15 | H21 | 117.1° | 117.7° |
| O6 | C14 | C19 | H21 | 119.8° | 122.2° |
| O6 | C14 | C19 | C20 | 50.2° | 36.0° |
| O6 | C14 | C15 | C16 | 35.4° | 140.1° |
| O6 | C14 | C15 | C18 | 144.5° | 40.2° |
| O6 | C14 | C19 | H26 | 70.3° | 83.9° |
| O6 | C14 | C19 | H25 | 170.6° | 155.9° |
| C21 | C20 | C12 | C19 | 117.5° | 116.7° |
| C21 | C20 | C12 | C22 | 124.7° | 125.2° |
| C21 | C20 | C19 | C14 | 59.9° | 53.8° |
| C21 | C20 | C19 | C22 | 125.0° | 124.6° |
| C21 | C20 | C22 | C8 | 71.8° | 70.8° |
| C21 | C20 | C22 | C23 | 59.2° | 56.6° |
| C21 | C20 | C12 | H20 | 176.0° | 173.2° |
| C21 | C20 | C19 | H26 | 179.7° | 174.5° |
| C21 | C20 | C19 | H25 | 60.6° | 66.8° |
| C20 | C21 | H28 | H27 | 120.0° | 120.0° |
| C20 | C21 | H28 | H29 | 120.0° | 120.0° |
| C20 | C21 | H27 | H29 | 120.0° | 120.0° |
| C21 | C20 | C22 | H30 | 173.5° | 172.3° |
| C12 | C20 | C19 | C14 | 59.9° | 64.0° |
| C12 | C20 | C19 | C22 | 115.1° | 117.6° |
| C12 | C20 | C22 | C8 | 51.9° | 52.4° |
| C12 | C20 | C22 | C23 | 177.1° | 179.7° |
| C20 | C12 | C11 | H19 | 59.5° | 179.2° |
| C20 | C12 | C11 | H18 | 179.3° | 60.4° |
| C12 | C20 | C19 | H26 | 60.5° | 56.6° |
| C12 | C20 | C19 | H25 | 179.6° | 175.4° |
| C12 | C20 | C21 | H28 | 180.0° | 53.1° |
| C12 | C20 | C21 | H27 | 60.0° | 173.1° |
| C12 | C20 | C21 | H29 | 60.0° | 66.9° |
| C12 | C20 | C22 | H30 | 62.8° | 64.6° |
| C9 | C8 | C10 | C22 | 122.1° | 124.4° |
| C9 | C8 | C10 | C5 | 121.5° | 117.5° |
| C9 | C8 | C22 | C20 | 71.9° | 72.9° |
| C9 | C8 | C22 | C5 | 120.7° | 117.8° |
| C9 | C8 | C22 | C23 | 62.2° | 57.3° |
| C9 | C8 | C5 | C6 | 64.3° | 61.9° |
| C9 | C8 | C5 | C4 | 60.3° | 58.6° |
| C9 | C8 | C5 | H9 | 177.5° | 179.1° |
| C9 | C8 | C10 | H17 | 48.6° | 46.8° |
| C9 | C8 | C10 | H16 | 167.2° | 166.2° |
| C9 | C8 | C22 | H30 | 173.3° | 170.0° |
| C8 | C9 | H15 | H14 | 120.0° | 120.0° |
| C8 | C9 | H15 | H13 | 120.0° | 120.0° |
| C8 | C9 | H14 | H13 | 120.0° | 119.9° |
| C10 | C8 | C22 | C20 | 49.0° | 49.6° |
| C10 | C8 | C22 | C5 | 118.4° | 119.6° |
| C10 | C8 | C22 | C23 | 176.9° | 179.8° |
| C10 | C8 | C5 | C6 | 56.7° | 56.6° |
| C10 | C8 | C5 | C4 | 178.6° | 177.1° |
| C10 | C8 | C5 | H9 | 61.4° | 62.3° |
| C8 | C10 | H17 | H16 | 117.9° | 119.6° |
| C8 | C10 | C11 | H19 | 62.7° | 177.6° |
| C8 | C10 | C11 | H18 | 177.5° | 64.0° |
| C10 | C8 | C22 | H30 | 65.8° | 67.5° |
| C10 | C8 | C9 | H15 | 180.0° | 67.6° |
| C10 | C8 | C9 | H14 | 60.0° | 172.4° |
| C10 | C8 | C9 | H13 | 60.0° | 52.5° |
| C15 | C14 | C19 | H21 | 120.6° | 115.8° |
| C15 | C14 | C19 | C20 | 169.8° | 158.0° |
| C14 | C15 | C16 | C18 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C14 | C15 | C18 | O7 | 180.0° | 179.9° |
| C14 | C15 | C16 | H22 | 0.0° | 0.1° |
| C14 | C15 | C18 | H24 | 0.0° | 0.0° |
| C15 | C14 | C19 | H26 | 49.3° | 38.1° |
| C15 | C14 | C19 | H25 | 69.8° | 82.1° |
| C14 | C19 | C20 | H26 | 120.5° | 120.6° |
| C14 | C19 | C20 | H25 | 120.4° | 120.6° |
| C14 | C19 | C20 | C22 | 175.1° | 178.4° |
| C19 | C14 | C15 | C16 | 158.0° | 94.7° |
| C19 | C14 | C15 | C18 | 22.0° | 85.0° |
| C14 | C19 | H26 | H25 | 118.6° | 120.6° |
| C19 | C20 | C22 | C8 | 166.0° | 167.7° |
| C19 | C20 | C22 | C23 | 63.0° | 65.0° |
| C19 | C20 | C12 | H20 | 58.5° | 56.5° |
| C20 | C19 | C14 | H21 | 69.6° | 86.2° |
| C20 | C19 | H26 | H25 | 118.6° | 118.5° |
| C19 | C20 | C21 | H28 | 64.4° | 168.0° |
| C19 | C20 | C21 | H27 | 55.6° | 72.0° |
| C19 | C20 | C21 | H29 | 175.6° | 48.0° |
| C19 | C20 | C22 | H30 | 51.3° | 50.7° |
| C20 | C22 | C8 | C23 | 134.1° | 130.2° |
| C20 | C22 | C8 | H30 | 114.8° | 117.1° |
| C20 | C22 | C8 | C5 | 167.4° | 169.3° |
| C20 | C22 | C23 | H30 | 114.1° | 116.1° |
| C20 | C22 | C23 | O8 | 12.2° | 8.4° |
| C20 | C22 | C23 | C3 | 167.2° | 170.9° |
| C22 | C20 | C12 | H20 | 59.3° | 61.7° |
| C22 | C20 | C19 | H26 | 54.6° | 60.9° |
| C22 | C20 | C19 | H25 | 64.5° | 57.8° |
| C22 | C20 | C21 | H28 | 59.0° | 69.5° |
| C22 | C20 | C21 | H27 | 179.0° | 50.5° |
| C22 | C20 | C21 | H29 | 61.0° | 170.5° |
| C15 | C16 | C17 | H22 | 180.0° | 179.9° |
| C15 | C16 | C17 | O7 | 0.0° | 0.0° |
| C16 | C15 | C18 | O7 | 0.0° | 0.4° |
| C16 | C15 | C14 | H21 | 81.6° | 22.4° |
| C15 | C16 | C17 | H23 | 180.0° | 180.0° |
| C16 | C15 | C18 | H24 | 179.9° | 179.7° |
| C17 | C16 | C15 | C18 | 0.0° | 0.3° |
| C16 | C17 | O7 | H23 | 180.0° | 180.0° |
| C16 | C17 | O7 | C18 | 0.1° | 0.2° |
| C8 | C22 | C23 | H30 | 110.8° | 113.0° |
| C22 | C8 | C5 | C6 | 174.2° | 177.2° |
| C22 | C8 | C5 | C4 | 61.1° | 62.3° |
| C8 | C22 | C23 | O8 | 122.9° | 122.5° |
| C8 | C22 | C23 | C3 | 57.7° | 58.3° |
| C22 | C8 | C5 | H9 | 56.1° | 58.2° |
| C22 | C8 | C10 | H17 | 170.6° | 171.2° |
| C22 | C8 | C10 | H16 | 70.7° | 69.4° |
| C22 | C8 | C9 | H15 | 59.8° | 168.8° |
| C22 | C8 | C9 | H14 | 60.2° | 48.7° |
| C22 | C8 | C9 | H13 | 179.8° | 71.2° |
| C8 | C5 | C6 | O3 | 77.0° | 1.9° |
| C5 | C8 | C22 | C23 | 58.4° | 60.5° |
| C8 | C5 | C6 | O4 | 101.8° | 178.3° |
| C8 | C5 | C6 | C4 | 125.5° | 121.8° |
| C8 | C5 | C6 | H9 | 117.8° | 118.5° |
| C8 | C5 | C4 | H9 | 117.0° | 119.9° |
| C8 | C5 | C4 | C3 | 58.8° | 57.7° |
| C8 | C5 | C4 | H8 | 61.3° | 177.0° |
| C8 | C5 | C4 | H7 | 179.0° | 65.7° |
| C5 | C8 | C10 | H17 | 72.9° | 70.7° |
| C5 | C8 | C10 | H16 | 45.7° | 48.7° |
| C5 | C8 | C22 | H30 | 52.7° | 52.2° |
| C5 | C8 | C9 | H15 | 58.8° | 51.2° |
| C5 | C8 | C9 | H14 | 178.8° | 68.8° |
| C5 | C8 | C9 | H13 | 61.2° | 171.3° |
| C15 | C18 | O7 | C17 | 0.1° | 0.3° |
| C15 | C18 | O7 | H24 | 180.0° | 179.9° |
| C18 | C15 | C14 | H21 | 98.4° | 158.0° |
| C18 | C15 | C16 | H22 | 180.0° | 179.8° |
| O3 | C6 | O4 | C7 | 3.7° | 0.1° |
| O3 | C6 | O4 | C5 | 178.8° | 179.8° |
| O3 | C6 | C5 | C4 | 48.5° | 119.9° |
| O3 | C6 | C5 | H9 | 165.2° | 120.4° |
| C22 | C23 | O8 | C3 | 179.4° | 179.2° |
| C22 | C23 | C3 | C4 | 54.1° | 51.5° |
| C22 | C23 | C3 | O2 | 176.1° | 171.6° |
| C22 | C23 | C3 | H6 | 63.9° | 68.7° |
| C7 | O4 | C6 | C5 | 175.2° | 180.0° |
| O4 | C7 | H12 | H10 | 120.0° | 119.9° |
| O4 | C7 | H12 | H11 | 120.0° | 120.0° |
| O4 | C7 | H10 | H11 | 120.0° | 119.9° |
| O7 | C17 | C16 | H22 | 180.0° | 180.0° |
| C17 | O7 | C18 | H24 | 179.9° | 179.7° |
| O4 | C6 | C5 | C4 | 132.7° | 59.9° |
| O4 | C6 | C5 | H9 | 16.0° | 59.8° |
| C6 | O4 | C7 | H12 | 180.0° | 180.0° |
| C6 | O4 | C7 | H10 | 60.0° | 60.0° |
| C6 | O4 | C7 | H11 | 60.0° | 59.9° |
| C6 | C5 | C4 | H9 | 116.8° | 119.4° |
| C6 | C5 | C4 | C3 | 175.0° | 178.5° |
| C6 | C5 | C4 | H8 | 64.8° | 62.3° |
| C6 | C5 | C4 | H7 | 54.8° | 55.1° |
| C5 | C4 | C3 | C23 | 52.6° | 49.5° |
| C5 | C4 | C3 | H8 | 120.2° | 119.3° |
| C5 | C4 | C3 | H7 | 120.2° | 124.0° |
| C5 | C4 | C3 | O2 | 175.5° | 169.3° |
| C5 | C4 | C3 | H6 | 65.4° | 70.2° |
| C5 | C4 | H8 | H7 | 119.4° | 119.8° |
| O8 | C23 | C3 | C4 | 126.4° | 129.3° |
| O8 | C23 | C3 | O2 | 4.4° | 9.1° |
| O8 | C23 | C3 | H6 | 115.5° | 110.6° |
| O8 | C23 | C22 | H30 | 126.3° | 124.5° |
| C23 | C3 | C4 | O2 | 122.9° | 119.8° |
| C23 | C3 | C4 | H6 | 118.0° | 119.7° |
| C23 | C3 | O2 | H6 | 119.2° | 119.5° |
| C23 | C3 | O2 | C2 | 66.6° | 89.6° |
| C23 | C3 | C4 | H8 | 67.5° | 168.8° |
| C23 | C3 | C4 | H7 | 172.8° | 74.5° |
| C3 | C23 | C22 | H30 | 53.2° | 54.7° |
| C18 | O7 | C17 | H23 | 179.9° | 179.8° |
| C4 | C3 | O2 | H6 | 118.3° | 120.7° |
| C4 | C3 | O2 | C2 | 170.9° | 150.7° |
| C3 | C4 | H8 | H7 | 119.5° | 118.6° |
| C3 | C4 | C5 | H9 | 58.2° | 62.1° |
| C3 | O2 | C2 | O1 | 145.6° | 75.0° |
| C3 | O2 | C2 | H5 | 25.0° | 165.0° |
| C3 | O2 | C2 | H4 | 93.8° | 45.0° |
| O2 | C3 | C4 | H8 | 55.3° | 71.4° |
| O2 | C3 | C4 | H7 | 64.3° | 45.3° |
| O2 | C2 | O1 | H5 | 120.6° | 120.0° |
| O2 | C2 | O1 | H4 | 120.5° | 120.0° |
| O2 | C2 | O1 | C1 | 61.1° | 75.0° |
| O2 | C2 | H5 | H4 | 118.3° | 120.0° |
| C2 | O2 | C3 | H6 | 52.6° | 30.0° |
| C2 | O1 | C1 | H1 | 180.0° | 180.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | H5 | H4 | 118.3° | 120.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | O1 | C2 | H5 | 59.5° | 45.0° |
| C1 | O1 | C2 | H4 | 178.4° | 165.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H6 | C3 | C4 | H8 | 174.4° | 49.1° |
| H6 | C3 | C4 | H7 | 54.8° | 165.8° |
| H8 | C4 | C5 | H9 | 178.4° | 57.1° |
| H7 | C4 | C5 | H9 | 62.0° | 174.5° |
| H17 | C10 | C11 | H19 | 58.0° | 61.6° |
| H17 | C10 | C11 | H18 | 61.8° | 56.8° |
| H16 | C10 | C11 | H19 | 176.6° | 56.9° |
| H16 | C10 | C11 | H18 | 56.8° | 175.3° |
| H19 | C11 | C12 | H20 | 174.7° | 61.6° |
| H18 | C11 | C12 | H20 | 65.5° | 179.6° |
| H21 | C14 | C19 | H26 | 169.9° | 153.9° |
| H21 | C14 | C19 | H25 | 50.8° | 33.7° |
| H22 | C16 | C17 | H23 | 0.0° | 0.0° |
| H28 | C21 | H27 | H29 | 120.0° | 120.0° |
| H12 | C7 | H10 | H11 | 120.0° | 120.1° |
| H15 | C9 | H14 | H13 | 119.9° | 120.0° |
