S8Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.41Å | |
| C04 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| O02 | C03 | sing | 1.36Å | 1.40Å | |
| C08 | C07 | sing | 1.51Å | 1.54Å | |
| C03 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.54Å | |
| C06 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | N09 | doub | 1.29Å | 1.26Å | |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | O24 | sing | 1.36Å | 1.41Å | |
| N09 | O10 | sing | 1.42Å | 1.41Å | |
| O24 | C25 | sing | 1.43Å | 1.40Å | |
| O10 | C11 | sing | 1.43Å | 1.43Å | |
| C25 | C29 | sing | 1.55Å | 1.38Å | |
| C25 | C26 | sing | 1.55Å | 1.57Å | |
| O13 | C12 | doub | 1.21Å | 1.19Å | |
| C29 | C28 | sing | 1.54Å | 1.65Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C12 | N14 | sing | 1.35Å | 1.46Å | |
| C26 | C27 | sing | 1.54Å | 1.59Å | |
| C28 | C27 | sing | 1.54Å | 1.36Å | |
| N14 | C15 | sing | 1.47Å | 1.45Å | |
| N14 | C21 | sing | 1.47Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C21 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | O18 | sing | 1.43Å | 1.42Å | |
| C19 | O18 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | 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 | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.09Å | 1.10Å | |
| C01 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.08Å | 1.08Å | |
| C05 | H20 | sing | 1.08Å | 1.08Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 119.0° | 117.0° |
| O02 | C01 | H16 | 109.5° | 109.4° |
| O02 | C01 | H17 | 109.5° | 109.5° |
| O02 | C01 | H18 | 109.5° | 109.4° |
| C05 | C04 | C03 | 118.4° | 120.1° |
| C04 | C05 | C06 | 123.2° | 120.0° |
| C05 | C04 | H19 | 120.8° | 120.0° |
| C04 | C05 | H20 | 118.4° | 120.0° |
| C04 | C03 | O02 | 121.8° | 119.9° |
| C04 | C03 | C23 | 118.8° | 120.2° |
| C03 | C04 | H19 | 120.8° | 119.9° |
| C05 | C06 | C07 | 120.5° | 120.1° |
| C05 | C06 | C22 | 117.8° | 119.8° |
| C06 | C05 | H20 | 118.4° | 120.0° |
| O02 | C03 | C23 | 119.3° | 120.0° |
| C08 | C07 | C06 | 119.0° | 120.0° |
| C08 | C07 | N09 | 114.4° | 120.0° |
| C07 | C08 | H21 | 109.5° | 109.5° |
| C07 | C08 | H22 | 109.5° | 109.4° |
| C07 | C08 | H23 | 109.5° | 109.4° |
| C03 | C23 | C22 | 122.9° | 120.1° |
| C03 | C23 | O24 | 117.0° | 120.0° |
| C07 | C06 | C22 | 121.7° | 120.1° |
| C06 | C07 | N09 | 126.6° | 120.0° |
| C06 | C22 | C23 | 118.8° | 119.8° |
| C06 | C22 | H11 | 120.6° | 120.1° |
| C07 | N09 | O10 | 130.1° | 120.1° |
| C22 | C23 | O24 | 120.1° | 120.0° |
| C23 | C22 | H11 | 120.6° | 120.1° |
| C23 | O24 | C25 | 110.9° | 117.0° |
| N09 | O10 | C11 | 113.0° | 114.0° |
| O24 | C25 | C29 | 110.5° | 110.8° |
| O24 | C25 | C26 | 105.1° | 110.8° |
| O24 | C25 | H28 | 113.3° | 110.8° |
| O10 | C11 | C12 | 112.6° | 109.4° |
| O10 | C11 | H24 | 108.7° | 109.4° |
| O10 | C11 | H25 | 108.7° | 109.5° |
| C29 | C25 | C26 | 102.8° | 102.8° |
| C25 | C29 | C28 | 103.6° | 104.2° |
| C29 | C25 | H28 | 113.7° | 110.8° |
| C25 | C29 | H31 | 110.9° | 110.5° |
| C25 | C29 | H32 | 110.9° | 110.5° |
| C25 | C26 | C27 | 102.9° | 104.2° |
| C25 | C26 | H12 | 111.1° | 110.5° |
| C25 | C26 | H13 | 111.1° | 110.6° |
| C26 | C25 | H28 | 110.6° | 110.8° |
| O13 | C12 | C11 | 120.7° | 120.0° |
| O13 | C12 | N14 | 118.6° | 120.0° |
| C29 | C28 | C27 | 106.6° | 106.6° |
| C29 | C28 | H14 | 110.1° | 110.0° |
| C29 | C28 | H15 | 110.2° | 110.1° |
| C28 | C29 | H31 | 110.9° | 110.5° |
| C28 | C29 | H32 | 110.9° | 110.5° |
| C11 | C12 | N14 | 120.8° | 120.0° |
| C12 | C11 | H24 | 108.7° | 109.5° |
| C12 | C11 | H25 | 108.7° | 109.5° |
| C12 | N14 | C15 | 123.1° | 121.0° |
| C12 | N14 | C21 | 122.9° | 121.0° |
| C26 | C27 | C28 | 107.3° | 106.6° |
| C27 | C26 | H12 | 111.1° | 110.5° |
| C27 | C26 | H13 | 111.1° | 110.5° |
| C26 | C27 | H29 | 110.0° | 110.0° |
| C26 | C27 | H30 | 110.0° | 110.1° |
| C27 | C28 | H14 | 110.2° | 110.0° |
| C27 | C28 | H15 | 110.2° | 110.1° |
| C28 | C27 | H29 | 110.0° | 110.0° |
| C28 | C27 | H30 | 110.0° | 110.0° |
| C15 | N14 | C21 | 114.0° | 118.1° |
| N14 | C15 | C16 | 119.1° | 108.4° |
| N14 | C15 | H1 | 107.0° | 109.7° |
| N14 | C15 | H2 | 107.0° | 109.7° |
| N14 | C21 | C19 | 117.0° | 108.4° |
| N14 | C21 | H9 | 107.6° | 109.7° |
| N14 | C21 | H10 | 107.5° | 109.7° |
| C15 | C16 | C17 | 113.2° | 109.5° |
| C15 | C16 | O18 | 115.3° | 109.2° |
| C16 | C15 | H1 | 107.0° | 109.7° |
| C16 | C15 | H2 | 107.0° | 109.7° |
| C15 | C16 | H26 | 105.8° | 109.5° |
| C21 | C19 | O18 | 116.9° | 109.3° |
| C21 | C19 | C20 | 111.1° | 109.5° |
| C19 | C21 | H9 | 107.5° | 109.7° |
| C19 | C21 | H10 | 107.6° | 109.6° |
| C21 | C19 | H27 | 106.0° | 109.5° |
| C17 | C16 | O18 | 108.9° | 109.6° |
| C16 | C17 | H3 | 109.5° | 109.5° |
| C16 | C17 | H4 | 109.5° | 109.4° |
| C16 | C17 | H5 | 109.5° | 109.5° |
| C17 | C16 | H26 | 105.7° | 109.5° |
| C16 | O18 | C19 | 118.2° | 114.2° |
| O18 | C16 | H26 | 107.2° | 109.6° |
| O18 | C19 | C20 | 108.6° | 109.5° |
| O18 | C19 | H27 | 107.4° | 109.5° |
| C19 | C20 | H6 | 109.5° | 109.5° |
| C19 | C20 | H7 | 109.5° | 109.5° |
| C19 | C20 | H8 | 109.5° | 109.5° |
| C20 | C19 | H27 | 106.1° | 109.5° |
| H1 | C15 | H2 | 109.5° | 109.8° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H6 | C20 | H7 | 109.4° | 109.4° |
| H6 | C20 | H8 | 109.4° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.7° |
| H12 | C26 | H13 | 109.5° | 110.4° |
| H14 | C28 | H15 | 109.5° | 110.0° |
| H16 | C01 | H17 | 109.4° | 109.5° |
| H16 | C01 | H18 | 109.5° | 109.5° |
| H17 | C01 | H18 | 109.5° | 109.5° |
| H21 | C08 | H22 | 109.5° | 109.5° |
| H21 | C08 | H23 | 109.5° | 109.5° |
| H22 | C08 | H23 | 109.5° | 109.5° |
| H24 | C11 | H25 | 109.5° | 109.5° |
| H29 | C27 | H30 | 109.5° | 110.0° |
| H31 | C29 | H32 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 9.2° | 0.1° |
| C01 | O02 | C03 | C23 | 170.1° | 180.0° |
| O02 | C01 | H16 | H17 | 120.0° | 120.0° |
| O02 | C01 | H16 | H18 | 120.0° | 120.0° |
| O02 | C01 | H17 | H18 | 120.0° | 120.0° |
| C05 | C04 | C03 | H19 | 180.0° | 179.7° |
| C04 | C05 | C06 | H20 | 180.0° | 179.7° |
| C05 | C04 | C03 | O02 | 179.9° | 179.7° |
| C05 | C04 | C03 | C23 | 0.6° | 0.2° |
| C04 | C05 | C06 | C07 | 178.4° | 180.0° |
| C04 | C05 | C06 | C22 | 0.2° | 0.0° |
| C03 | C04 | C05 | C06 | 0.7° | 0.2° |
| C04 | C03 | O02 | C23 | 179.3° | 179.9° |
| C04 | C03 | C23 | C22 | 0.0° | 0.0° |
| C04 | C03 | C23 | O24 | 179.1° | 179.9° |
| C03 | C04 | C05 | H20 | 179.3° | 180.0° |
| C05 | C06 | C07 | C08 | 29.2° | 146.5° |
| C05 | C06 | C07 | C22 | 178.5° | 179.9° |
| C05 | C06 | C07 | N09 | 153.7° | 33.6° |
| C05 | C06 | C22 | C23 | 0.4° | 0.3° |
| C05 | C06 | C22 | H11 | 179.6° | 180.0° |
| C06 | C05 | C04 | H19 | 179.3° | 180.0° |
| O02 | C03 | C23 | C22 | 179.3° | 180.0° |
| O02 | C03 | C23 | O24 | 0.3° | 0.0° |
| C03 | O02 | C01 | H16 | 180.0° | 60.0° |
| C03 | O02 | C01 | H17 | 60.0° | 180.0° |
| C03 | O02 | C01 | H18 | 60.0° | 60.0° |
| O02 | C03 | C04 | H19 | 0.1° | 0.1° |
| C08 | C07 | C06 | N09 | 177.1° | 179.9° |
| C08 | C07 | C06 | C22 | 149.3° | 33.5° |
| C08 | C07 | N09 | O10 | 179.0° | 173.6° |
| C07 | C08 | H21 | H22 | 120.0° | 119.9° |
| C07 | C08 | H21 | H23 | 120.0° | 120.0° |
| C07 | C08 | H22 | H23 | 120.0° | 119.9° |
| C03 | C23 | C22 | C06 | 0.5° | 0.3° |
| C03 | C23 | C22 | O24 | 179.0° | 180.0° |
| C03 | C23 | O24 | C25 | 158.4° | 174.5° |
| C03 | C23 | C22 | H11 | 179.5° | 180.0° |
| C23 | C03 | C04 | H19 | 179.4° | 180.0° |
| C07 | C06 | C22 | C23 | 178.9° | 179.8° |
| C06 | C07 | N09 | O10 | 1.7° | 6.4° |
| C07 | C06 | C22 | H11 | 1.1° | 0.1° |
| C07 | C06 | C05 | H20 | 1.6° | 0.2° |
| C06 | C07 | C08 | H21 | 180.0° | 90.0° |
| C06 | C07 | C08 | H22 | 60.0° | 150.0° |
| C06 | C07 | C08 | H23 | 60.0° | 30.1° |
| C22 | C06 | C07 | N09 | 27.8° | 146.5° |
| C06 | C22 | C23 | H11 | 180.0° | 179.7° |
| C06 | C22 | C23 | O24 | 179.5° | 179.7° |
| C22 | C06 | C05 | H20 | 179.8° | 179.7° |
| C07 | N09 | O10 | C11 | 170.1° | 175.0° |
| N09 | C07 | C08 | H21 | 2.6° | 90.0° |
| N09 | C07 | C08 | H22 | 117.4° | 30.0° |
| N09 | C07 | C08 | H23 | 122.6° | 150.0° |
| C22 | C23 | O24 | C25 | 20.7° | 5.5° |
| C23 | O24 | C25 | C29 | 142.2° | 157.8° |
| C23 | O24 | C25 | C26 | 107.6° | 88.8° |
| O24 | C23 | C22 | H11 | 0.5° | 0.0° |
| C23 | O24 | C25 | H28 | 13.3° | 34.5° |
| N09 | O10 | C11 | C12 | 47.1° | 175.0° |
| N09 | O10 | C11 | H24 | 73.4° | 55.1° |
| N09 | O10 | C11 | H25 | 167.5° | 65.0° |
| O24 | C25 | C29 | C26 | 111.7° | 118.3° |
| O24 | C25 | C29 | H28 | 128.7° | 123.3° |
| O24 | C25 | C26 | H28 | 122.6° | 123.3° |
| O24 | C25 | C29 | C28 | 71.5° | 156.3° |
| O24 | C25 | C26 | C27 | 79.3° | 156.3° |
| O24 | C25 | C26 | H12 | 161.7° | 85.1° |
| O24 | C25 | C26 | H13 | 39.6° | 37.6° |
| O24 | C25 | C29 | H31 | 47.5° | 85.0° |
| O24 | C25 | C29 | H32 | 169.4° | 37.6° |
| O10 | C11 | C12 | O13 | 73.1° | 3.1° |
| O10 | C11 | C12 | H24 | 120.5° | 119.9° |
| O10 | C11 | C12 | H25 | 120.5° | 120.0° |
| O10 | C11 | C12 | N14 | 107.9° | 176.9° |
| O10 | C11 | H24 | H25 | 118.6° | 120.0° |
| C29 | C25 | C26 | H28 | 121.7° | 118.3° |
| C25 | C29 | C28 | H31 | 119.0° | 118.7° |
| C25 | C29 | C28 | H32 | 119.1° | 118.6° |
| C29 | C25 | C26 | C27 | 36.4° | 37.9° |
| C25 | C29 | C28 | C27 | 32.1° | 23.6° |
| C29 | C25 | C26 | H12 | 82.6° | 156.6° |
| C29 | C25 | C26 | H13 | 155.3° | 80.8° |
| C25 | C29 | C28 | H14 | 87.5° | 95.7° |
| C25 | C29 | C28 | H15 | 151.6° | 142.9° |
| C25 | C29 | H31 | H32 | 122.8° | 122.6° |
| C26 | C25 | C29 | C28 | 40.2° | 37.9° |
| C25 | C26 | C27 | H12 | 118.9° | 118.7° |
| C25 | C26 | C27 | H13 | 119.0° | 118.8° |
| C25 | C26 | C27 | C28 | 15.7° | 23.6° |
| C25 | C26 | H12 | H13 | 123.0° | 122.7° |
| C25 | C26 | C27 | H29 | 135.3° | 95.7° |
| C25 | C26 | C27 | H30 | 104.0° | 142.9° |
| C26 | C25 | C29 | H31 | 159.3° | 156.6° |
| C26 | C25 | C29 | H32 | 78.8° | 80.7° |
| O13 | C12 | C11 | N14 | 179.0° | 180.0° |
| O13 | C12 | N14 | C15 | 2.7° | 4.2° |
| O13 | C12 | N14 | C21 | 179.7° | 175.9° |
| O13 | C12 | C11 | H24 | 47.4° | 123.0° |
| O13 | C12 | C11 | H25 | 166.4° | 116.9° |
| C29 | C28 | C27 | C26 | 7.6° | 0.0° |
| C29 | C28 | C27 | H14 | 119.5° | 119.3° |
| C29 | C28 | C27 | H15 | 119.5° | 119.4° |
| C29 | C28 | H14 | H15 | 121.3° | 121.4° |
| C28 | C29 | C25 | H28 | 159.8° | 80.4° |
| C29 | C28 | C27 | H29 | 112.1° | 119.3° |
| C29 | C28 | C27 | H30 | 127.3° | 119.3° |
| C28 | C29 | H31 | H32 | 122.7° | 122.6° |
| C11 | C12 | N14 | C15 | 178.2° | 175.8° |
| C11 | C12 | N14 | C21 | 1.2° | 4.1° |
| C12 | C11 | H24 | H25 | 118.6° | 120.0° |
| C12 | N14 | C15 | C21 | 177.3° | 179.9° |
| C12 | N14 | C15 | C16 | 174.3° | 129.5° |
| C12 | N14 | C21 | C19 | 144.1° | 129.5° |
| C12 | N14 | C15 | H1 | 64.3° | 110.8° |
| C12 | N14 | C15 | H2 | 53.0° | 9.8° |
| C12 | N14 | C21 | H9 | 23.1° | 9.8° |
| C12 | N14 | C21 | H10 | 94.8° | 110.8° |
| N14 | C12 | C11 | H24 | 131.6° | 56.9° |
| N14 | C12 | C11 | H25 | 12.6° | 63.1° |
| C26 | C27 | C28 | H29 | 119.7° | 119.3° |
| C26 | C27 | C28 | H30 | 119.7° | 119.3° |
| C27 | C26 | H12 | H13 | 123.0° | 122.5° |
| C26 | C27 | C28 | H14 | 111.9° | 119.3° |
| C26 | C27 | C28 | H15 | 127.1° | 119.3° |
| C27 | C26 | C25 | H28 | 158.1° | 80.4° |
| C26 | C27 | H29 | H30 | 121.0° | 121.4° |
| C28 | C27 | C26 | H12 | 103.3° | 142.3° |
| C28 | C27 | C26 | H13 | 134.6° | 95.2° |
| C27 | C28 | H14 | H15 | 121.3° | 121.4° |
| C28 | C27 | H29 | H30 | 121.0° | 121.4° |
| C27 | C28 | C29 | H31 | 151.1° | 142.3° |
| C27 | C28 | C29 | H32 | 87.0° | 95.1° |
| N14 | C15 | C16 | H1 | 121.4° | 119.7° |
| N14 | C15 | C16 | H2 | 121.4° | 119.7° |
| C15 | N14 | C21 | C19 | 38.6° | 50.5° |
| N14 | C15 | C16 | C17 | 96.8° | 67.6° |
| N14 | C15 | C16 | O18 | 29.6° | 52.4° |
| N14 | C15 | H1 | H2 | 115.6° | 120.6° |
| C15 | N14 | C21 | H9 | 159.6° | 170.3° |
| C15 | N14 | C21 | H10 | 82.5° | 69.2° |
| N14 | C15 | C16 | H26 | 147.8° | 172.3° |
| C21 | N14 | C15 | C16 | 8.4° | 50.6° |
| N14 | C21 | C19 | H9 | 121.1° | 119.8° |
| N14 | C21 | C19 | H10 | 121.1° | 119.7° |
| N14 | C21 | C19 | O18 | 32.7° | 52.3° |
| N14 | C21 | C19 | C20 | 92.8° | 172.2° |
| C21 | N14 | C15 | H1 | 112.9° | 69.1° |
| C21 | N14 | C15 | H2 | 129.8° | 170.2° |
| N14 | C21 | H9 | H10 | 116.6° | 120.6° |
| N14 | C21 | C19 | H27 | 152.4° | 67.7° |
| C15 | C16 | C17 | O18 | 129.7° | 119.7° |
| C15 | C16 | C17 | H26 | 115.4° | 120.1° |
| C15 | C16 | O18 | H26 | 117.5° | 119.9° |
| C15 | C16 | O18 | C19 | 36.5° | 62.6° |
| C16 | C15 | H1 | H2 | 115.6° | 120.5° |
| C15 | C16 | C17 | H3 | 180.0° | 60.0° |
| C15 | C16 | C17 | H4 | 60.0° | 180.0° |
| C15 | C16 | C17 | H5 | 60.0° | 60.1° |
| C21 | C19 | O18 | C16 | 7.0° | 62.6° |
| C21 | C19 | O18 | C20 | 126.6° | 119.9° |
| C21 | C19 | O18 | H27 | 119.0° | 119.9° |
| C21 | C19 | C20 | H27 | 114.8° | 120.1° |
| C21 | C19 | C20 | H6 | 180.0° | 60.0° |
| C21 | C19 | C20 | H7 | 60.0° | 179.9° |
| C21 | C19 | C20 | H8 | 60.0° | 60.1° |
| C19 | C21 | H9 | H10 | 116.6° | 120.5° |
| C17 | C16 | O18 | H26 | 114.0° | 120.2° |
| C17 | C16 | O18 | C19 | 92.0° | 57.3° |
| C17 | C16 | C15 | H1 | 24.5° | 172.7° |
| C17 | C16 | C15 | H2 | 141.8° | 52.1° |
| C16 | C17 | H3 | H4 | 120.0° | 120.0° |
| C16 | C17 | H3 | H5 | 120.0° | 120.1° |
| C16 | C17 | H4 | H5 | 120.0° | 120.0° |
| C16 | O18 | C19 | C20 | 133.6° | 177.5° |
| O18 | C16 | C15 | H1 | 150.9° | 67.4° |
| O18 | C16 | C15 | H2 | 91.8° | 172.0° |
| O18 | C16 | C17 | H3 | 50.3° | 179.8° |
| O18 | C16 | C17 | H4 | 69.7° | 60.3° |
| O18 | C16 | C17 | H5 | 170.3° | 59.7° |
| C16 | O18 | C19 | H27 | 112.0° | 57.3° |
| O18 | C19 | C20 | H27 | 115.2° | 120.1° |
| O18 | C19 | C20 | H6 | 50.0° | 179.8° |
| O18 | C19 | C20 | H7 | 69.9° | 60.3° |
| O18 | C19 | C20 | H8 | 170.0° | 59.7° |
| O18 | C19 | C21 | H9 | 153.7° | 172.0° |
| O18 | C19 | C21 | H10 | 88.4° | 67.5° |
| C19 | O18 | C16 | H26 | 154.0° | 177.5° |
| C19 | C20 | H6 | H7 | 120.0° | 120.0° |
| C19 | C20 | H6 | H8 | 120.0° | 120.0° |
| C19 | C20 | H7 | H8 | 120.0° | 120.0° |
| C20 | C19 | C21 | H9 | 28.3° | 68.0° |
| C20 | C19 | C21 | H10 | 146.2° | 52.5° |
| H1 | C15 | C16 | H26 | 90.8° | 52.6° |
| H2 | C15 | C16 | H26 | 26.5° | 68.0° |
| H3 | C17 | H4 | H5 | 120.0° | 120.0° |
| H3 | C17 | C16 | H26 | 64.6° | 60.0° |
| H4 | C17 | C16 | H26 | 175.4° | 60.0° |
| H5 | C17 | C16 | H26 | 55.4° | 179.9° |
| H6 | C20 | H7 | H8 | 120.0° | 120.0° |
| H6 | C20 | C19 | H27 | 65.2° | 60.1° |
| H7 | C20 | C19 | H27 | 174.8° | 59.8° |
| H8 | C20 | C19 | H27 | 54.8° | 179.8° |
| H9 | C21 | C19 | H27 | 86.5° | 52.1° |
| H10 | C21 | C19 | H27 | 31.3° | 172.6° |
| H12 | C26 | C25 | H28 | 39.1° | 38.2° |
| H12 | C26 | C27 | H29 | 16.4° | 23.0° |
| H12 | C26 | C27 | H30 | 137.0° | 98.4° |
| H13 | C26 | C25 | H28 | 83.0° | 160.9° |
| H13 | C26 | C27 | H29 | 105.7° | 145.5° |
| H13 | C26 | C27 | H30 | 14.9° | 24.1° |
| H14 | C28 | C27 | H29 | 128.4° | 0.0° |
| H14 | C28 | C27 | H30 | 7.8° | 121.4° |
| H14 | C28 | C29 | H31 | 31.6° | 23.0° |
| H14 | C28 | C29 | H32 | 153.5° | 145.7° |
| H15 | C28 | C27 | H29 | 7.5° | 121.4° |
| H15 | C28 | C27 | H30 | 113.2° | 0.0° |
| H15 | C28 | C29 | H31 | 89.3° | 98.3° |
| H15 | C28 | C29 | H32 | 32.6° | 24.3° |
| H16 | C01 | H17 | H18 | 120.0° | 120.0° |
| H19 | C04 | C05 | H20 | 0.7° | 0.3° |
| H21 | C08 | H22 | H23 | 120.0° | 120.1° |
| H28 | C25 | C29 | H31 | 81.1° | 38.3° |
| H28 | C25 | C29 | H32 | 40.8° | 160.9° |
