861
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| O6 | S | doub | 1.42Å | 1.39Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C17 | N | sing | 1.47Å | 1.47Å | |
| N | S | sing | 1.66Å | 1.57Å | |
| N | C13 | sing | 1.47Å | 1.50Å | |
| S | O5 | doub | 1.42Å | 1.44Å | |
| S | C18 | sing | 1.81Å | 1.71Å | |
| C13 | C12 | sing | 1.51Å | 1.48Å | |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | O4 | doub | 1.21Å | 1.23Å | |
| C12 | O3 | sing | 1.34Å | 1.43Å | |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| O3 | C11 | sing | 1.45Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.49Å | |
| C10 | C9 | sing | 1.53Å | 1.56Å | |
| C9 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.39Å | |
| C1 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C | O | sing | 1.43Å | 1.42Å | |
| C7 | O1 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | O2 | sing | 1.36Å | 1.37Å | |
| C6 | O1 | sing | 1.36Å | 1.36Å | |
| O2 | C8 | sing | 1.43Å | 1.44Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C23 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.08Å | 1.08Å | |
| C4 | H24 | sing | 1.08Å | 1.08Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C7 | H28 | sing | 1.09Å | 1.10Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| C7 | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C | H32 | sing | 1.09Å | 1.10Å | |
| C | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 111.8° | 109.3° |
| C16 | C15 | C14 | 108.1° | 109.5° |
| C15 | C16 | H10 | 108.9° | 109.5° |
| C15 | C16 | H11 | 108.9° | 109.5° |
| C16 | C15 | H12 | 109.8° | 109.4° |
| C16 | C15 | H13 | 109.8° | 109.5° |
| C16 | C17 | N | 109.8° | 108.7° |
| C16 | C17 | H8 | 109.4° | 109.5° |
| C16 | C17 | H9 | 109.4° | 109.7° |
| C17 | C16 | H10 | 108.9° | 109.5° |
| C17 | C16 | H11 | 108.9° | 109.5° |
| O6 | S | N | 108.8° | 104.3° |
| O6 | S | O5 | 113.3° | 121.1° |
| O6 | S | C18 | 111.6° | 110.5° |
| C15 | C14 | C13 | 111.1° | 109.4° |
| C14 | C15 | H12 | 109.8° | 109.5° |
| C14 | C15 | H13 | 109.8° | 109.5° |
| C15 | C14 | H14 | 109.1° | 109.5° |
| C15 | C14 | H15 | 109.1° | 109.5° |
| C14 | C13 | N | 109.1° | 109.0° |
| C14 | C13 | C12 | 110.2° | 109.5° |
| C13 | C14 | H14 | 109.0° | 109.6° |
| C13 | C14 | H15 | 109.1° | 109.4° |
| C14 | C13 | H16 | 107.2° | 109.4° |
| C17 | N | S | 121.3° | 120.6° |
| C17 | N | C13 | 120.4° | 118.8° |
| N | C17 | H8 | 109.4° | 109.6° |
| N | C17 | H9 | 109.4° | 109.6° |
| S | N | C13 | 118.3° | 120.6° |
| N | S | O5 | 107.7° | 104.3° |
| N | S | C18 | 107.9° | 104.4° |
| N | C13 | C12 | 114.3° | 109.6° |
| N | C13 | H16 | 107.8° | 109.6° |
| O5 | S | C18 | 107.4° | 110.5° |
| S | C18 | C19 | 113.4° | 109.5° |
| S | C18 | H1 | 108.5° | 109.5° |
| S | C18 | H2 | 108.5° | 109.5° |
| C13 | C12 | O4 | 121.5° | 120.0° |
| C13 | C12 | O3 | 118.6° | 120.0° |
| C12 | C13 | H16 | 108.1° | 109.7° |
| C23 | C24 | C19 | 119.2° | 120.0° |
| C24 | C23 | C22 | 121.1° | 120.0° |
| C23 | C24 | H3 | 120.4° | 119.9° |
| C24 | C23 | H4 | 119.5° | 120.1° |
| C24 | C19 | C18 | 121.3° | 120.0° |
| C24 | C19 | C20 | 119.3° | 120.0° |
| C19 | C24 | H3 | 120.4° | 120.0° |
| O4 | C12 | O3 | 119.8° | 120.0° |
| C12 | O3 | C11 | 118.9° | 117.0° |
| C23 | C22 | C21 | 120.2° | 120.0° |
| C22 | C23 | H4 | 119.4° | 120.0° |
| C23 | C22 | H5 | 119.9° | 120.1° |
| C18 | C19 | C20 | 119.5° | 120.0° |
| C19 | C18 | H1 | 108.5° | 109.5° |
| C19 | C18 | H2 | 108.5° | 109.4° |
| C19 | C20 | C21 | 121.8° | 120.0° |
| C19 | C20 | H7 | 119.1° | 120.0° |
| C22 | C21 | C20 | 118.5° | 119.9° |
| C21 | C22 | H5 | 119.9° | 119.9° |
| C22 | C21 | H6 | 120.7° | 120.1° |
| C20 | C21 | H6 | 120.8° | 120.0° |
| C21 | C20 | H7 | 119.1° | 120.0° |
| O3 | C11 | C10 | 105.3° | 109.5° |
| O3 | C11 | H17 | 110.5° | 109.5° |
| O3 | C11 | H18 | 110.5° | 109.5° |
| C11 | C10 | C9 | 110.0° | 109.5° |
| C10 | C11 | H17 | 110.5° | 109.5° |
| C10 | C11 | H18 | 110.5° | 109.4° |
| C11 | C10 | H19 | 109.3° | 109.5° |
| C11 | C10 | H20 | 109.3° | 109.5° |
| C10 | C9 | C3 | 115.0° | 109.5° |
| C9 | C10 | H19 | 109.3° | 109.4° |
| C9 | C10 | H20 | 109.4° | 109.5° |
| C10 | C9 | H21 | 108.1° | 109.4° |
| C10 | C9 | H22 | 108.1° | 109.5° |
| C9 | C3 | C2 | 119.2° | 119.9° |
| C9 | C3 | C4 | 121.9° | 119.9° |
| C3 | C9 | H21 | 108.1° | 109.5° |
| C3 | C9 | H22 | 108.1° | 109.5° |
| C2 | C3 | C4 | 118.9° | 120.2° |
| C3 | C2 | C1 | 121.9° | 120.0° |
| C3 | C2 | H23 | 119.1° | 120.0° |
| C3 | C4 | C5 | 119.1° | 120.1° |
| C3 | C4 | H24 | 120.4° | 119.9° |
| C2 | C1 | O | 122.4° | 120.0° |
| C2 | C1 | C6 | 118.7° | 120.0° |
| C1 | C2 | H23 | 119.0° | 120.0° |
| C4 | C5 | C6 | 120.8° | 119.9° |
| C4 | C5 | O2 | 119.3° | 120.0° |
| C5 | C4 | H24 | 120.4° | 120.0° |
| O | C1 | C6 | 118.9° | 120.0° |
| C1 | O | C | 125.4° | 117.0° |
| C1 | C6 | C5 | 120.6° | 119.8° |
| C1 | C6 | O1 | 119.7° | 120.1° |
| O | C | H31 | 109.5° | 109.4° |
| O | C | H32 | 109.5° | 109.5° |
| O | C | H33 | 109.5° | 109.5° |
| C7 | O1 | C6 | 119.3° | 117.0° |
| O1 | C7 | H28 | 109.5° | 109.5° |
| O1 | C7 | H29 | 109.5° | 109.5° |
| O1 | C7 | H30 | 109.5° | 109.5° |
| C6 | C5 | O2 | 119.9° | 120.0° |
| C5 | C6 | O1 | 119.6° | 120.1° |
| C5 | O2 | C8 | 120.5° | 117.0° |
| O2 | C8 | H25 | 109.5° | 109.5° |
| O2 | C8 | H26 | 109.5° | 109.5° |
| O2 | C8 | H27 | 109.5° | 109.5° |
| H1 | C18 | H2 | 109.4° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.6° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H19 | C10 | H20 | 109.5° | 109.4° |
| H21 | C9 | H22 | 109.4° | 109.4° |
| H25 | C8 | H26 | 109.5° | 109.5° |
| H25 | C8 | H27 | 109.5° | 109.5° |
| H26 | C8 | H27 | 109.4° | 109.4° |
| H28 | C7 | H29 | 109.5° | 109.4° |
| H28 | C7 | H30 | 109.5° | 109.5° |
| H29 | C7 | H30 | 109.4° | 109.5° |
| H31 | C | H32 | 109.5° | 109.5° |
| H31 | C | H33 | 109.5° | 109.4° |
| H32 | C | H33 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H10 | 120.3° | 120.0° |
| C15 | C16 | C17 | H11 | 120.3° | 119.9° |
| C16 | C15 | C14 | H12 | 119.8° | 120.0° |
| C16 | C15 | C14 | H13 | 119.8° | 120.0° |
| C16 | C15 | C14 | C13 | 62.1° | 61.2° |
| C15 | C16 | C17 | N | 51.8° | 54.6° |
| C15 | C16 | C17 | H8 | 68.3° | 65.1° |
| C15 | C16 | C17 | H9 | 171.8° | 174.5° |
| C15 | C16 | H10 | H11 | 118.9° | 120.1° |
| C16 | C15 | H12 | H13 | 120.7° | 119.9° |
| C16 | C15 | C14 | H14 | 58.1° | 178.7° |
| C16 | C15 | C14 | H15 | 177.6° | 58.6° |
| C17 | C16 | C15 | C14 | 61.8° | 61.4° |
| C16 | C17 | N | H8 | 120.0° | 119.7° |
| C16 | C17 | N | H9 | 120.0° | 120.0° |
| C16 | C17 | N | S | 135.6° | 126.5° |
| C16 | C17 | N | C13 | 45.4° | 53.3° |
| C16 | C17 | H8 | H9 | 119.9° | 120.4° |
| C17 | C16 | H10 | H11 | 119.0° | 120.1° |
| C17 | C16 | C15 | H12 | 178.4° | 58.7° |
| C17 | C16 | C15 | H13 | 58.0° | 178.6° |
| O6 | S | N | C17 | 50.4° | 151.3° |
| O6 | S | N | O5 | 123.1° | 127.9° |
| O6 | S | N | C18 | 121.2° | 116.0° |
| O6 | S | N | C13 | 130.6° | 29.0° |
| O6 | S | O5 | C18 | 123.7° | 131.5° |
| O6 | S | C18 | C19 | 52.7° | 68.4° |
| O6 | S | C18 | H1 | 173.3° | 51.6° |
| O6 | S | C18 | H2 | 67.9° | 171.6° |
| C15 | C14 | C13 | H14 | 120.3° | 120.0° |
| C15 | C14 | C13 | H15 | 120.3° | 119.9° |
| C15 | C14 | C13 | N | 52.4° | 54.4° |
| C15 | C14 | C13 | C12 | 73.8° | 174.3° |
| C14 | C15 | C16 | H10 | 177.8° | 178.7° |
| C14 | C15 | C16 | H11 | 58.6° | 58.6° |
| C14 | C15 | H12 | H13 | 120.6° | 120.0° |
| C15 | C14 | H14 | H15 | 119.3° | 120.1° |
| C15 | C14 | C13 | H16 | 168.9° | 65.5° |
| C14 | C13 | N | C17 | 45.8° | 53.3° |
| C14 | C13 | N | S | 135.2° | 126.5° |
| C14 | C13 | N | C12 | 123.8° | 119.8° |
| C14 | C13 | N | H16 | 116.1° | 119.7° |
| C14 | C13 | C12 | H16 | 116.8° | 120.1° |
| C14 | C13 | C12 | O4 | 60.3° | 66.5° |
| C14 | C13 | C12 | O3 | 118.0° | 113.4° |
| C13 | C14 | C15 | H12 | 178.1° | 58.8° |
| C13 | C14 | C15 | H13 | 57.7° | 178.7° |
| C13 | C14 | H14 | H15 | 119.2° | 120.0° |
| C17 | N | S | C13 | 179.0° | 179.8° |
| C17 | N | S | O5 | 173.6° | 23.3° |
| C17 | N | S | C18 | 70.7° | 92.7° |
| C17 | N | C13 | C12 | 78.0° | 173.1° |
| N | C17 | H8 | H9 | 119.9° | 120.3° |
| N | C17 | C16 | H10 | 172.1° | 174.6° |
| N | C17 | C16 | H11 | 68.6° | 65.3° |
| C17 | N | C13 | H16 | 161.9° | 66.4° |
| N | S | O5 | C18 | 116.0° | 111.7° |
| S | N | C13 | C12 | 101.0° | 6.6° |
| N | S | C18 | C19 | 172.2° | 180.0° |
| N | S | C18 | H1 | 67.2° | 60.0° |
| N | S | C18 | H2 | 51.6° | 60.0° |
| S | N | C17 | H8 | 104.3° | 113.8° |
| S | N | C17 | H9 | 15.6° | 6.5° |
| S | N | C13 | H16 | 19.1° | 113.8° |
| C13 | N | S | O5 | 7.5° | 156.9° |
| C13 | N | S | C18 | 108.2° | 87.1° |
| N | C13 | C12 | H16 | 120.0° | 120.4° |
| N | C13 | C12 | O4 | 176.5° | 53.0° |
| N | C13 | C12 | O3 | 5.1° | 127.0° |
| C13 | N | C17 | H8 | 74.6° | 66.4° |
| C13 | N | C17 | H9 | 165.5° | 173.3° |
| N | C13 | C14 | H14 | 67.9° | 174.4° |
| N | C13 | C14 | H15 | 172.7° | 65.5° |
| O5 | S | C18 | C19 | 71.9° | 68.4° |
| O5 | S | C18 | H1 | 48.7° | 171.6° |
| O5 | S | C18 | H2 | 167.5° | 51.6° |
| S | C18 | C19 | C24 | 94.3° | 89.7° |
| S | C18 | C19 | H1 | 120.6° | 120.0° |
| S | C18 | C19 | H2 | 120.6° | 120.0° |
| S | C18 | C19 | C20 | 84.0° | 90.0° |
| S | C18 | H1 | H2 | 118.2° | 120.0° |
| C13 | C12 | O4 | O3 | 178.3° | 179.9° |
| C13 | C12 | O3 | C11 | 153.6° | 180.0° |
| C12 | C13 | C14 | H14 | 166.0° | 65.7° |
| C12 | C13 | C14 | H15 | 46.5° | 54.4° |
| C23 | C24 | C19 | H3 | 180.0° | 180.0° |
| C24 | C23 | C22 | H4 | 180.0° | 180.0° |
| C23 | C24 | C19 | C18 | 179.5° | 180.0° |
| C23 | C24 | C19 | C20 | 2.2° | 0.3° |
| C24 | C23 | C22 | C21 | 1.6° | 0.0° |
| C24 | C23 | C22 | H5 | 178.4° | 179.9° |
| C19 | C24 | C23 | C22 | 2.2° | 0.0° |
| C24 | C19 | C18 | C20 | 178.3° | 179.7° |
| C24 | C19 | C20 | C21 | 1.7° | 0.5° |
| C24 | C19 | C18 | H1 | 145.1° | 150.3° |
| C24 | C19 | C18 | H2 | 26.3° | 30.3° |
| C19 | C24 | C23 | H4 | 177.8° | 180.0° |
| C24 | C19 | C20 | H7 | 178.3° | 179.7° |
| O4 | C12 | O3 | C11 | 24.8° | 0.0° |
| O4 | C12 | C13 | H16 | 56.5° | 173.4° |
| C12 | O3 | C11 | C10 | 125.7° | 180.0° |
| O3 | C12 | C13 | H16 | 125.1° | 6.7° |
| C12 | O3 | C11 | H17 | 6.4° | 60.0° |
| C12 | O3 | C11 | H18 | 114.9° | 60.0° |
| C23 | C22 | C21 | H5 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 1.0° | 0.2° |
| C22 | C23 | C24 | H3 | 177.8° | 180.0° |
| C23 | C22 | C21 | H6 | 179.0° | 180.0° |
| C18 | C19 | C20 | C21 | 180.0° | 179.8° |
| C19 | C18 | H1 | H2 | 118.2° | 120.0° |
| C18 | C19 | C24 | H3 | 0.5° | 0.0° |
| C18 | C19 | C20 | H7 | 0.1° | 0.0° |
| C19 | C20 | C21 | C22 | 1.1° | 0.5° |
| C19 | C20 | C21 | H7 | 180.0° | 179.8° |
| C20 | C19 | C18 | H1 | 36.6° | 30.0° |
| C20 | C19 | C18 | H2 | 155.4° | 150.0° |
| C20 | C19 | C24 | H3 | 177.8° | 179.8° |
| C19 | C20 | C21 | H6 | 178.9° | 179.7° |
| C22 | C21 | C20 | H6 | 180.0° | 179.8° |
| C21 | C22 | C23 | H4 | 178.4° | 180.0° |
| C22 | C21 | C20 | H7 | 178.9° | 179.8° |
| C20 | C21 | C22 | H5 | 179.0° | 179.8° |
| O3 | C11 | C10 | H17 | 119.4° | 120.1° |
| O3 | C11 | C10 | H18 | 119.3° | 120.0° |
| O3 | C11 | C10 | C9 | 64.7° | 180.0° |
| O3 | C11 | H17 | H18 | 121.9° | 120.0° |
| O3 | C11 | C10 | H19 | 175.2° | 59.9° |
| O3 | C11 | C10 | H20 | 55.4° | 60.0° |
| C11 | C10 | C9 | H19 | 120.1° | 120.1° |
| C11 | C10 | C9 | H20 | 120.1° | 120.1° |
| C11 | C10 | C9 | C3 | 83.3° | 180.0° |
| C10 | C11 | H17 | H18 | 121.9° | 119.9° |
| C11 | C10 | H19 | H20 | 119.8° | 120.0° |
| C11 | C10 | C9 | H21 | 155.9° | 59.9° |
| C11 | C10 | C9 | H22 | 37.5° | 59.9° |
| C10 | C9 | C3 | H21 | 120.8° | 120.0° |
| C10 | C9 | C3 | H22 | 120.8° | 120.0° |
| C10 | C9 | C3 | C2 | 175.3° | 90.0° |
| C10 | C9 | C3 | C4 | 4.3° | 90.3° |
| C9 | C10 | C11 | H17 | 54.7° | 60.0° |
| C9 | C10 | C11 | H18 | 176.0° | 60.0° |
| C9 | C10 | H19 | H20 | 119.8° | 119.9° |
| C10 | C9 | H21 | H22 | 117.5° | 119.9° |
| C9 | C3 | C2 | C4 | 179.6° | 179.8° |
| C9 | C3 | C2 | C1 | 179.8° | 180.0° |
| C9 | C3 | C4 | C5 | 179.5° | 180.0° |
| C3 | C9 | C10 | H19 | 36.8° | 59.9° |
| C3 | C9 | C10 | H20 | 156.6° | 59.9° |
| C3 | C9 | H21 | H22 | 117.5° | 120.0° |
| C9 | C3 | C2 | H23 | 0.2° | 0.0° |
| C9 | C3 | C4 | H24 | 0.6° | 0.0° |
| C3 | C2 | C1 | H23 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.0° | 0.3° |
| C3 | C2 | C1 | O | 179.8° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.0° |
| C2 | C3 | C9 | H21 | 63.9° | 30.0° |
| C2 | C3 | C9 | H22 | 54.4° | 150.0° |
| C2 | C3 | C4 | H24 | 179.0° | 179.7° |
| C4 | C3 | C2 | C1 | 0.6° | 0.3° |
| C3 | C4 | C5 | H24 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.0° |
| C3 | C4 | C5 | O2 | 178.7° | 180.0° |
| C4 | C3 | C9 | H21 | 116.5° | 149.7° |
| C4 | C3 | C9 | H22 | 125.2° | 29.8° |
| C4 | C3 | C2 | H23 | 179.4° | 179.8° |
| C2 | C1 | O | C6 | 179.8° | 179.9° |
| C2 | C1 | O | C | 19.9° | 0.1° |
| C2 | C1 | C6 | C5 | 0.0° | 0.3° |
| C2 | C1 | C6 | O1 | 179.7° | 180.0° |
| C4 | C5 | C6 | C1 | 0.4° | 0.3° |
| C4 | C5 | C6 | O2 | 179.5° | 180.0° |
| C4 | C5 | C6 | O1 | 179.4° | 180.0° |
| C4 | C5 | O2 | C8 | 47.6° | 0.0° |
| O | C1 | C6 | C5 | 179.9° | 179.8° |
| O | C1 | C6 | O1 | 0.4° | 0.0° |
| O | C1 | C2 | H23 | 0.2° | 0.0° |
| C1 | O | C | H31 | 180.0° | 60.0° |
| C1 | O | C | H32 | 60.0° | 59.9° |
| C1 | O | C | H33 | 60.0° | 180.0° |
| C6 | C1 | O | C | 159.9° | 180.0° |
| C1 | C6 | O1 | C7 | 102.4° | 90.3° |
| C1 | C6 | C5 | O1 | 179.7° | 179.7° |
| C1 | C6 | C5 | O2 | 179.2° | 179.7° |
| C6 | C1 | C2 | H23 | 179.9° | 180.0° |
| O | C | H31 | H32 | 120.0° | 120.0° |
| O | C | H31 | H33 | 120.0° | 120.0° |
| O | C | H32 | H33 | 120.0° | 120.0° |
| C7 | O1 | C6 | C5 | 77.3° | 90.0° |
| O1 | C7 | H28 | H29 | 120.0° | 120.0° |
| O1 | C7 | H28 | H30 | 120.0° | 120.0° |
| O1 | C7 | H29 | H30 | 120.0° | 120.0° |
| C6 | C5 | O2 | C8 | 131.9° | 180.0° |
| C6 | C5 | C4 | H24 | 179.1° | 180.0° |
| O2 | C5 | C6 | O1 | 1.1° | 0.0° |
| O2 | C5 | C4 | H24 | 1.3° | 0.0° |
| C5 | O2 | C8 | H25 | 180.0° | 180.0° |
| C5 | O2 | C8 | H26 | 60.0° | 60.0° |
| C5 | O2 | C8 | H27 | 60.0° | 59.9° |
| C6 | O1 | C7 | H28 | 180.0° | 180.0° |
| C6 | O1 | C7 | H29 | 60.0° | 60.1° |
| C6 | O1 | C7 | H30 | 60.0° | 60.0° |
| O2 | C8 | H25 | H26 | 120.0° | 120.0° |
| O2 | C8 | H25 | H27 | 120.0° | 120.1° |
| O2 | C8 | H26 | H27 | 120.0° | 120.0° |
| H3 | C24 | C23 | H4 | 2.2° | 0.0° |
| H4 | C23 | C22 | H5 | 1.6° | 0.1° |
| H5 | C22 | C21 | H6 | 1.0° | 0.0° |
| H6 | C21 | C20 | H7 | 1.1° | 0.0° |
| H8 | C17 | C16 | H10 | 52.1° | 54.8° |
| H8 | C17 | C16 | H11 | 171.4° | 174.9° |
| H9 | C17 | C16 | H10 | 67.8° | 65.6° |
| H9 | C17 | C16 | H11 | 51.5° | 54.5° |
| H10 | C16 | C15 | H12 | 58.0° | 61.3° |
| H10 | C16 | C15 | H13 | 62.4° | 58.7° |
| H11 | C16 | C15 | H12 | 61.2° | 178.6° |
| H11 | C16 | C15 | H13 | 178.3° | 61.4° |
| H12 | C15 | C14 | H14 | 61.7° | 61.3° |
| H12 | C15 | C14 | H15 | 57.8° | 178.6° |
| H13 | C15 | C14 | H14 | 177.9° | 58.6° |
| H13 | C15 | C14 | H15 | 62.6° | 61.4° |
| H14 | C14 | C13 | H16 | 48.6° | 54.6° |
| H15 | C14 | C13 | H16 | 70.9° | 174.7° |
| H17 | C11 | C10 | H19 | 65.4° | 180.0° |
| H17 | C11 | C10 | H20 | 174.7° | 60.1° |
| H18 | C11 | C10 | H19 | 55.9° | 60.0° |
| H18 | C11 | C10 | H20 | 63.9° | 180.0° |
| H19 | C10 | C9 | H21 | 84.1° | NaN° |
| H19 | C10 | C9 | H22 | 157.6° | 60.1° |
| H20 | C10 | C9 | H21 | 35.8° | 60.1° |
| H20 | C10 | C9 | H22 | 82.6° | 180.0° |
| H25 | C8 | H26 | H27 | 120.0° | 120.0° |
| H28 | C7 | H29 | H30 | 120.0° | 120.0° |
| H31 | C | H32 | H33 | 120.0° | 120.0° |
