A1D6C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.41Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.37Å | Aromatic |
| C22 | C21 | doub | 1.35Å | 1.39Å | Aromatic |
| O08 | C07 | doub | 1.22Å | 1.18Å | |
| C31 | C26 | doub | 1.40Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C26 | sing | 1.48Å | 1.51Å | |
| C24 | O25 | sing | 1.35Å | 1.31Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.52Å | |
| C07 | C02 | sing | 1.41Å | 1.53Å | |
| C21 | O25 | sing | 1.34Å | 1.30Å | Aromatic |
| C21 | C01 | sing | 1.51Å | 1.51Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.40Å | 1.38Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C05 | sing | 1.53Å | 1.55Å | |
| O15 | C14 | doub | 1.22Å | 1.18Å | |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C01 | C13 | sing | 1.51Å | 1.52Å | |
| C02 | C03 | doub | 1.35Å | 1.51Å | |
| C05 | C09 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | doub | 1.38Å | 1.35Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.53Å | |
| C14 | C16 | sing | 1.51Å | 1.53Å | |
| C13 | C12 | doub | 1.35Å | 1.52Å | |
| C03 | C04 | sing | 1.51Å | 1.53Å | |
| C03 | O11 | sing | 1.34Å | 1.44Å | |
| C28 | CL32 | sing | 1.74Å | 1.78Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C12 | O11 | sing | 1.34Å | 1.42Å | |
| C12 | C18 | sing | 1.51Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C20 | sing | 1.53Å | 1.54Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 107.9° | 106.8° |
| C23 | C22 | C21 | 104.9° | 107.0° |
| C23 | C22 | H221 | 127.6° | 126.5° |
| C22 | C23 | H231 | 126.1° | 126.6° |
| C23 | C24 | C26 | 133.9° | 125.9° |
| C23 | C24 | O25 | 106.4° | 108.1° |
| C24 | C23 | H231 | 126.1° | 126.6° |
| C22 | C21 | O25 | 107.5° | 108.7° |
| C22 | C21 | C01 | 143.0° | 125.7° |
| C21 | C22 | H221 | 127.6° | 126.4° |
| O08 | C07 | C06 | 120.9° | 119.4° |
| O08 | C07 | C02 | 125.1° | 119.5° |
| C26 | C31 | C30 | 118.8° | 119.9° |
| C31 | C26 | C24 | 125.0° | 120.2° |
| C31 | C26 | C27 | 120.4° | 119.7° |
| C26 | C31 | H311 | 120.6° | 120.0° |
| C31 | C30 | C29 | 120.3° | 120.2° |
| C31 | C30 | H301 | 119.9° | 119.9° |
| C30 | C31 | H311 | 120.6° | 120.1° |
| C26 | C24 | O25 | 119.7° | 126.0° |
| C24 | C26 | C27 | 114.6° | 120.1° |
| C24 | O25 | C21 | 113.4° | 109.4° |
| C06 | C07 | C02 | 114.1° | 121.1° |
| C07 | C06 | C05 | 111.8° | 108.9° |
| C07 | C06 | H062 | 108.9° | 109.5° |
| C07 | C06 | H061 | 108.9° | 109.7° |
| C07 | C02 | C01 | 130.0° | 118.5° |
| C07 | C02 | C03 | 115.3° | 121.4° |
| O25 | C21 | C01 | 109.4° | 125.7° |
| C21 | C01 | C02 | 112.3° | 109.3° |
| C21 | C01 | C13 | 136.1° | 109.4° |
| C21 | C01 | H011 | 90.2° | 109.4° |
| C06 | C05 | C10 | 107.4° | 109.7° |
| C06 | C05 | C09 | 106.2° | 109.8° |
| C06 | C05 | C04 | 115.0° | 108.5° |
| C05 | C06 | H062 | 108.9° | 109.6° |
| C05 | C06 | H061 | 108.9° | 109.6° |
| C26 | C27 | C28 | 121.1° | 119.8° |
| C26 | C27 | H271 | 119.4° | 120.1° |
| C30 | C29 | C28 | 119.2° | 120.2° |
| C30 | C29 | H291 | 120.4° | 119.8° |
| C29 | C30 | H301 | 119.8° | 119.9° |
| C10 | C05 | C09 | 111.8° | 109.6° |
| C10 | C05 | C04 | 106.2° | 109.6° |
| C05 | C10 | H103 | 109.5° | 109.4° |
| C05 | C10 | H101 | 109.5° | 109.5° |
| C05 | C10 | H102 | 109.5° | 109.5° |
| O15 | C14 | C13 | 120.0° | 119.5° |
| O15 | C14 | C16 | 121.1° | 119.4° |
| C02 | C01 | C13 | 111.7° | 110.1° |
| C01 | C02 | C03 | 107.8° | 120.1° |
| C02 | C01 | H011 | 90.2° | 109.2° |
| C01 | C13 | C14 | 125.6° | 118.5° |
| C01 | C13 | C12 | 112.9° | 120.1° |
| C13 | C01 | H011 | 90.2° | 109.4° |
| C02 | C03 | C04 | 115.0° | 120.7° |
| C02 | C03 | O11 | 121.5° | 120.8° |
| C09 | C05 | C04 | 110.3° | 109.6° |
| C05 | C09 | H091 | 109.5° | 109.4° |
| C05 | C09 | H092 | 109.5° | 109.5° |
| C05 | C09 | H093 | 109.5° | 109.5° |
| C05 | C04 | C03 | 112.7° | 109.7° |
| C05 | C04 | H042 | 108.6° | 109.5° |
| C05 | C04 | H041 | 108.7° | 109.5° |
| C27 | C28 | C29 | 120.1° | 120.1° |
| C27 | C28 | CL32 | 111.5° | 119.9° |
| C28 | C27 | H271 | 119.5° | 120.0° |
| C29 | C28 | CL32 | 128.4° | 119.9° |
| C28 | C29 | H291 | 120.4° | 119.9° |
| C13 | C14 | C16 | 118.9° | 121.1° |
| C14 | C13 | C12 | 118.9° | 121.4° |
| C14 | C16 | C17 | 117.9° | 108.9° |
| C14 | C16 | H161 | 107.3° | 109.5° |
| C14 | C16 | H162 | 107.3° | 109.6° |
| C13 | C12 | O11 | 120.9° | 120.9° |
| C13 | C12 | C18 | 121.1° | 120.7° |
| C04 | C03 | O11 | 114.2° | 118.5° |
| C03 | C04 | H042 | 108.7° | 109.4° |
| C03 | C04 | H041 | 108.6° | 109.4° |
| C03 | O11 | C12 | 115.3° | 120.1° |
| C16 | C17 | C18 | 115.4° | 108.5° |
| C16 | C17 | C20 | 107.6° | 109.6° |
| C16 | C17 | C19 | 107.3° | 109.9° |
| C17 | C16 | H161 | 107.3° | 109.6° |
| C17 | C16 | H162 | 107.3° | 109.6° |
| O11 | C12 | C18 | 114.6° | 118.4° |
| C12 | C18 | C17 | 113.8° | 109.6° |
| C12 | C18 | H182 | 108.3° | 109.5° |
| C12 | C18 | H181 | 108.4° | 109.4° |
| C18 | C17 | C20 | 108.9° | 109.6° |
| C18 | C17 | C19 | 108.8° | 109.6° |
| C17 | C18 | H182 | 108.4° | 109.5° |
| C17 | C18 | H181 | 108.4° | 109.4° |
| C20 | C17 | C19 | 108.6° | 109.6° |
| C17 | C20 | H201 | 109.5° | 109.5° |
| C17 | C20 | H202 | 109.5° | 109.5° |
| C17 | C20 | H203 | 109.5° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.5° |
| C17 | C19 | H192 | 109.5° | 109.4° |
| C17 | C19 | H193 | 109.5° | 109.4° |
| H103 | C10 | H101 | 109.4° | 109.5° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.4° |
| H042 | C04 | H041 | 109.5° | 109.4° |
| H062 | C06 | H061 | 109.4° | 109.6° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H091 | C09 | H093 | 109.5° | 109.5° |
| H092 | C09 | H093 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.7° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C23 | C22 | C21 | H221 | 180.0° | 179.9° |
| C22 | C23 | C24 | C26 | 179.3° | 180.0° |
| C22 | C23 | C24 | O25 | 0.9° | 0.1° |
| C23 | C22 | C21 | O25 | 1.0° | 0.0° |
| C23 | C22 | C21 | C01 | 177.1° | 179.7° |
| C24 | C23 | C22 | C21 | 0.0° | 0.0° |
| C23 | C24 | C26 | C31 | 10.7° | 0.2° |
| C23 | C24 | C26 | O25 | 179.8° | 179.9° |
| C23 | C24 | O25 | C21 | 1.7° | 0.1° |
| C23 | C24 | C26 | C27 | 169.2° | 180.0° |
| C24 | C23 | C22 | H221 | 180.0° | 180.0° |
| C22 | C21 | O25 | C24 | 1.7° | 0.0° |
| C22 | C21 | O25 | C01 | 177.5° | 179.7° |
| C22 | C21 | C01 | C02 | 61.2° | 119.7° |
| C22 | C21 | C01 | C13 | 119.6° | 119.6° |
| C22 | C21 | C01 | H011 | 29.1° | 0.2° |
| C21 | C22 | C23 | H231 | 179.9° | 180.0° |
| O08 | C07 | C06 | C02 | 179.6° | 179.9° |
| O08 | C07 | C06 | C05 | 132.6° | 151.9° |
| O08 | C07 | C02 | C01 | 32.2° | 0.7° |
| O08 | C07 | C02 | C03 | 179.1° | 179.3° |
| O08 | C07 | C06 | H062 | 107.0° | 32.1° |
| O08 | C07 | C06 | H061 | 12.3° | 88.2° |
| C26 | C31 | C30 | H311 | 180.0° | 180.0° |
| C31 | C26 | C24 | C27 | 179.9° | 179.7° |
| C31 | C26 | C24 | O25 | 169.1° | 179.7° |
| C26 | C31 | C30 | C29 | 0.0° | 0.0° |
| C31 | C26 | C27 | C28 | 0.1° | 0.3° |
| C31 | C26 | C27 | H271 | 179.9° | 179.8° |
| C26 | C31 | C30 | H301 | 180.0° | 179.7° |
| C30 | C31 | C26 | C24 | 180.0° | 180.0° |
| C30 | C31 | C26 | C27 | 0.0° | 0.3° |
| C31 | C30 | C29 | H301 | 180.0° | 179.6° |
| C31 | C30 | C29 | C28 | 0.0° | 0.3° |
| C31 | C30 | C29 | H291 | 180.0° | 180.0° |
| C26 | C24 | O25 | C21 | 178.5° | 180.0° |
| C24 | C26 | C27 | C28 | 180.0° | 180.0° |
| C26 | C24 | C23 | H231 | 0.7° | 0.1° |
| C24 | C26 | C27 | H271 | 0.0° | 0.1° |
| C24 | C26 | C31 | H311 | 0.0° | 0.0° |
| C24 | O25 | C21 | C01 | 179.2° | 179.8° |
| O25 | C24 | C26 | C27 | 11.0° | 0.1° |
| O25 | C24 | C23 | H231 | 179.1° | 180.0° |
| C07 | C06 | C05 | H062 | 120.4° | 119.8° |
| C07 | C06 | C05 | H061 | 120.4° | 120.0° |
| C07 | C06 | C05 | C10 | 68.7° | 63.2° |
| C06 | C07 | C02 | C01 | 148.2° | 179.3° |
| C06 | C07 | C02 | C03 | 1.3° | 0.6° |
| C07 | C06 | C05 | C09 | 171.5° | 176.4° |
| C07 | C06 | C05 | C04 | 49.3° | 56.6° |
| C07 | C06 | H062 | H061 | 118.9° | 120.3° |
| C07 | C02 | C01 | C21 | 28.7° | 79.6° |
| C02 | C07 | C06 | C05 | 47.7° | 28.1° |
| C07 | C02 | C01 | C03 | 148.8° | 179.9° |
| C07 | C02 | C01 | C13 | 151.8° | 160.1° |
| C07 | C02 | C03 | C04 | 45.8° | 0.9° |
| C07 | C02 | C03 | O11 | 169.6° | 178.9° |
| C07 | C02 | C01 | H011 | 61.6° | 40.0° |
| C02 | C07 | C06 | H062 | 72.6° | 148.0° |
| C02 | C07 | C06 | H061 | 168.1° | 91.8° |
| O25 | C21 | C01 | C02 | 114.8° | 60.0° |
| O25 | C21 | C01 | C13 | 64.4° | 60.7° |
| O25 | C21 | C22 | H221 | 179.0° | 180.0° |
| O25 | C21 | C01 | H011 | 154.9° | 179.5° |
| C21 | C01 | C02 | C13 | 179.4° | 120.2° |
| C21 | C01 | C02 | H011 | 90.3° | 119.6° |
| C21 | C01 | C13 | H011 | 90.5° | 119.8° |
| C21 | C01 | C02 | C03 | 120.0° | 100.3° |
| C21 | C01 | C13 | C14 | 22.1° | 80.6° |
| C21 | C01 | C13 | C12 | 139.3° | 99.7° |
| C01 | C21 | C22 | H221 | 2.9° | 0.2° |
| C06 | C05 | C10 | C09 | 116.2° | 120.6° |
| C06 | C05 | C10 | C04 | 123.5° | 119.1° |
| C06 | C05 | C09 | C04 | 125.2° | 119.1° |
| C06 | C05 | C04 | C03 | 3.9° | 58.5° |
| C06 | C05 | C10 | H103 | 180.0° | 60.6° |
| C06 | C05 | C10 | H101 | 60.0° | 59.4° |
| C06 | C05 | C10 | H102 | 60.0° | 179.4° |
| C06 | C05 | C04 | H042 | 116.6° | 178.5° |
| C06 | C05 | C04 | H041 | 124.3° | 61.6° |
| C05 | C06 | H062 | H061 | 118.9° | 120.3° |
| C06 | C05 | C09 | H091 | 180.0° | 179.5° |
| C06 | C05 | C09 | H092 | 60.0° | 59.5° |
| C06 | C05 | C09 | H093 | 60.0° | 60.5° |
| C26 | C27 | C28 | H271 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | CL32 | 179.9° | 180.0° |
| C27 | C26 | C31 | H311 | 180.0° | 179.7° |
| C30 | C29 | C28 | C27 | 0.0° | 0.3° |
| C30 | C29 | C28 | H291 | 180.0° | 179.7° |
| C30 | C29 | C28 | CL32 | 179.9° | 179.7° |
| C29 | C30 | C31 | H311 | 180.0° | 180.0° |
| C10 | C05 | C09 | C04 | 117.9° | 120.4° |
| C10 | C05 | C04 | C03 | 114.8° | 61.3° |
| C05 | C10 | H103 | H101 | 120.0° | 120.0° |
| C05 | C10 | H103 | H102 | 120.0° | 120.0° |
| C05 | C10 | H101 | H102 | 120.0° | 120.0° |
| C10 | C05 | C04 | H042 | 124.8° | 58.8° |
| C10 | C05 | C04 | H041 | 5.7° | 178.7° |
| C10 | C05 | C06 | H062 | 171.0° | 56.6° |
| C10 | C05 | C06 | H061 | 51.7° | 176.9° |
| C10 | C05 | C09 | H091 | 63.1° | 60.0° |
| C10 | C05 | C09 | H092 | 176.9° | 180.0° |
| C10 | C05 | C09 | H093 | 56.9° | 60.0° |
| O15 | C14 | C13 | C01 | 24.8° | 1.3° |
| O15 | C14 | C13 | C16 | 179.9° | 180.0° |
| O15 | C14 | C13 | C12 | 174.9° | 179.0° |
| O15 | C14 | C16 | C17 | 166.9° | 152.1° |
| O15 | C14 | C16 | H161 | 45.7° | 32.4° |
| O15 | C14 | C16 | H162 | 71.9° | 88.0° |
| C02 | C01 | C13 | H011 | 90.3° | 120.0° |
| C02 | C01 | C13 | C14 | 158.7° | 159.2° |
| C02 | C01 | C13 | C12 | 40.0° | 20.5° |
| C01 | C02 | C03 | C04 | 108.1° | 179.2° |
| C01 | C02 | C03 | O11 | 36.5° | 1.0° |
| C13 | C01 | C02 | C03 | 59.4° | 19.9° |
| C01 | C13 | C14 | C12 | 160.3° | 179.7° |
| C01 | C13 | C14 | C16 | 155.3° | 178.8° |
| C01 | C13 | C12 | O11 | 6.3° | 0.2° |
| C01 | C13 | C12 | C18 | 164.4° | 179.6° |
| C02 | C03 | C04 | C05 | 43.6° | 31.1° |
| C02 | C03 | C04 | O11 | 147.2° | 179.8° |
| C02 | C03 | O11 | C12 | 7.7° | 24.5° |
| C03 | C02 | C01 | H011 | 149.7° | 140.1° |
| C02 | C03 | C04 | H042 | 164.0° | 151.1° |
| C02 | C03 | C04 | H041 | 76.9° | 89.0° |
| C09 | C05 | C04 | C03 | 123.9° | 178.4° |
| C09 | C05 | C10 | H103 | 63.8° | 60.0° |
| C09 | C05 | C10 | H101 | 56.1° | 180.0° |
| C09 | C05 | C10 | H102 | 176.2° | 60.0° |
| C09 | C05 | C04 | H042 | 3.5° | 61.6° |
| C09 | C05 | C04 | H041 | 115.6° | 58.3° |
| C09 | C05 | C06 | H062 | 51.2° | 63.9° |
| C09 | C05 | C06 | H061 | 68.1° | 56.4° |
| C05 | C09 | H091 | H092 | 120.0° | 120.0° |
| C05 | C09 | H091 | H093 | 120.0° | 120.0° |
| C05 | C09 | H092 | H093 | 120.0° | 120.0° |
| C05 | C04 | C03 | H042 | 120.5° | 120.1° |
| C05 | C04 | C03 | H041 | 120.5° | 120.1° |
| C05 | C04 | C03 | O11 | 169.2° | 148.7° |
| C04 | C05 | C10 | H103 | 56.5° | 179.6° |
| C04 | C05 | C10 | H101 | 176.5° | 59.7° |
| C04 | C05 | C10 | H102 | 63.5° | 60.4° |
| C05 | C04 | H042 | H041 | 118.5° | 119.9° |
| C04 | C05 | C06 | H062 | 71.1° | 176.3° |
| C04 | C05 | C06 | H061 | 169.7° | 63.4° |
| C04 | C05 | C09 | H091 | 54.8° | 60.4° |
| C04 | C05 | C09 | H092 | 65.2° | 59.6° |
| C04 | C05 | C09 | H093 | 174.8° | 179.6° |
| C27 | C28 | C29 | CL32 | 179.9° | 180.0° |
| C27 | C28 | C29 | H291 | 180.0° | 180.0° |
| C29 | C28 | C27 | H271 | 179.9° | 180.0° |
| C28 | C29 | C30 | H301 | 180.0° | 180.0° |
| C13 | C14 | C16 | C17 | 13.3° | 27.9° |
| C14 | C13 | C12 | O11 | 156.5° | 179.5° |
| C14 | C13 | C12 | C18 | 1.7° | 0.7° |
| C14 | C13 | C01 | H011 | 68.4° | 39.1° |
| C13 | C14 | C16 | H161 | 134.5° | 147.7° |
| C13 | C14 | C16 | H162 | 108.0° | 92.0° |
| C16 | C14 | C13 | C12 | 5.0° | 0.9° |
| C14 | C16 | C17 | H161 | 121.2° | 119.7° |
| C14 | C16 | C17 | H162 | 121.2° | 119.9° |
| C14 | C16 | C17 | C18 | 38.2° | 56.6° |
| C14 | C16 | C17 | C20 | 83.7° | 176.2° |
| C14 | C16 | C17 | C19 | 159.6° | 63.3° |
| C14 | C16 | H161 | H162 | 116.2° | 120.3° |
| C13 | C12 | O11 | C03 | 30.6° | 23.9° |
| C13 | C12 | O11 | C18 | 159.5° | 179.8° |
| C13 | C12 | C18 | C17 | 25.8° | 31.2° |
| C12 | C13 | C01 | H011 | 130.2° | 140.6° |
| C13 | C12 | C18 | H182 | 94.8° | 88.9° |
| C13 | C12 | C18 | H181 | 146.5° | 151.2° |
| C04 | C03 | O11 | C12 | 152.5° | 155.7° |
| C03 | C04 | H042 | H041 | 118.5° | 119.9° |
| C03 | O11 | C12 | C18 | 169.9° | 156.3° |
| O11 | C03 | C04 | H042 | 48.8° | 28.7° |
| O11 | C03 | C04 | H041 | 70.3° | 91.2° |
| CL32 | C28 | C27 | H271 | 0.1° | 0.1° |
| CL32 | C28 | C29 | H291 | 0.1° | 0.0° |
| C16 | C17 | C18 | C12 | 43.4° | 58.7° |
| C16 | C17 | C18 | C20 | 121.2° | 119.6° |
| C16 | C17 | C18 | C19 | 120.6° | 120.0° |
| C16 | C17 | C20 | C19 | 115.8° | 120.6° |
| C16 | C17 | C20 | H201 | 180.0° | 59.0° |
| C16 | C17 | C20 | H202 | 60.0° | 61.0° |
| C16 | C17 | C20 | H203 | 60.0° | 179.0° |
| C17 | C16 | H161 | H162 | 116.2° | 120.4° |
| C16 | C17 | C18 | H182 | 77.2° | 61.4° |
| C16 | C17 | C18 | H181 | 164.1° | 178.6° |
| C16 | C17 | C19 | H191 | 180.0° | 179.2° |
| C16 | C17 | C19 | H192 | 60.0° | 60.8° |
| C16 | C17 | C19 | H193 | 60.0° | 59.1° |
| O11 | C12 | C18 | C17 | 133.6° | 149.0° |
| O11 | C12 | C18 | H182 | 105.8° | 90.9° |
| O11 | C12 | C18 | H181 | 12.9° | 29.0° |
| C12 | C18 | C17 | H182 | 120.6° | 120.1° |
| C12 | C18 | C17 | H181 | 120.6° | 120.0° |
| C12 | C18 | C17 | C20 | 77.8° | 178.3° |
| C12 | C18 | C17 | C19 | 164.0° | 61.3° |
| C12 | C18 | H182 | H181 | 118.0° | 119.9° |
| C18 | C17 | C20 | C19 | 118.3° | 120.4° |
| C18 | C17 | C20 | H201 | 54.2° | 60.0° |
| C18 | C17 | C20 | H202 | 65.9° | 180.0° |
| C18 | C17 | C20 | H203 | 174.2° | 60.0° |
| C18 | C17 | C16 | H161 | 159.4° | 176.3° |
| C18 | C17 | C16 | H162 | 83.1° | 63.3° |
| C17 | C18 | H182 | H181 | 118.0° | 120.0° |
| C18 | C17 | C19 | H191 | 54.5° | 60.0° |
| C18 | C17 | C19 | H192 | 174.5° | 180.0° |
| C18 | C17 | C19 | H193 | 65.5° | 60.0° |
| C17 | C20 | H201 | H202 | 120.0° | 120.0° |
| C17 | C20 | H201 | H203 | 120.0° | 120.1° |
| C17 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | C17 | C16 | H161 | 37.5° | 64.1° |
| C20 | C17 | C16 | H162 | 155.0° | 56.4° |
| C20 | C17 | C18 | H182 | 161.6° | 58.2° |
| C20 | C17 | C18 | H181 | 42.9° | 61.7° |
| C20 | C17 | C19 | H191 | 63.9° | 60.4° |
| C20 | C17 | C19 | H192 | 56.1° | 59.6° |
| C20 | C17 | C19 | H193 | 176.1° | 179.6° |
| C19 | C17 | C20 | H201 | 64.2° | 179.6° |
| C19 | C17 | C20 | H202 | 175.8° | 59.6° |
| C19 | C17 | C20 | H203 | 55.8° | 60.4° |
| C19 | C17 | C16 | H161 | 79.2° | 56.4° |
| C19 | C17 | C16 | H162 | 38.4° | 176.9° |
| C19 | C17 | C18 | H182 | 43.4° | 178.6° |
| C19 | C17 | C18 | H181 | 75.3° | 58.7° |
| C17 | C19 | H191 | H192 | 120.0° | 120.0° |
| C17 | C19 | H191 | H193 | 120.0° | 120.0° |
| C17 | C19 | H192 | H193 | 120.0° | 119.9° |
| H103 | C10 | H101 | H102 | 120.0° | 120.0° |
| H201 | C20 | H202 | H203 | 120.0° | 119.9° |
| H221 | C22 | C23 | H231 | 0.0° | 0.1° |
| H091 | C09 | H092 | H093 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.1° |
| H291 | C29 | C30 | H301 | 0.0° | 0.4° |
| H301 | C30 | C31 | H311 | 0.0° | 0.3° |
