A1BK9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.50Å | |
| C03 | C02 | doub | 1.36Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.41Å | 1.45Å | Aromatic |
| N05 | C04 | doub | 1.33Å | 1.38Å | Aromatic |
| C06 | N05 | sing | 1.33Å | 1.36Å | Aromatic |
| C07 | C06 | doub | 1.36Å | 1.35Å | Aromatic |
| C09 | C08 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | O12 | sing | 1.43Å | 1.44Å | |
| C14 | C13 | sing | 1.53Å | 1.61Å | |
| C15 | C13 | sing | 1.53Å | 1.59Å | |
| C16 | C13 | sing | 1.53Å | 1.60Å | |
| O12 | C11 | sing | 1.36Å | 1.39Å | |
| C17 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.55Å | |
| N19 | C07 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | N19 | sing | 1.36Å | 1.42Å | Aromatic |
| C21 | C20 | doub | 1.36Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.48Å | 1.56Å | |
| C23 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| C27 | O26 | sing | 1.43Å | 1.43Å | |
| C28 | C27 | sing | 1.53Å | 1.61Å | |
| C29 | C27 | sing | 1.53Å | 1.52Å | |
| O26 | C25 | sing | 1.36Å | 1.43Å | |
| C30 | C25 | sing | 1.39Å | 1.36Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
| C04 | N19 | sing | 1.37Å | 1.34Å | Aromatic |
| C08 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C31 | sing | 1.39Å | 1.35Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| 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) |
| C01 | C02 | C03 | 120.6° | 120.2° |
| C01 | C02 | C21 | 119.7° | 120.2° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C03 | C04 | 119.5° | 119.5° |
| C03 | C02 | C21 | 119.7° | 119.7° |
| C02 | C03 | H031 | 120.2° | 120.3° |
| C03 | C04 | N05 | 132.2° | 132.0° |
| C03 | C04 | N19 | 120.0° | 119.8° |
| C04 | C03 | H031 | 120.2° | 120.3° |
| C04 | N05 | C06 | 107.9° | 109.5° |
| N05 | C04 | N19 | 107.8° | 108.2° |
| N05 | C06 | C07 | 107.8° | 108.5° |
| N05 | C06 | H061 | 126.1° | 125.7° |
| C06 | C07 | C08 | 123.9° | 126.6° |
| C06 | C07 | N19 | 108.4° | 106.8° |
| C07 | C06 | H061 | 126.1° | 125.8° |
| C08 | C09 | C10 | 119.7° | 119.9° |
| C09 | C08 | C07 | 121.8° | 120.1° |
| C09 | C08 | C18 | 120.2° | 119.9° |
| C08 | C09 | H091 | 120.2° | 120.1° |
| C09 | C10 | C11 | 120.3° | 120.1° |
| C09 | C10 | H101 | 119.8° | 120.0° |
| C10 | C09 | H091 | 120.2° | 120.0° |
| C10 | C11 | O12 | 120.9° | 119.9° |
| C10 | C11 | C17 | 119.4° | 120.2° |
| C11 | C10 | H101 | 119.8° | 120.0° |
| O12 | C13 | C14 | 113.4° | 109.5° |
| O12 | C13 | C15 | 107.9° | 109.5° |
| O12 | C13 | C16 | 111.1° | 109.5° |
| C13 | O12 | C11 | 118.9° | 117.0° |
| C14 | C13 | C15 | 108.6° | 109.4° |
| C14 | C13 | C16 | 107.1° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.4° |
| C13 | C14 | H142 | 109.5° | 109.4° |
| C13 | C14 | H141 | 109.5° | 109.4° |
| C15 | C13 | C16 | 108.6° | 109.4° |
| C13 | C15 | H153 | 109.5° | 109.4° |
| C13 | C15 | H151 | 109.5° | 109.5° |
| C13 | C15 | H152 | 109.5° | 109.5° |
| C13 | C16 | H161 | 109.5° | 109.5° |
| C13 | C16 | H163 | 109.4° | 109.5° |
| C13 | C16 | H162 | 109.4° | 109.5° |
| O12 | C11 | C17 | 119.7° | 119.9° |
| C11 | C17 | C18 | 119.9° | 120.1° |
| C11 | C17 | H171 | 120.0° | 119.9° |
| C17 | C18 | C08 | 120.5° | 119.9° |
| C18 | C17 | H171 | 120.0° | 120.0° |
| C17 | C18 | H181 | 119.8° | 120.0° |
| C08 | C07 | N19 | 127.7° | 126.6° |
| C07 | C08 | C18 | 117.8° | 120.1° |
| C07 | N19 | C20 | 131.1° | 132.4° |
| C07 | N19 | C04 | 108.1° | 106.9° |
| N19 | C20 | C21 | 119.5° | 120.4° |
| C20 | N19 | C04 | 120.8° | 120.6° |
| N19 | C20 | H201 | 120.3° | 119.8° |
| C20 | C21 | C22 | 121.5° | 120.0° |
| C20 | C21 | C02 | 120.6° | 120.0° |
| C21 | C20 | H201 | 120.3° | 119.8° |
| C21 | C22 | C23 | 122.4° | 120.1° |
| C22 | C21 | C02 | 117.9° | 120.0° |
| C21 | C22 | C31 | 117.1° | 120.1° |
| C22 | C23 | C24 | 119.6° | 120.0° |
| C23 | C22 | C31 | 120.4° | 119.8° |
| C22 | C23 | H231 | 120.2° | 120.0° |
| C23 | C24 | C25 | 120.1° | 120.0° |
| C23 | C24 | H241 | 120.0° | 120.0° |
| C24 | C23 | H231 | 120.2° | 120.0° |
| C24 | C25 | O26 | 120.7° | 119.9° |
| C24 | C25 | C30 | 119.9° | 120.2° |
| C25 | C24 | H241 | 119.9° | 120.0° |
| O26 | C27 | C28 | 108.1° | 109.5° |
| O26 | C27 | C29 | 106.3° | 109.5° |
| C27 | O26 | C25 | 115.6° | 117.0° |
| O26 | C27 | H271 | 111.7° | 109.4° |
| C28 | C27 | C29 | 110.9° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.4° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| C28 | C27 | H271 | 109.3° | 109.5° |
| C29 | C27 | H271 | 110.4° | 109.5° |
| C27 | C29 | H291 | 109.5° | 109.5° |
| C27 | C29 | H292 | 109.4° | 109.5° |
| C27 | C29 | H293 | 109.4° | 109.4° |
| O26 | C25 | C30 | 119.4° | 120.0° |
| C25 | C30 | C31 | 120.0° | 120.1° |
| C25 | C30 | H301 | 120.0° | 120.0° |
| C30 | C31 | C22 | 120.0° | 120.0° |
| C31 | C30 | H301 | 120.0° | 119.9° |
| C30 | C31 | H311 | 120.0° | 120.0° |
| C08 | C18 | H181 | 119.8° | 120.1° |
| C22 | C31 | H311 | 120.0° | 120.0° |
| H153 | C15 | H151 | 109.4° | 109.5° |
| H153 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H143 | C14 | H142 | 109.4° | 109.5° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H163 | C16 | H162 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.4° |
| H292 | C29 | H293 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C21 | 179.7° | 179.9° |
| C01 | C02 | C03 | C04 | 179.9° | 180.0° |
| C01 | C02 | C21 | C20 | 180.0° | 180.0° |
| C01 | C02 | C21 | C22 | 0.9° | 0.1° |
| C02 | C01 | H011 | H013 | 120.0° | 120.1° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 0.0° | 0.1° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | N05 | 179.9° | 179.9° |
| C03 | C02 | C21 | C20 | 0.3° | 0.1° |
| C03 | C02 | C21 | C22 | 179.4° | 180.0° |
| C02 | C03 | C04 | N19 | 0.1° | 0.0° |
| C03 | C02 | C01 | H011 | 90.1° | 90.0° |
| C03 | C02 | C01 | H013 | 149.9° | 30.1° |
| C03 | C02 | C01 | H012 | 29.8° | 150.1° |
| C03 | C04 | N05 | N19 | 180.0° | 179.9° |
| C03 | C04 | N05 | C06 | 179.9° | 179.9° |
| C03 | C04 | N19 | C07 | 179.5° | 179.8° |
| C03 | C04 | N19 | C20 | 0.0° | 0.1° |
| C04 | C03 | C02 | C21 | 0.2° | 0.1° |
| C04 | N05 | C06 | C07 | 0.7° | 0.2° |
| N05 | C04 | N19 | C07 | 0.5° | 0.3° |
| N05 | C04 | N19 | C20 | 180.0° | 180.0° |
| N05 | C04 | C03 | H031 | 0.1° | 0.0° |
| C04 | N05 | C06 | H061 | 179.4° | 180.0° |
| N05 | C06 | C07 | H061 | 180.0° | 179.7° |
| N05 | C06 | C07 | C08 | 178.1° | 180.0° |
| N05 | C06 | C07 | N19 | 1.0° | 0.4° |
| C06 | N05 | C04 | N19 | 0.1° | 0.0° |
| C06 | C07 | C08 | C09 | 47.5° | 159.0° |
| C06 | C07 | C08 | N19 | 176.6° | 179.6° |
| C06 | C07 | N19 | C20 | 179.7° | 179.9° |
| C06 | C07 | N19 | C04 | 0.9° | 0.4° |
| C06 | C07 | C08 | C18 | 129.2° | 20.4° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.4° | 0.3° |
| C09 | C08 | C18 | C17 | 1.6° | 0.6° |
| C09 | C08 | C07 | C18 | 176.7° | 179.4° |
| C09 | C08 | C07 | N19 | 135.9° | 21.4° |
| C08 | C09 | C10 | H101 | 179.6° | 180.0° |
| C09 | C08 | C18 | H181 | 178.4° | 179.5° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C09 | C10 | C11 | O12 | 180.0° | 180.0° |
| C09 | C10 | C11 | C17 | 1.1° | 0.0° |
| C10 | C09 | C08 | C07 | 178.3° | 180.0° |
| C10 | C09 | C08 | C18 | 1.7° | 0.5° |
| C10 | C11 | O12 | C13 | 84.9° | 4.9° |
| C10 | C11 | O12 | C17 | 178.9° | 180.0° |
| C10 | C11 | C17 | C18 | 1.2° | 0.0° |
| C10 | C11 | C17 | H171 | 178.8° | 180.0° |
| C11 | C10 | C09 | H091 | 179.6° | 179.8° |
| O12 | C13 | C14 | C15 | 119.9° | 120.0° |
| O12 | C13 | C14 | C16 | 122.9° | 120.0° |
| O12 | C13 | C15 | C16 | 120.5° | 120.0° |
| C13 | O12 | C11 | C17 | 96.2° | 175.2° |
| O12 | C13 | C15 | H153 | 180.0° | 71.1° |
| O12 | C13 | C15 | H151 | 60.0° | 168.9° |
| O12 | C13 | C15 | H152 | 60.0° | 48.8° |
| O12 | C13 | C14 | H143 | 180.0° | 60.3° |
| O12 | C13 | C14 | H142 | 60.0° | 179.7° |
| O12 | C13 | C14 | H141 | 60.0° | 59.7° |
| O12 | C13 | C16 | H161 | 180.0° | 60.0° |
| O12 | C13 | C16 | H163 | 60.0° | 180.0° |
| O12 | C13 | C16 | H162 | 60.0° | 60.0° |
| C14 | C13 | C15 | C16 | 116.2° | 120.0° |
| C14 | C13 | O12 | C11 | 38.1° | 64.7° |
| C14 | C13 | C15 | H153 | 56.7° | 168.9° |
| C14 | C13 | C15 | H151 | 176.7° | 48.9° |
| C14 | C13 | C15 | H152 | 63.3° | 71.2° |
| C13 | C14 | H143 | H142 | 120.0° | 120.0° |
| C13 | C14 | H143 | H141 | 120.0° | 119.9° |
| C13 | C14 | H142 | H141 | 120.0° | 119.9° |
| C14 | C13 | C16 | H161 | 55.7° | 60.0° |
| C14 | C13 | C16 | H163 | 64.4° | 59.9° |
| C14 | C13 | C16 | H162 | 175.7° | 180.0° |
| C15 | C13 | O12 | C11 | 158.5° | 55.3° |
| C13 | C15 | H153 | H151 | 120.0° | 120.0° |
| C13 | C15 | H153 | H152 | 120.0° | 120.0° |
| C13 | C15 | H151 | H152 | 120.0° | 120.0° |
| C15 | C13 | C14 | H143 | 60.1° | 59.7° |
| C15 | C13 | C14 | H142 | 59.9° | 60.3° |
| C15 | C13 | C14 | H141 | 179.9° | 179.7° |
| C15 | C13 | C16 | H161 | 61.5° | 179.9° |
| C15 | C13 | C16 | H163 | 178.5° | 60.0° |
| C15 | C13 | C16 | H162 | 58.5° | 60.0° |
| C16 | C13 | O12 | C11 | 82.6° | 175.2° |
| C16 | C13 | C15 | H153 | 59.5° | 48.9° |
| C16 | C13 | C15 | H151 | 60.5° | 71.1° |
| C16 | C13 | C15 | H152 | 179.5° | 168.8° |
| C16 | C13 | C14 | H143 | 57.1° | 179.7° |
| C16 | C13 | C14 | H142 | 177.1° | 59.7° |
| C16 | C13 | C14 | H141 | 62.9° | 60.3° |
| C13 | C16 | H161 | H163 | 120.0° | 120.0° |
| C13 | C16 | H161 | H162 | 120.0° | 120.1° |
| C13 | C16 | H163 | H162 | 120.0° | 120.1° |
| O12 | C11 | C17 | C18 | 179.8° | 179.9° |
| O12 | C11 | C10 | H101 | 0.0° | 0.2° |
| O12 | C11 | C17 | H171 | 0.2° | 0.0° |
| C11 | C17 | C18 | H171 | 180.0° | 180.0° |
| C11 | C17 | C18 | C08 | 0.1° | 0.3° |
| C17 | C11 | C10 | H101 | 178.9° | 179.8° |
| C11 | C17 | C18 | H181 | 179.9° | 179.7° |
| C17 | C18 | C08 | C07 | 178.4° | 180.0° |
| C17 | C18 | C08 | H181 | 180.0° | 180.0° |
| C08 | C07 | N19 | C20 | 2.7° | 0.3° |
| C08 | C07 | N19 | C04 | 177.9° | 180.0° |
| C08 | C07 | C06 | H061 | 1.9° | 0.2° |
| C07 | C08 | C09 | H091 | 1.7° | 0.1° |
| C07 | C08 | C18 | H181 | 1.6° | 0.0° |
| C07 | N19 | C20 | C04 | 179.4° | 179.6° |
| C07 | N19 | C20 | C21 | 179.4° | 179.7° |
| N19 | C07 | C08 | C18 | 47.4° | 159.1° |
| C07 | N19 | C20 | H201 | 0.6° | 0.1° |
| N19 | C07 | C06 | H061 | 179.0° | 179.9° |
| N19 | C20 | C21 | H201 | 180.0° | 179.8° |
| N19 | C20 | C21 | C22 | 179.3° | 180.0° |
| N19 | C20 | C21 | C02 | 0.2° | 0.0° |
| C20 | C21 | C22 | C02 | 179.1° | 180.0° |
| C20 | C21 | C22 | C23 | 83.9° | 114.7° |
| C21 | C20 | N19 | C04 | 0.1° | 0.1° |
| C20 | C21 | C22 | C31 | 96.8° | 65.0° |
| C21 | C22 | C23 | C31 | 179.3° | 179.7° |
| C21 | C22 | C23 | C24 | 179.7° | 180.0° |
| C21 | C22 | C31 | C30 | 179.6° | 179.9° |
| C22 | C21 | C20 | H201 | 0.7° | 0.3° |
| C21 | C22 | C23 | H231 | 0.3° | 0.0° |
| C21 | C22 | C31 | H311 | 0.4° | 0.1° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C22 | C31 | C30 | 0.2° | 0.3° |
| C23 | C22 | C21 | C02 | 97.0° | 65.2° |
| C22 | C23 | C24 | H241 | 179.9° | 180.0° |
| C23 | C22 | C31 | H311 | 179.8° | 179.7° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | O26 | 179.6° | 180.0° |
| C23 | C24 | C25 | C30 | 0.6° | 0.3° |
| C24 | C23 | C22 | C31 | 0.3° | 0.3° |
| C24 | C25 | O26 | C27 | 110.3° | 174.3° |
| C24 | C25 | O26 | C30 | 179.0° | 179.7° |
| C24 | C25 | C30 | C31 | 0.8° | 0.2° |
| C25 | C24 | C23 | H231 | 179.9° | 180.0° |
| C24 | C25 | C30 | H301 | 179.2° | 180.0° |
| O26 | C27 | C28 | C29 | 116.2° | 120.0° |
| O26 | C27 | C28 | H271 | 121.8° | 120.0° |
| O26 | C27 | C29 | H271 | 121.4° | 119.9° |
| C27 | O26 | C25 | C30 | 70.8° | 5.9° |
| O26 | C27 | C28 | H281 | 180.0° | 60.0° |
| O26 | C27 | C28 | H282 | 60.0° | 180.0° |
| O26 | C27 | C28 | H283 | 60.0° | 60.0° |
| O26 | C27 | C29 | H291 | 180.0° | 59.9° |
| O26 | C27 | C29 | H292 | 60.0° | 180.0° |
| O26 | C27 | C29 | H293 | 60.0° | 60.0° |
| C28 | C27 | C29 | H271 | 121.3° | 120.1° |
| C28 | C27 | O26 | C25 | 96.5° | 155.0° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| C28 | C27 | C29 | H291 | 62.7° | 179.9° |
| C28 | C27 | C29 | H292 | 177.3° | 60.0° |
| C28 | C27 | C29 | H293 | 57.3° | 60.0° |
| C29 | C27 | O26 | C25 | 144.3° | 84.9° |
| C29 | C27 | C28 | H281 | 63.8° | 60.0° |
| C29 | C27 | C28 | H282 | 56.2° | 60.0° |
| C29 | C27 | C28 | H283 | 176.2° | 180.0° |
| C27 | C29 | H291 | H292 | 120.0° | 120.1° |
| C27 | C29 | H291 | H293 | 120.0° | 120.0° |
| C27 | C29 | H292 | H293 | 120.0° | 120.0° |
| O26 | C25 | C30 | C31 | 179.8° | 180.0° |
| O26 | C25 | C24 | H241 | 0.4° | 0.0° |
| C25 | O26 | C27 | H271 | 23.8° | 35.0° |
| O26 | C25 | C30 | H301 | 0.2° | 0.2° |
| C25 | C30 | C31 | H301 | 180.0° | 179.8° |
| C25 | C30 | C31 | C22 | 0.4° | 0.1° |
| C30 | C25 | C24 | H241 | 179.4° | 179.8° |
| C25 | C30 | C31 | H311 | 179.6° | 180.0° |
| C30 | C31 | C22 | H311 | 180.0° | 180.0° |
| C02 | C21 | C22 | C31 | 82.4° | 115.0° |
| C02 | C21 | C20 | H201 | 179.8° | 179.8° |
| C21 | C02 | C01 | H011 | 90.1° | 89.9° |
| C21 | C02 | C01 | H013 | 29.8° | 150.0° |
| C21 | C02 | C01 | H012 | 149.9° | 30.1° |
| C21 | C02 | C03 | H031 | 179.8° | 180.0° |
| C04 | N19 | C20 | H201 | 179.9° | 179.7° |
| N19 | C04 | C03 | H031 | 179.9° | 179.9° |
| C08 | C18 | C17 | H171 | 179.9° | 179.7° |
| C18 | C08 | C09 | H091 | 178.3° | 179.5° |
| C31 | C22 | C23 | H231 | 179.7° | 179.7° |
| C22 | C31 | C30 | H301 | 179.6° | 179.7° |
| H101 | C10 | C09 | H091 | 0.4° | 0.0° |
| H153 | C15 | H151 | H152 | 120.0° | 120.0° |
| H171 | C17 | C18 | H181 | 0.1° | 0.2° |
| H241 | C24 | C23 | H231 | 0.1° | 0.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H281 | C28 | C27 | H271 | 58.2° | 180.0° |
| H282 | C28 | C27 | H271 | 178.2° | 60.0° |
| H283 | C28 | C27 | H271 | 61.8° | 59.9° |
| H011 | C01 | H013 | H012 | 120.0° | 119.9° |
| H143 | C14 | H142 | H141 | 120.0° | 120.1° |
| H161 | C16 | H163 | H162 | 120.0° | 120.0° |
| H271 | C27 | C29 | H291 | 58.6° | 60.0° |
| H271 | C27 | C29 | H292 | 61.4° | 60.1° |
| H271 | C27 | C29 | H293 | 178.6° | 180.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 0.4° | 0.3° |
