A1AIC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | doub | 1.31Å | 1.37Å | Aromatic |
| C03 | N02 | sing | 1.34Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.41Å | 1.46Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.45Å | Aromatic |
| C07 | C06 | sing | 1.36Å | 1.40Å | Aromatic |
| C08 | C07 | doub | 1.40Å | 1.45Å | Aromatic |
| C09 | C08 | sing | 1.42Å | 1.44Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | C09 | sing | 1.48Å | 1.49Å | |
| C12 | C11 | doub | 1.37Å | 1.35Å | Aromatic |
| N13 | C12 | sing | 1.35Å | 1.34Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| O16 | C15 | sing | 1.43Å | 1.39Å | |
| C17 | O16 | sing | 1.43Å | 1.33Å | |
| C14 | N13 | sing | 1.46Å | 1.53Å | |
| N18 | N13 | sing | 1.40Å | 1.34Å | Aromatic |
| C19 | N18 | doub | 1.31Å | 1.32Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| N20 | C04 | sing | 1.39Å | 1.47Å | |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| C23 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.35Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| O28 | C25 | sing | 1.36Å | 1.38Å | |
| C29 | O28 | sing | 1.43Å | 1.39Å | |
| C30 | C29 | sing | 1.53Å | 1.59Å | |
| C31 | C29 | sing | 1.53Å | 1.51Å | |
| C21 | N20 | sing | 1.47Å | 1.46Å | |
| C01 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C03 | C08 | sing | 1.41Å | 1.39Å | Aromatic |
| C11 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 121.0° | 121.7° |
| N02 | C01 | C10 | 118.0° | 121.8° |
| N02 | C01 | H011 | 121.0° | 119.0° |
| N02 | C03 | C04 | 116.7° | 120.9° |
| N02 | C03 | C08 | 121.8° | 120.1° |
| C03 | C04 | C05 | 120.2° | 119.5° |
| C03 | C04 | N20 | 116.5° | 120.3° |
| C04 | C03 | C08 | 121.5° | 119.0° |
| C05 | C06 | C07 | 120.1° | 120.9° |
| C06 | C05 | C04 | 119.2° | 120.8° |
| C06 | C05 | H051 | 120.4° | 119.6° |
| C05 | C06 | H061 | 119.9° | 119.5° |
| C06 | C07 | C08 | 120.7° | 119.9° |
| C07 | C06 | H061 | 119.9° | 119.5° |
| C06 | C07 | H071 | 119.6° | 120.0° |
| C07 | C08 | C09 | 123.8° | 121.3° |
| C07 | C08 | C03 | 118.2° | 119.9° |
| C08 | C07 | H071 | 119.7° | 120.1° |
| C08 | C09 | C10 | 119.6° | 117.9° |
| C08 | C09 | C11 | 125.0° | 121.1° |
| C09 | C08 | C03 | 118.0° | 118.9° |
| C10 | C09 | C11 | 115.0° | 121.1° |
| C09 | C10 | C01 | 121.6° | 119.6° |
| C09 | C10 | H101 | 119.2° | 120.3° |
| C09 | C11 | C12 | 133.0° | 126.3° |
| C09 | C11 | C19 | 119.3° | 126.3° |
| C11 | C12 | N13 | 106.0° | 107.6° |
| C12 | C11 | C19 | 107.0° | 107.4° |
| C11 | C12 | H121 | 127.0° | 126.1° |
| C12 | N13 | C14 | 125.8° | 125.9° |
| C12 | N13 | N18 | 112.1° | 108.3° |
| N13 | C12 | H121 | 127.0° | 126.2° |
| C14 | C15 | O16 | 107.1° | 109.5° |
| C15 | C14 | N13 | 115.7° | 109.5° |
| C15 | C14 | H141 | 107.9° | 109.4° |
| C15 | C14 | H142 | 107.9° | 109.5° |
| C14 | C15 | H152 | 110.1° | 109.5° |
| C14 | C15 | H151 | 110.0° | 109.5° |
| C15 | O16 | C17 | 112.0° | 114.0° |
| O16 | C15 | H152 | 110.1° | 109.4° |
| O16 | C15 | H151 | 110.1° | 109.5° |
| O16 | C17 | H171 | 109.5° | 109.4° |
| O16 | C17 | H172 | 109.5° | 109.5° |
| O16 | C17 | H173 | 109.5° | 109.5° |
| C14 | N13 | N18 | 122.1° | 125.8° |
| N13 | C14 | H141 | 107.9° | 109.5° |
| N13 | C14 | H142 | 107.9° | 109.5° |
| N13 | N18 | C19 | 105.7° | 108.6° |
| N18 | C19 | C11 | 109.1° | 108.1° |
| N18 | C19 | H191 | 125.5° | 126.0° |
| C05 | C04 | N20 | 123.3° | 120.2° |
| C04 | C05 | H051 | 120.4° | 119.6° |
| C04 | N20 | C21 | 121.1° | 120.0° |
| C04 | N20 | H201 | 106.5° | 120.0° |
| C21 | C22 | C23 | 120.9° | 119.9° |
| C22 | C21 | N20 | 109.0° | 109.4° |
| C21 | C22 | C27 | 119.4° | 120.0° |
| C22 | C21 | H211 | 109.6° | 109.5° |
| C22 | C21 | H212 | 109.6° | 109.5° |
| C22 | C23 | C24 | 119.2° | 120.0° |
| C23 | C22 | C27 | 119.5° | 120.1° |
| C22 | C23 | H231 | 120.4° | 120.0° |
| C23 | C24 | C25 | 121.4° | 120.0° |
| C24 | C23 | H231 | 120.4° | 120.0° |
| C23 | C24 | H241 | 119.3° | 120.0° |
| C24 | C25 | C26 | 119.4° | 119.9° |
| C24 | C25 | O28 | 121.0° | 120.1° |
| C25 | C24 | H241 | 119.3° | 120.1° |
| C27 | C26 | C25 | 119.3° | 119.9° |
| C26 | C27 | C22 | 121.0° | 120.1° |
| C27 | C26 | H261 | 120.3° | 120.1° |
| C26 | C27 | H271 | 119.5° | 120.0° |
| C26 | C25 | O28 | 119.6° | 120.1° |
| C25 | C26 | H261 | 120.4° | 120.0° |
| C25 | O28 | C29 | 120.6° | 117.0° |
| O28 | C29 | C30 | 106.5° | 109.5° |
| O28 | C29 | C31 | 110.2° | 109.4° |
| O28 | C29 | H291 | 111.5° | 109.5° |
| C30 | C29 | C31 | 110.2° | 109.5° |
| C30 | C29 | H291 | 108.7° | 109.5° |
| C29 | C30 | H303 | 109.5° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.5° |
| C29 | C30 | H301 | 109.5° | 109.4° |
| C31 | C29 | H291 | 109.7° | 109.5° |
| C29 | C31 | H313 | 109.5° | 109.4° |
| C29 | C31 | H311 | 109.4° | 109.5° |
| C29 | C31 | H312 | 109.5° | 109.5° |
| N20 | C21 | H211 | 109.6° | 109.5° |
| N20 | C21 | H212 | 109.6° | 109.5° |
| C21 | N20 | H201 | 106.5° | 120.0° |
| C10 | C01 | H011 | 121.0° | 119.1° |
| C01 | C10 | H101 | 119.2° | 120.1° |
| C11 | C19 | H191 | 125.4° | 126.0° |
| C22 | C27 | H271 | 119.5° | 120.0° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.4° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H303 | C30 | H302 | 109.5° | 109.5° |
| H303 | C30 | H301 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H313 | C31 | H311 | 109.5° | 109.5° |
| H313 | C31 | H312 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C04 | 180.0° | 180.0° |
| N02 | C01 | C10 | C09 | 1.2° | 0.2° |
| N02 | C01 | C10 | H011 | 180.0° | 179.7° |
| C01 | N02 | C03 | C08 | 1.2° | 0.0° |
| N02 | C01 | C10 | H101 | 178.9° | 179.7° |
| N02 | C03 | C04 | C08 | 178.8° | 180.0° |
| N02 | C03 | C08 | C07 | 179.8° | 179.9° |
| N02 | C03 | C08 | C09 | 0.5° | 0.3° |
| N02 | C03 | C04 | C05 | 179.4° | 180.0° |
| N02 | C03 | C04 | N20 | 1.6° | 0.0° |
| C03 | N02 | C01 | C10 | 0.4° | 0.0° |
| C03 | N02 | C01 | H011 | 179.7° | 179.7° |
| C03 | C04 | C05 | C06 | 0.4° | 0.0° |
| C04 | C03 | C08 | C07 | 1.5° | 0.0° |
| C04 | C03 | C08 | C09 | 179.2° | 179.7° |
| C03 | C04 | C05 | N20 | 179.0° | 179.9° |
| C03 | C04 | N20 | C21 | 137.3° | 180.0° |
| C03 | C04 | C05 | H051 | 179.6° | 180.0° |
| C03 | C04 | N20 | H201 | 15.6° | 0.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.4° | 0.1° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | N20 | 178.6° | 180.0° |
| C05 | C06 | C07 | H071 | 179.6° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 179.3° | 179.7° |
| C07 | C06 | C05 | C04 | 0.5° | 0.1° |
| C06 | C07 | C08 | C03 | 1.4° | 0.1° |
| C07 | C06 | C05 | H051 | 179.5° | 180.0° |
| C07 | C08 | C09 | C03 | 179.3° | 179.8° |
| C07 | C08 | C09 | C10 | 178.3° | 179.7° |
| C07 | C08 | C09 | C11 | 6.3° | 0.2° |
| C08 | C07 | C06 | H061 | 179.6° | 180.0° |
| C08 | C09 | C10 | C11 | 172.8° | 179.5° |
| C08 | C09 | C11 | C12 | 147.3° | 130.3° |
| C08 | C09 | C10 | C01 | 1.8° | 0.5° |
| C08 | C09 | C11 | C19 | 43.5° | 50.0° |
| C09 | C08 | C07 | H071 | 0.7° | 0.3° |
| C08 | C09 | C10 | H101 | 178.2° | 179.5° |
| C10 | C09 | C11 | C12 | 40.4° | 50.2° |
| C09 | C10 | C01 | H101 | 180.0° | 180.0° |
| C10 | C09 | C08 | C03 | 1.0° | 0.5° |
| C10 | C09 | C11 | C19 | 128.9° | 129.5° |
| C09 | C10 | C01 | H011 | 178.8° | 179.9° |
| C09 | C11 | C12 | C19 | 170.2° | 179.7° |
| C09 | C11 | C12 | N13 | 173.8° | 180.0° |
| C09 | C11 | C19 | N18 | 174.9° | 180.0° |
| C11 | C09 | C10 | C01 | 174.6° | 180.0° |
| C11 | C09 | C08 | C03 | 173.0° | 180.0° |
| C11 | C09 | C10 | H101 | 5.4° | 0.0° |
| C09 | C11 | C12 | H121 | 6.2° | 0.0° |
| C09 | C11 | C19 | H191 | 5.1° | 0.1° |
| C11 | C12 | N13 | H121 | 180.0° | 180.0° |
| C11 | C12 | N13 | C14 | 178.9° | 180.0° |
| C11 | C12 | N13 | N18 | 3.0° | 0.2° |
| C12 | C11 | C19 | N18 | 3.1° | 0.3° |
| C12 | C11 | C19 | H191 | 176.9° | 179.8° |
| C12 | N13 | C14 | C15 | 135.3° | 125.0° |
| C12 | N13 | C14 | N18 | 178.0° | 179.8° |
| C12 | N13 | N18 | C19 | 1.0° | 0.0° |
| N13 | C12 | C11 | C19 | 3.6° | 0.3° |
| C12 | N13 | C14 | H141 | 103.8° | 5.1° |
| C12 | N13 | C14 | H142 | 14.4° | 114.9° |
| C14 | C15 | O16 | H152 | 119.6° | 120.0° |
| C14 | C15 | O16 | H151 | 119.6° | 120.0° |
| C14 | C15 | O16 | C17 | 120.4° | 180.0° |
| C15 | C14 | N13 | H141 | 120.9° | 120.0° |
| C15 | C14 | N13 | H142 | 120.9° | 120.0° |
| C15 | C14 | N13 | N18 | 46.7° | 54.8° |
| C15 | C14 | H141 | H142 | 117.2° | 120.0° |
| C14 | C15 | H152 | H151 | 121.1° | 120.0° |
| O16 | C15 | C14 | N13 | 64.0° | 180.0° |
| O16 | C15 | C14 | H141 | 175.1° | 60.0° |
| O16 | C15 | C14 | H142 | 56.9° | 60.0° |
| O16 | C15 | H152 | H151 | 121.1° | 120.0° |
| C15 | O16 | C17 | H171 | 180.0° | 60.0° |
| C15 | O16 | C17 | H172 | 60.0° | 180.0° |
| C15 | O16 | C17 | H173 | 60.0° | 60.0° |
| C17 | O16 | C15 | H152 | 0.7° | 60.0° |
| C17 | O16 | C15 | H151 | 120.0° | 60.0° |
| O16 | C17 | H171 | H172 | 120.0° | 120.0° |
| O16 | C17 | H171 | H173 | 120.0° | 120.0° |
| O16 | C17 | H172 | H173 | 120.0° | 120.1° |
| C14 | N13 | N18 | C19 | 179.3° | 179.8° |
| C14 | N13 | C12 | H121 | 1.1° | 0.0° |
| N13 | C14 | H141 | H142 | 117.2° | 120.0° |
| N13 | C14 | C15 | H152 | 176.4° | 60.0° |
| N13 | C14 | C15 | H151 | 55.6° | 60.0° |
| N13 | N18 | C19 | C11 | 1.3° | 0.2° |
| N18 | N13 | C12 | H121 | 177.0° | 179.8° |
| N18 | N13 | C14 | H141 | 74.2° | 174.7° |
| N18 | N13 | C14 | H142 | 167.6° | 65.3° |
| N13 | N18 | C19 | H191 | 178.7° | 179.9° |
| N18 | C19 | C11 | H191 | 180.0° | 179.9° |
| C05 | C04 | N20 | C21 | 41.8° | 0.1° |
| C05 | C04 | C03 | C08 | 0.6° | 0.0° |
| C04 | C05 | C06 | H061 | 179.5° | 180.0° |
| C05 | C04 | N20 | H201 | 163.4° | 179.9° |
| C04 | N20 | C21 | C22 | 163.0° | 180.0° |
| C04 | N20 | C21 | H201 | 121.6° | 180.0° |
| N20 | C04 | C03 | C08 | 179.6° | 180.0° |
| N20 | C04 | C05 | H051 | 1.4° | 0.1° |
| C04 | N20 | C21 | H211 | 43.1° | 60.0° |
| C04 | N20 | C21 | H212 | 77.1° | 60.0° |
| C21 | C22 | C23 | C27 | 176.7° | 179.7° |
| C21 | C22 | C23 | C24 | 179.7° | 180.0° |
| C21 | C22 | C27 | C26 | 179.5° | 179.8° |
| C22 | C21 | N20 | H211 | 119.9° | 120.0° |
| C22 | C21 | N20 | H212 | 119.9° | 120.0° |
| C22 | C21 | H211 | H212 | 120.2° | 120.0° |
| C21 | C22 | C23 | H231 | 0.3° | 0.0° |
| C21 | C22 | C27 | H271 | 0.5° | 0.0° |
| C22 | C21 | N20 | H201 | 41.3° | 0.0° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 2.8° | 0.0° |
| C23 | C22 | C27 | C26 | 3.8° | 0.5° |
| C23 | C22 | C21 | N20 | 114.6° | 89.7° |
| C23 | C22 | C21 | H211 | 125.4° | 30.3° |
| C23 | C22 | C21 | H212 | 5.3° | 150.3° |
| C22 | C23 | C24 | H241 | 177.2° | 180.0° |
| C23 | C22 | C27 | H271 | 176.2° | 179.7° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 2.1° | 0.0° |
| C23 | C24 | C25 | O28 | 179.4° | 180.0° |
| C24 | C23 | C22 | C27 | 3.6° | 0.2° |
| C24 | C25 | C26 | C27 | 2.1° | 0.2° |
| C24 | C25 | C26 | O28 | 177.4° | 180.0° |
| C24 | C25 | O28 | C29 | 23.2° | 5.4° |
| C25 | C24 | C23 | H231 | 177.2° | 180.0° |
| C24 | C25 | C26 | H261 | 177.9° | 180.0° |
| C27 | C26 | C25 | H261 | 180.0° | 179.7° |
| C27 | C26 | C25 | O28 | 179.5° | 179.8° |
| C26 | C27 | C22 | H271 | 180.0° | 179.8° |
| C26 | C25 | O28 | C29 | 159.4° | 174.6° |
| C25 | C26 | C27 | C22 | 3.1° | 0.5° |
| C26 | C25 | C24 | H241 | 177.9° | 180.0° |
| C25 | C26 | C27 | H271 | 176.9° | 179.7° |
| C25 | O28 | C29 | C30 | 168.0° | 84.8° |
| C25 | O28 | C29 | C31 | 72.5° | 155.2° |
| O28 | C25 | C24 | H241 | 0.6° | 0.0° |
| O28 | C25 | C26 | H261 | 0.5° | 0.1° |
| C25 | O28 | C29 | H291 | 49.6° | 35.2° |
| O28 | C29 | C30 | C31 | 119.6° | 120.0° |
| O28 | C29 | C30 | H291 | 120.2° | 120.0° |
| O28 | C29 | C31 | H291 | 123.1° | 120.0° |
| O28 | C29 | C30 | H303 | 180.0° | 60.0° |
| O28 | C29 | C30 | H302 | 60.0° | 180.0° |
| O28 | C29 | C30 | H301 | 60.0° | 60.0° |
| O28 | C29 | C31 | H313 | 180.0° | 60.0° |
| O28 | C29 | C31 | H311 | 60.0° | 180.0° |
| O28 | C29 | C31 | H312 | 60.0° | 60.0° |
| C30 | C29 | C31 | H291 | 119.6° | 120.0° |
| C29 | C30 | H303 | H302 | 120.0° | 120.0° |
| C29 | C30 | H303 | H301 | 120.0° | 119.9° |
| C29 | C30 | H302 | H301 | 120.0° | 120.0° |
| C30 | C29 | C31 | H313 | 62.7° | 180.0° |
| C30 | C29 | C31 | H311 | 177.3° | 60.0° |
| C30 | C29 | C31 | H312 | 57.3° | 60.0° |
| C31 | C29 | C30 | H303 | 60.4° | 60.0° |
| C31 | C29 | C30 | H302 | 59.6° | 60.0° |
| C31 | C29 | C30 | H301 | 179.5° | 180.0° |
| C29 | C31 | H313 | H311 | 120.0° | 120.0° |
| C29 | C31 | H313 | H312 | 120.0° | 120.0° |
| C29 | C31 | H311 | H312 | 120.0° | 120.0° |
| N20 | C21 | C22 | C27 | 68.7° | 90.0° |
| N20 | C21 | H211 | H212 | 120.2° | 120.0° |
| C03 | C08 | C07 | H071 | 178.6° | 180.0° |
| C19 | C11 | C12 | H121 | 176.4° | 179.7° |
| C27 | C22 | C21 | H211 | 51.2° | 150.0° |
| C27 | C22 | C21 | H212 | 171.3° | 30.0° |
| C27 | C22 | C23 | H231 | 176.4° | 179.8° |
| C22 | C27 | C26 | H261 | 177.0° | 179.8° |
| H011 | C01 | C10 | H101 | 1.2° | 0.0° |
| H051 | C05 | C06 | H061 | 0.5° | 0.0° |
| H061 | C06 | C07 | H071 | 0.4° | 0.0° |
| H141 | C14 | C15 | H152 | 55.5° | 60.0° |
| H141 | C14 | C15 | H151 | 65.3° | 180.0° |
| H142 | C14 | C15 | H152 | 62.7° | 179.9° |
| H142 | C14 | C15 | H151 | 176.5° | 60.1° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
| H211 | C21 | N20 | H201 | 78.6° | 119.9° |
| H212 | C21 | N20 | H201 | 161.3° | 120.0° |
| H231 | C23 | C24 | H241 | 2.8° | 0.0° |
| H261 | C26 | C27 | H271 | 3.0° | 0.0° |
| H291 | C29 | C30 | H303 | 59.8° | 180.0° |
| H291 | C29 | C30 | H302 | 179.8° | 60.0° |
| H291 | C29 | C30 | H301 | 60.2° | 60.0° |
| H291 | C29 | C31 | H313 | 56.9° | 60.0° |
| H291 | C29 | C31 | H311 | 63.1° | 60.0° |
| H291 | C29 | C31 | H312 | 176.9° | 180.0° |
| H303 | C30 | H302 | H301 | 120.0° | 120.0° |
| H313 | C31 | H311 | H312 | 120.0° | 120.0° |
