A1A4J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C16 | sing | 1.36Å | 1.40Å | |
| O1 | C21 | sing | 1.43Å | 1.41Å | |
| O2 | C17 | sing | 1.36Å | 1.39Å | |
| O2 | C18 | sing | 1.43Å | 1.40Å | |
| O3 | C7 | sing | 1.36Å | 1.41Å | |
| O3 | C19 | sing | 1.43Å | 1.41Å | |
| O4 | C8 | sing | 1.36Å | 1.41Å | |
| O4 | C20 | sing | 1.43Å | 1.40Å | |
| N1 | C4 | sing | 1.46Å | 1.47Å | |
| N1 | C5 | sing | 1.45Å | 1.47Å | |
| N1 | C13 | sing | 1.47Å | 1.47Å | |
| N1 | C22 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | doub | 1.39Å | 1.50Å | Aromatic |
| C1 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | C14 | sing | 1.38Å | 1.30Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.50Å | 1.54Å | |
| C6 | C7 | doub | 1.39Å | 1.51Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.30Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.52Å | Aromatic |
| C11 | C12 | sing | 1.50Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C14 | C15 | doub | 1.38Å | 1.52Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H03 | sing | 1.09Å | 1.10Å | |
| C22 | H02 | sing | 1.09Å | 1.10Å | |
| C22 | H01 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O1 | C21 | 115.6° | 117.0° |
| O1 | C16 | C15 | 122.3° | 120.1° |
| O1 | C16 | C17 | 117.7° | 120.2° |
| O1 | C21 | H213 | 109.5° | 109.5° |
| O1 | C21 | H211 | 109.5° | 109.5° |
| O1 | C21 | H212 | 109.5° | 109.4° |
| C17 | O2 | C18 | 114.8° | 117.0° |
| O2 | C17 | C1 | 119.3° | 120.0° |
| O2 | C17 | C16 | 118.3° | 120.1° |
| O2 | C18 | H183 | 109.5° | 109.4° |
| O2 | C18 | H181 | 109.5° | 109.5° |
| O2 | C18 | H182 | 109.5° | 109.5° |
| C7 | O3 | C19 | 115.0° | 117.0° |
| O3 | C7 | C6 | 119.0° | 119.9° |
| O3 | C7 | C8 | 119.6° | 119.9° |
| O3 | C19 | H193 | 109.5° | 109.4° |
| O3 | C19 | H192 | 109.5° | 109.5° |
| O3 | C19 | H191 | 109.5° | 109.5° |
| C8 | O4 | C20 | 117.3° | 117.0° |
| O4 | C8 | C7 | 119.3° | 120.1° |
| O4 | C8 | C9 | 118.1° | 120.2° |
| O4 | C20 | H202 | 109.5° | 109.5° |
| O4 | C20 | H203 | 109.5° | 109.5° |
| O4 | C20 | H201 | 109.5° | 109.5° |
| C4 | N1 | C5 | 108.0° | 112.4° |
| C4 | N1 | C13 | 111.4° | 108.9° |
| C4 | N1 | C22 | 107.1° | 108.1° |
| N1 | C4 | C3 | 114.8° | 108.1° |
| N1 | C4 | H41 | 108.1° | 109.7° |
| N1 | C4 | H42 | 108.1° | 109.8° |
| C5 | N1 | C13 | 111.7° | 111.5° |
| C5 | N1 | C22 | 110.1° | 108.2° |
| N1 | C5 | C6 | 117.2° | 111.8° |
| N1 | C5 | H52 | 107.5° | 109.0° |
| N1 | C5 | H51 | 107.5° | 109.1° |
| C13 | N1 | C22 | 108.5° | 107.6° |
| N1 | C13 | C12 | 111.5° | 108.8° |
| N1 | C13 | C14 | 109.5° | 108.2° |
| N1 | C13 | H131 | 108.9° | 111.0° |
| N1 | C22 | H03 | 109.5° | 109.5° |
| N1 | C22 | H02 | 109.5° | 109.5° |
| N1 | C22 | H01 | 109.5° | 109.5° |
| C2 | C1 | C17 | 116.4° | 120.3° |
| C1 | C2 | C3 | 111.8° | 118.2° |
| C1 | C2 | C14 | 118.0° | 119.7° |
| C2 | C1 | H11 | 121.8° | 119.9° |
| C1 | C17 | C16 | 118.3° | 119.8° |
| C17 | C1 | H11 | 121.8° | 119.8° |
| C3 | C2 | C14 | 122.1° | 122.1° |
| C2 | C3 | C4 | 111.3° | 110.3° |
| C2 | C3 | H31 | 109.0° | 109.3° |
| C2 | C3 | H32 | 109.0° | 109.3° |
| C2 | C14 | C13 | 121.1° | 121.1° |
| C2 | C14 | C15 | 119.5° | 120.3° |
| C4 | C3 | H31 | 109.0° | 109.4° |
| C4 | C3 | H32 | 109.0° | 109.4° |
| C3 | C4 | H41 | 108.1° | 109.7° |
| C3 | C4 | H42 | 108.1° | 109.7° |
| C5 | C6 | C7 | 118.5° | 118.6° |
| C5 | C6 | C11 | 121.3° | 121.5° |
| C6 | C5 | H52 | 107.5° | 109.0° |
| C6 | C5 | H51 | 107.5° | 109.0° |
| C7 | C6 | C11 | 120.0° | 119.9° |
| C6 | C7 | C8 | 121.4° | 120.2° |
| C6 | C11 | C10 | 118.6° | 119.9° |
| C6 | C11 | C12 | 120.5° | 121.5° |
| C7 | C8 | C9 | 116.9° | 119.7° |
| C8 | C9 | C10 | 122.0° | 119.9° |
| C8 | C9 | H91 | 119.0° | 120.0° |
| C9 | C10 | C11 | 118.6° | 120.5° |
| C10 | C9 | H91 | 119.0° | 120.1° |
| C9 | C10 | H101 | 120.7° | 119.7° |
| C10 | C11 | C12 | 116.4° | 118.6° |
| C11 | C10 | H101 | 120.7° | 119.8° |
| C11 | C12 | C13 | 110.8° | 110.8° |
| C11 | C12 | H122 | 109.2° | 109.2° |
| C11 | C12 | H121 | 109.1° | 109.2° |
| C12 | C13 | C14 | 110.8° | 107.6° |
| C13 | C12 | H122 | 109.1° | 109.2° |
| C13 | C12 | H121 | 109.1° | 109.2° |
| C12 | C13 | H131 | 108.0° | 110.6° |
| C13 | C14 | C15 | 118.1° | 118.6° |
| C14 | C13 | H131 | 108.0° | 110.6° |
| C14 | C15 | C16 | 118.3° | 120.2° |
| C14 | C15 | H151 | 120.9° | 119.9° |
| C15 | C16 | C17 | 119.7° | 119.7° |
| C16 | C15 | H151 | 120.8° | 119.9° |
| H202 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.4° |
| H203 | C20 | H201 | 109.5° | 109.5° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H03 | C22 | H02 | 109.5° | 109.4° |
| H03 | C22 | H01 | 109.5° | 109.5° |
| H02 | C22 | H01 | 109.5° | 109.4° |
| H31 | C3 | H32 | 109.5° | 109.2° |
| H41 | C4 | H42 | 109.5° | 109.7° |
| H52 | C5 | H51 | 109.5° | 108.9° |
| H122 | C12 | H121 | 109.5° | 109.2° |
| H183 | C18 | H181 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H193 | C19 | H192 | 109.5° | 109.5° |
| H193 | C19 | H191 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C16 | C17 | O2 | 2.2° | 0.2° |
| O1 | C16 | C17 | C1 | 154.8° | 179.8° |
| O1 | C16 | C15 | C14 | 167.5° | 180.0° |
| O1 | C16 | C15 | C17 | 173.2° | 179.9° |
| C16 | O1 | C21 | H213 | 180.0° | 60.0° |
| C16 | O1 | C21 | H211 | 60.0° | 180.0° |
| C16 | O1 | C21 | H212 | 60.0° | 60.0° |
| O1 | C16 | C15 | H151 | 12.4° | 0.1° |
| C21 | O1 | C16 | C15 | 2.8° | 0.0° |
| C21 | O1 | C16 | C17 | 176.1° | 179.9° |
| O1 | C21 | H213 | H211 | 120.0° | 120.0° |
| O1 | C21 | H213 | H212 | 120.0° | 120.0° |
| O1 | C21 | H211 | H212 | 120.0° | 120.0° |
| O2 | C17 | C1 | C2 | 170.4° | 179.9° |
| O2 | C17 | C1 | C16 | 156.8° | 179.9° |
| O2 | C17 | C16 | C15 | 175.7° | 179.8° |
| O2 | C17 | C1 | H11 | 9.5° | 0.1° |
| C17 | O2 | C18 | H183 | 180.0° | 180.0° |
| C17 | O2 | C18 | H181 | 60.0° | 60.0° |
| C17 | O2 | C18 | H182 | 60.0° | 60.1° |
| C18 | O2 | C17 | C1 | 57.2° | 0.1° |
| C18 | O2 | C17 | C16 | 146.0° | 180.0° |
| O2 | C18 | H183 | H181 | 120.0° | 120.0° |
| O2 | C18 | H183 | H182 | 120.0° | 119.9° |
| O2 | C18 | H181 | H182 | 120.0° | 120.0° |
| O3 | C7 | C8 | O4 | 34.2° | 0.1° |
| O3 | C7 | C6 | C5 | 1.2° | 0.3° |
| O3 | C7 | C6 | C8 | 178.9° | 180.0° |
| O3 | C7 | C6 | C11 | 172.6° | 179.8° |
| O3 | C7 | C8 | C9 | 173.0° | 179.9° |
| C7 | O3 | C19 | H193 | 180.0° | 180.0° |
| C7 | O3 | C19 | H192 | 60.0° | 60.0° |
| C7 | O3 | C19 | H191 | 60.0° | 60.1° |
| C19 | O3 | C7 | C6 | 88.9° | 90.0° |
| C19 | O3 | C7 | C8 | 90.0° | 90.0° |
| O3 | C19 | H193 | H192 | 120.0° | 120.0° |
| O3 | C19 | H193 | H191 | 120.0° | 119.9° |
| O3 | C19 | H192 | H191 | 120.0° | 120.0° |
| O4 | C8 | C7 | C6 | 146.9° | 179.9° |
| O4 | C8 | C7 | C9 | 152.8° | 180.0° |
| O4 | C8 | C9 | C10 | 142.6° | 179.9° |
| C8 | O4 | C20 | H202 | 180.0° | 180.0° |
| C8 | O4 | C20 | H203 | 60.0° | 60.0° |
| C8 | O4 | C20 | H201 | 60.0° | 60.0° |
| O4 | C8 | C9 | H91 | 37.4° | 0.2° |
| C20 | O4 | C8 | C7 | 84.1° | 180.0° |
| C20 | O4 | C8 | C9 | 123.4° | 0.0° |
| O4 | C20 | H202 | H203 | 120.0° | 120.1° |
| O4 | C20 | H202 | H201 | 120.0° | 120.0° |
| O4 | C20 | H203 | H201 | 120.0° | 120.0° |
| C4 | N1 | C5 | C13 | 122.8° | 122.6° |
| C4 | N1 | C5 | C22 | 116.6° | 119.4° |
| C4 | N1 | C13 | C22 | 117.6° | 116.9° |
| N1 | C4 | C3 | C2 | 37.9° | 46.7° |
| N1 | C4 | C3 | H41 | 120.8° | 119.6° |
| N1 | C4 | C3 | H42 | 120.8° | 119.8° |
| C4 | N1 | C5 | C6 | 158.9° | 72.1° |
| C4 | N1 | C13 | C12 | 176.7° | 56.4° |
| C4 | N1 | C13 | C14 | 53.7° | 60.2° |
| C4 | N1 | C22 | H03 | 180.0° | 60.0° |
| C4 | N1 | C22 | H02 | 60.0° | 180.0° |
| C4 | N1 | C22 | H01 | 60.0° | 60.0° |
| N1 | C4 | C3 | H31 | 158.2° | 73.5° |
| N1 | C4 | C3 | H32 | 82.3° | 167.0° |
| N1 | C4 | H41 | H42 | 117.6° | 120.8° |
| C4 | N1 | C5 | H52 | 80.0° | 48.5° |
| C4 | N1 | C5 | H51 | 37.7° | 167.3° |
| C4 | N1 | C13 | H131 | 64.2° | 178.4° |
| C5 | N1 | C13 | C22 | 121.5° | 118.5° |
| C5 | N1 | C4 | C3 | 66.0° | 161.8° |
| N1 | C5 | C6 | H52 | 121.1° | 120.6° |
| N1 | C5 | C6 | H51 | 121.1° | 120.6° |
| N1 | C5 | C6 | C7 | 171.3° | 163.2° |
| N1 | C5 | C6 | C11 | 15.0° | 16.9° |
| C5 | N1 | C13 | C12 | 55.8° | 68.2° |
| C5 | N1 | C13 | C14 | 67.1° | 175.3° |
| C5 | N1 | C22 | H03 | 62.8° | 62.0° |
| C5 | N1 | C22 | H02 | 177.2° | 58.0° |
| C5 | N1 | C22 | H01 | 57.2° | 178.0° |
| C5 | N1 | C4 | H41 | 54.7° | 42.2° |
| C5 | N1 | C4 | H42 | 173.2° | 78.5° |
| N1 | C5 | H52 | H51 | 116.5° | 118.9° |
| C5 | N1 | C13 | H131 | 174.9° | 53.8° |
| N1 | C13 | C14 | C2 | 38.8° | 24.1° |
| C13 | N1 | C4 | C3 | 57.0° | 74.2° |
| C13 | N1 | C5 | C6 | 36.0° | 50.5° |
| N1 | C13 | C12 | C11 | 53.5° | 49.0° |
| N1 | C13 | C12 | C14 | 122.2° | 117.0° |
| N1 | C13 | C12 | H131 | 119.7° | 122.2° |
| N1 | C13 | C14 | H131 | 118.5° | 121.7° |
| N1 | C13 | C14 | C15 | 153.9° | 156.2° |
| C13 | N1 | C22 | H03 | 59.7° | 177.5° |
| C13 | N1 | C22 | H02 | 60.3° | 62.6° |
| C13 | N1 | C22 | H01 | 179.7° | 57.4° |
| C13 | N1 | C4 | H41 | 177.7° | 166.2° |
| C13 | N1 | C4 | H42 | 63.8° | 45.5° |
| C13 | N1 | C5 | H52 | 157.1° | 171.1° |
| C13 | N1 | C5 | H51 | 85.1° | 70.1° |
| N1 | C13 | C12 | H122 | 66.7° | 169.3° |
| N1 | C13 | C12 | H121 | 173.7° | 71.4° |
| C22 | N1 | C4 | C3 | 175.4° | 42.4° |
| C22 | N1 | C5 | C6 | 84.5° | 168.6° |
| C22 | N1 | C13 | C12 | 65.7° | 173.4° |
| C22 | N1 | C13 | C14 | 171.4° | 56.8° |
| N1 | C22 | H03 | H02 | 120.0° | 120.0° |
| N1 | C22 | H03 | H01 | 120.0° | 120.1° |
| N1 | C22 | H02 | H01 | 120.0° | 120.0° |
| C22 | N1 | C4 | H41 | 63.8° | 77.2° |
| C22 | N1 | C4 | H42 | 54.6° | 162.1° |
| C22 | N1 | C5 | H52 | 36.6° | 70.9° |
| C22 | N1 | C5 | H51 | 154.4° | 47.9° |
| C22 | N1 | C13 | H131 | 53.4° | 64.7° |
| C2 | C1 | C17 | H11 | 180.0° | 179.7° |
| C1 | C2 | C3 | C14 | 147.9° | 179.6° |
| C1 | C2 | C3 | C4 | 169.5° | 168.1° |
| C1 | C2 | C14 | C13 | 169.5° | 179.3° |
| C1 | C2 | C14 | C15 | 23.5° | 0.4° |
| C2 | C1 | C17 | C16 | 32.8° | 0.2° |
| C1 | C2 | C3 | H31 | 70.2° | 71.6° |
| C1 | C2 | C3 | H32 | 49.3° | 47.8° |
| C17 | C1 | C2 | C3 | 174.5° | 179.5° |
| C17 | C1 | C2 | C14 | 36.1° | 0.1° |
| C1 | C17 | C16 | C15 | 18.6° | 0.3° |
| C2 | C3 | C4 | H31 | 120.3° | 120.2° |
| C2 | C3 | C4 | H32 | 120.3° | 120.3° |
| C3 | C2 | C14 | C13 | 23.4° | 1.1° |
| C3 | C2 | C14 | C15 | 169.5° | 179.2° |
| C3 | C2 | C1 | H11 | 5.4° | 0.8° |
| C2 | C3 | H31 | H32 | 119.1° | 119.5° |
| C2 | C3 | C4 | H41 | 158.7° | 166.4° |
| C2 | C3 | C4 | H42 | 82.8° | 73.0° |
| C14 | C2 | C3 | C4 | 21.6° | 12.3° |
| C2 | C14 | C13 | C12 | 162.2° | 93.4° |
| C2 | C14 | C13 | C15 | 167.2° | 179.7° |
| C2 | C14 | C15 | C16 | 8.9° | 0.3° |
| C14 | C2 | C1 | H11 | 143.9° | 179.6° |
| C14 | C2 | C3 | H31 | 141.9° | 108.0° |
| C14 | C2 | C3 | H32 | 98.7° | 132.6° |
| C2 | C14 | C13 | H131 | 79.7° | 145.8° |
| C2 | C14 | C15 | H151 | 171.1° | 179.6° |
| C4 | C3 | H31 | H32 | 119.2° | 119.7° |
| C3 | C4 | H41 | H42 | 117.6° | 120.6° |
| C5 | C6 | C7 | C11 | 173.8° | 179.9° |
| C5 | C6 | C7 | C8 | 177.6° | 179.7° |
| C5 | C6 | C11 | C10 | 169.2° | 179.4° |
| C5 | C6 | C11 | C12 | 13.7° | 1.1° |
| C6 | C5 | H52 | H51 | 116.5° | 118.8° |
| C6 | C7 | C8 | C9 | 5.9° | 0.1° |
| C7 | C6 | C11 | C10 | 17.2° | 0.5° |
| C7 | C6 | C11 | C12 | 172.7° | 178.9° |
| C7 | C6 | C5 | H52 | 50.2° | 42.7° |
| C7 | C6 | C5 | H51 | 67.6° | 76.1° |
| C11 | C6 | C7 | C8 | 8.6° | 0.2° |
| C6 | C11 | C10 | C9 | 12.5° | 0.4° |
| C6 | C11 | C10 | C12 | 156.4° | 179.4° |
| C6 | C11 | C12 | C13 | 32.6° | 17.4° |
| C11 | C6 | C5 | H52 | 136.1° | 137.4° |
| C11 | C6 | C5 | H51 | 106.1° | 103.8° |
| C6 | C11 | C10 | H101 | 167.5° | 179.6° |
| C6 | C11 | C12 | H122 | 87.6° | 137.7° |
| C6 | C11 | C12 | H121 | 152.8° | 103.0° |
| C7 | C8 | C9 | C10 | 10.6° | 0.1° |
| C7 | C8 | C9 | H91 | 169.4° | 179.8° |
| C8 | C9 | C10 | H91 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 2.1° | 0.1° |
| C8 | C9 | C10 | H101 | 177.9° | 179.9° |
| C9 | C10 | C11 | H101 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 168.9° | 179.0° |
| C10 | C11 | C12 | C13 | 171.5° | 163.2° |
| C11 | C10 | C9 | H91 | 177.9° | 179.9° |
| C10 | C11 | C12 | H122 | 68.3° | 42.9° |
| C10 | C11 | C12 | H121 | 51.3° | 76.5° |
| C11 | C12 | C13 | H122 | 120.2° | 120.3° |
| C11 | C12 | C13 | H121 | 120.2° | 120.4° |
| C11 | C12 | C13 | C14 | 68.7° | 165.9° |
| C12 | C11 | C10 | H101 | 11.0° | 0.9° |
| C11 | C12 | H122 | H121 | 119.4° | 119.3° |
| C11 | C12 | C13 | H131 | 173.1° | 73.2° |
| C12 | C13 | C14 | H131 | 118.2° | 120.8° |
| C12 | C13 | C14 | C15 | 30.6° | 86.3° |
| C13 | C12 | H122 | H121 | 119.4° | 119.4° |
| C13 | C14 | C15 | C16 | 176.4° | 179.4° |
| C14 | C13 | C12 | H122 | 171.0° | 73.7° |
| C14 | C13 | C12 | H121 | 51.5° | 45.6° |
| C13 | C14 | C15 | H151 | 3.7° | 0.7° |
| C14 | C15 | C16 | H151 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 5.6° | 0.0° |
| C15 | C14 | C13 | H131 | 87.6° | 34.5° |
| C16 | C17 | C1 | H11 | 147.3° | 180.0° |
| C17 | C16 | C15 | H151 | 174.4° | 179.9° |
| H202 | C20 | H203 | H201 | 120.0° | 120.0° |
| H213 | C21 | H211 | H212 | 120.0° | 120.0° |
| H03 | C22 | H02 | H01 | 120.0° | 120.0° |
| H31 | C3 | C4 | H41 | 81.0° | 46.2° |
| H31 | C3 | C4 | H42 | 37.5° | 166.8° |
| H32 | C3 | C4 | H41 | 38.4° | 73.4° |
| H32 | C3 | C4 | H42 | 156.9° | 47.2° |
| H91 | C9 | C10 | H101 | 2.1° | 0.0° |
| H122 | C12 | C13 | H131 | 52.9° | 47.1° |
| H121 | C12 | C13 | H131 | 66.7° | 166.4° |
| H183 | C18 | H181 | H182 | 120.0° | 120.0° |
| H193 | C19 | H192 | H191 | 120.0° | 120.0° |
