A1A0U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | sing | 1.43Å | 1.30Å | |
| C03 | O02 | sing | 1.36Å | 1.38Å | |
| C04 | C03 | doub | 1.38Å | 1.36Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.42Å | 1.40Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.36Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| N12 | C11 | sing | 1.47Å | 1.59Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.57Å | |
| O17 | C16 | sing | 1.43Å | 1.43Å | |
| C18 | C16 | sing | 1.53Å | 1.55Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C13 | N12 | sing | 1.47Å | 1.57Å | |
| C20 | N12 | sing | 1.47Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C10 | C09 | sing | 1.51Å | 1.57Å | |
| N23 | C09 | doub | 1.29Å | 1.32Å | |
| O24 | N23 | sing | 1.42Å | 1.34Å | |
| C25 | O24 | sing | 1.43Å | 1.35Å | |
| C09 | C08 | sing | 1.48Å | 1.44Å | |
| C26 | C08 | sing | 1.41Å | 1.41Å | Aromatic |
| C27 | C26 | doub | 1.36Å | 1.37Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C06 | sing | 1.41Å | 1.41Å | Aromatic |
| C29 | C28 | doub | 1.36Å | 1.36Å | Aromatic |
| C03 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C05 | C27 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C22 | sing | 1.53Å | 1.56Å | |
| C13 | C19 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | 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 | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| O17 | H171 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 120.3° | 117.0° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C01 | H011 | 109.5° | 109.4° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C03 | C04 | 117.1° | 119.6° |
| O02 | C03 | C29 | 120.6° | 119.6° |
| C03 | C04 | C05 | 119.2° | 119.6° |
| C04 | C03 | C29 | 122.2° | 120.7° |
| C03 | C04 | H041 | 120.4° | 120.2° |
| C04 | C05 | C06 | 120.5° | 119.4° |
| C04 | C05 | C27 | 122.1° | 120.9° |
| C05 | C04 | H041 | 120.4° | 120.2° |
| C05 | C06 | C07 | 119.8° | 119.5° |
| C05 | C06 | C28 | 118.4° | 119.5° |
| C06 | C05 | C27 | 117.3° | 119.7° |
| C07 | C08 | C09 | 118.0° | 119.7° |
| C07 | C08 | C26 | 117.9° | 120.6° |
| C08 | C07 | C06 | 122.6° | 119.4° |
| C08 | C07 | H071 | 118.7° | 120.3° |
| C10 | C11 | N12 | 114.0° | 109.5° |
| C11 | C10 | C09 | 118.2° | 109.5° |
| C11 | C10 | C22 | 106.6° | 109.3° |
| C11 | C10 | H101 | 106.3° | 109.5° |
| C10 | C11 | H112 | 108.3° | 109.5° |
| C10 | C11 | H111 | 108.3° | 109.4° |
| C11 | N12 | C13 | 113.5° | 111.0° |
| C11 | N12 | C20 | 110.8° | 111.2° |
| N12 | C11 | H112 | 108.3° | 109.5° |
| N12 | C11 | H111 | 108.3° | 109.4° |
| C13 | C14 | C15 | 108.4° | 109.5° |
| C14 | C13 | N12 | 114.9° | 109.5° |
| C14 | C13 | C19 | 110.2° | 109.4° |
| C14 | C13 | H131 | 108.8° | 109.5° |
| C13 | C14 | H141 | 109.7° | 109.4° |
| C13 | C14 | H142 | 109.7° | 109.5° |
| C14 | C15 | C16 | 111.3° | 109.5° |
| C15 | C14 | H141 | 109.7° | 109.5° |
| C15 | C14 | H142 | 109.7° | 109.5° |
| C14 | C15 | H151 | 109.0° | 109.5° |
| C14 | C15 | H152 | 109.0° | 109.5° |
| C15 | C16 | O17 | 107.9° | 109.4° |
| C15 | C16 | C18 | 110.8° | 109.5° |
| C16 | C15 | H151 | 109.0° | 109.5° |
| C16 | C15 | H152 | 109.0° | 109.5° |
| C15 | C16 | H161 | 108.2° | 109.5° |
| O17 | C16 | C18 | 111.2° | 109.5° |
| O17 | C16 | H161 | 110.1° | 109.4° |
| C16 | O17 | H171 | 109.5° | 114.0° |
| C16 | C18 | C19 | 113.0° | 109.5° |
| C18 | C16 | H161 | 108.5° | 109.5° |
| C16 | C18 | H182 | 108.6° | 109.4° |
| C16 | C18 | H181 | 108.6° | 109.5° |
| C18 | C19 | C13 | 108.7° | 109.5° |
| C19 | C18 | H182 | 108.6° | 109.5° |
| C19 | C18 | H181 | 108.6° | 109.5° |
| C18 | C19 | H191 | 109.7° | 109.5° |
| C18 | C19 | H192 | 109.7° | 109.4° |
| C13 | N12 | C20 | 115.8° | 111.0° |
| N12 | C13 | C19 | 105.1° | 109.5° |
| N12 | C13 | H131 | 108.6° | 109.5° |
| N12 | C20 | C21 | 109.6° | 109.5° |
| N12 | C20 | H201 | 109.4° | 109.5° |
| N12 | C20 | H202 | 109.4° | 109.5° |
| C20 | C21 | C22 | 115.9° | 109.3° |
| C21 | C20 | H201 | 109.4° | 109.4° |
| C21 | C20 | H202 | 109.4° | 109.4° |
| C20 | C21 | H212 | 107.8° | 109.5° |
| C20 | C21 | H211 | 107.8° | 109.5° |
| C21 | C22 | C10 | 113.6° | 109.2° |
| C22 | C21 | H212 | 107.9° | 109.5° |
| C22 | C21 | H211 | 107.9° | 109.5° |
| C21 | C22 | H222 | 108.4° | 109.5° |
| C21 | C22 | H221 | 108.4° | 109.5° |
| C10 | C09 | N23 | 119.7° | 120.0° |
| C10 | C09 | C08 | 118.2° | 120.0° |
| C09 | C10 | C22 | 112.8° | 109.5° |
| C09 | C10 | H101 | 106.1° | 109.5° |
| C09 | N23 | O24 | 119.2° | 120.0° |
| N23 | C09 | C08 | 122.0° | 120.0° |
| N23 | O24 | C25 | 121.4° | 114.0° |
| O24 | C25 | H252 | 109.5° | 109.5° |
| O24 | C25 | H251 | 109.5° | 109.5° |
| O24 | C25 | H253 | 109.4° | 109.5° |
| C09 | C08 | C26 | 124.1° | 119.7° |
| C08 | C26 | C27 | 120.5° | 120.8° |
| C08 | C26 | H261 | 119.7° | 119.6° |
| C26 | C27 | C05 | 121.9° | 120.0° |
| C27 | C26 | H261 | 119.8° | 119.6° |
| C26 | C27 | H271 | 119.1° | 120.0° |
| C07 | C06 | C28 | 121.8° | 120.9° |
| C06 | C07 | H071 | 118.7° | 120.3° |
| C06 | C28 | C29 | 121.6° | 119.9° |
| C06 | C28 | H281 | 119.2° | 120.0° |
| C28 | C29 | C03 | 118.1° | 120.9° |
| C29 | C28 | H281 | 119.2° | 120.1° |
| C28 | C29 | H291 | 121.0° | 119.5° |
| C03 | C29 | H291 | 121.0° | 119.6° |
| C05 | C27 | H271 | 119.1° | 120.0° |
| C22 | C10 | H101 | 106.2° | 109.5° |
| C10 | C22 | H222 | 108.4° | 109.5° |
| C10 | C22 | H221 | 108.4° | 109.5° |
| C19 | C13 | H131 | 109.0° | 109.5° |
| C13 | C19 | H191 | 109.6° | 109.5° |
| C13 | C19 | H192 | 109.7° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.4° | 109.6° |
| H222 | C22 | H221 | 109.5° | 109.6° |
| H252 | C25 | H251 | 109.4° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 73.0° | 179.7° |
| C01 | O02 | C03 | C29 | 110.4° | 0.0° |
| O02 | C01 | H012 | H011 | 120.0° | 119.9° |
| O02 | C01 | H012 | H013 | 120.0° | 120.0° |
| O02 | C01 | H011 | H013 | 120.0° | 120.0° |
| O02 | C03 | C04 | C29 | 176.5° | 179.8° |
| O02 | C03 | C04 | C05 | 177.1° | 180.0° |
| O02 | C03 | C29 | C28 | 176.7° | 179.7° |
| C03 | O02 | C01 | H012 | 180.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 60.0° |
| C03 | O02 | C01 | H013 | 60.0° | 180.0° |
| O02 | C03 | C04 | H041 | 2.9° | 0.0° |
| O02 | C03 | C29 | H291 | 3.3° | 0.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.6° | 0.0° |
| C04 | C03 | C29 | C28 | 0.3° | 0.5° |
| C03 | C04 | C05 | C27 | 179.5° | 180.0° |
| C04 | C03 | C29 | H291 | 179.7° | 179.7° |
| C04 | C05 | C06 | C27 | 179.9° | 180.0° |
| C04 | C05 | C27 | C26 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 179.5° | 180.0° |
| C04 | C05 | C06 | C28 | 0.4° | 0.0° |
| C05 | C04 | C03 | C29 | 0.6° | 0.2° |
| C04 | C05 | C27 | H271 | 0.0° | 0.0° |
| C05 | C06 | C07 | C08 | 1.4° | 0.0° |
| C06 | C05 | C27 | C26 | 0.1° | 0.1° |
| C05 | C06 | C07 | C28 | 179.1° | 180.0° |
| C05 | C06 | C28 | C29 | 0.1° | 0.3° |
| C06 | C05 | C04 | H041 | 179.3° | 180.0° |
| C05 | C06 | C07 | H071 | 178.5° | 180.0° |
| C06 | C05 | C27 | H271 | 179.9° | 180.0° |
| C05 | C06 | C28 | H281 | 179.9° | 180.0° |
| C07 | C08 | C09 | C10 | 39.1° | 174.5° |
| C07 | C08 | C09 | N23 | 140.7° | 5.4° |
| C07 | C08 | C09 | C26 | 177.7° | 180.0° |
| C07 | C08 | C26 | C27 | 1.1° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C08 | C07 | C06 | C28 | 179.5° | 180.0° |
| C07 | C08 | C26 | H261 | 178.9° | 180.0° |
| C10 | C11 | N12 | H112 | 120.7° | 120.1° |
| C10 | C11 | N12 | H111 | 120.7° | 120.0° |
| C10 | C11 | N12 | C13 | 165.2° | 174.2° |
| C10 | C11 | N12 | C20 | 62.6° | 61.7° |
| C11 | C10 | C22 | C21 | 6.6° | 57.6° |
| C11 | C10 | C09 | C22 | 125.2° | 119.9° |
| C11 | C10 | C09 | H101 | 119.0° | 120.0° |
| C11 | C10 | C09 | N23 | 42.0° | 115.6° |
| C11 | C10 | C09 | C08 | 138.2° | 64.4° |
| C11 | C10 | C22 | H101 | 113.0° | 119.9° |
| C10 | C11 | H112 | H111 | 117.9° | 120.0° |
| C11 | C10 | C22 | H222 | 114.0° | 62.2° |
| C11 | C10 | C22 | H221 | 127.2° | 177.5° |
| C11 | N12 | C13 | C14 | 65.7° | 70.3° |
| C11 | N12 | C13 | C20 | 129.7° | 124.2° |
| C11 | N12 | C20 | C21 | 11.1° | 61.8° |
| N12 | C11 | C10 | C09 | 178.3° | 179.1° |
| N12 | C11 | C10 | C22 | 50.0° | 59.1° |
| C11 | N12 | C13 | C19 | 55.6° | 169.8° |
| N12 | C11 | C10 | H101 | 62.9° | 60.8° |
| C11 | N12 | C13 | H131 | 172.2° | 49.7° |
| N12 | C11 | H112 | H111 | 117.9° | 120.0° |
| C11 | N12 | C20 | H201 | 131.1° | 58.2° |
| C11 | N12 | C20 | H202 | 108.9° | 178.3° |
| C13 | C14 | C15 | H141 | 119.8° | 120.0° |
| C13 | C14 | C15 | H142 | 119.8° | 120.0° |
| C13 | C14 | C15 | C16 | 58.1° | 60.0° |
| C14 | C13 | C19 | C18 | 62.0° | 60.0° |
| C14 | C13 | N12 | C19 | 121.3° | 119.9° |
| C14 | C13 | N12 | H131 | 122.1° | 120.0° |
| C14 | C13 | N12 | C20 | 164.6° | 53.9° |
| C14 | C13 | C19 | H131 | 119.4° | 120.0° |
| C13 | C14 | H141 | H142 | 120.5° | 120.0° |
| C13 | C14 | C15 | H151 | 62.1° | 60.0° |
| C13 | C14 | C15 | H152 | 178.4° | 180.0° |
| C14 | C13 | C19 | H191 | 178.1° | 60.0° |
| C14 | C13 | C19 | H192 | 57.9° | 180.0° |
| C14 | C15 | C16 | H151 | 120.3° | 120.0° |
| C14 | C15 | C16 | H152 | 120.3° | 120.1° |
| C14 | C15 | C16 | O17 | 69.5° | 60.0° |
| C14 | C15 | C16 | C18 | 52.4° | 60.0° |
| C15 | C14 | C13 | N12 | 177.8° | 180.0° |
| C15 | C14 | C13 | C19 | 63.6° | 60.0° |
| C15 | C14 | C13 | H131 | 55.9° | 60.0° |
| C15 | C14 | H141 | H142 | 120.5° | 120.0° |
| C14 | C15 | H151 | H152 | 119.2° | 120.0° |
| C14 | C15 | C16 | H161 | 171.3° | 180.0° |
| C15 | C16 | O17 | C18 | 121.7° | 120.0° |
| C15 | C16 | O17 | H161 | 118.0° | 120.0° |
| C15 | C16 | C18 | H161 | 118.7° | 120.1° |
| C15 | C16 | C18 | C19 | 51.6° | 60.0° |
| C16 | C15 | C14 | H141 | 178.0° | 180.0° |
| C16 | C15 | C14 | H142 | 61.7° | 60.0° |
| C16 | C15 | H151 | H152 | 119.1° | 120.0° |
| C15 | C16 | C18 | H182 | 68.9° | 60.0° |
| C15 | C16 | C18 | H181 | 172.1° | 180.0° |
| C15 | C16 | O17 | H171 | 180.0° | 180.0° |
| O17 | C16 | C18 | H161 | 121.3° | 120.0° |
| O17 | C16 | C18 | C19 | 68.4° | 60.0° |
| O17 | C16 | C15 | H151 | 170.2° | 180.0° |
| O17 | C16 | C15 | H152 | 50.8° | 60.0° |
| O17 | C16 | C18 | H182 | 171.1° | 180.0° |
| O17 | C16 | C18 | H181 | 52.1° | 60.0° |
| C16 | C18 | C19 | H182 | 120.5° | 120.0° |
| C16 | C18 | C19 | H181 | 120.5° | 120.1° |
| C16 | C18 | C19 | C13 | 56.3° | 60.0° |
| C18 | C16 | C15 | H151 | 67.8° | 60.0° |
| C18 | C16 | C15 | H152 | 172.7° | 180.0° |
| C16 | C18 | H182 | H181 | 118.4° | 120.0° |
| C16 | C18 | C19 | H191 | 176.2° | 60.1° |
| C16 | C18 | C19 | H192 | 63.6° | 180.0° |
| C18 | C16 | O17 | H171 | 58.3° | 60.0° |
| C18 | C19 | C13 | N12 | 173.6° | 180.0° |
| C18 | C19 | C13 | H191 | 119.9° | 120.1° |
| C18 | C19 | C13 | H192 | 119.9° | 120.0° |
| C18 | C19 | C13 | H131 | 57.4° | 60.0° |
| C19 | C18 | C16 | H161 | 170.3° | 180.0° |
| C19 | C18 | H182 | H181 | 118.4° | 120.0° |
| C18 | C19 | H191 | H192 | 120.4° | 120.0° |
| C13 | N12 | C20 | C21 | 142.1° | 174.2° |
| N12 | C13 | C19 | H131 | 116.2° | 120.0° |
| C13 | N12 | C11 | H112 | 44.6° | 54.1° |
| C13 | N12 | C11 | H111 | 74.1° | 65.8° |
| N12 | C13 | C14 | H141 | 58.0° | 60.0° |
| N12 | C13 | C14 | H142 | 62.3° | 60.0° |
| N12 | C13 | C19 | H191 | 53.7° | 59.9° |
| N12 | C13 | C19 | H192 | 66.5° | 60.0° |
| C13 | N12 | C20 | H201 | 97.9° | 65.9° |
| C13 | N12 | C20 | H202 | 22.1° | 54.2° |
| N12 | C20 | C21 | H201 | 120.0° | 120.0° |
| N12 | C20 | C21 | H202 | 120.0° | 120.0° |
| N12 | C20 | C21 | C22 | 45.9° | 59.2° |
| C20 | N12 | C13 | C19 | 74.1° | 66.0° |
| C20 | N12 | C13 | H131 | 42.4° | 174.0° |
| C20 | N12 | C11 | H112 | 176.8° | 178.2° |
| C20 | N12 | C11 | H111 | 58.1° | 58.2° |
| N12 | C20 | H201 | H202 | 119.9° | 120.1° |
| N12 | C20 | C21 | H212 | 166.8° | 60.7° |
| N12 | C20 | C21 | H211 | 75.1° | 179.1° |
| C20 | C21 | C22 | H212 | 120.9° | 119.9° |
| C20 | C21 | C22 | H211 | 120.9° | 119.9° |
| C20 | C21 | C22 | C10 | 58.3° | 57.6° |
| C21 | C20 | H201 | H202 | 120.0° | 120.0° |
| C20 | C21 | H212 | H211 | 117.1° | 120.1° |
| C20 | C21 | C22 | H222 | 62.3° | 62.2° |
| C20 | C21 | C22 | H221 | 178.9° | 177.5° |
| C21 | C22 | C10 | C09 | 124.6° | 177.6° |
| C21 | C22 | C10 | H222 | 120.6° | 119.9° |
| C21 | C22 | C10 | H221 | 120.6° | 119.9° |
| C21 | C22 | C10 | H101 | 119.6° | 62.3° |
| C22 | C21 | C20 | H201 | 74.1° | 60.8° |
| C22 | C21 | C20 | H202 | 165.8° | 179.2° |
| C22 | C21 | H212 | H211 | 117.1° | 120.1° |
| C21 | C22 | H222 | H221 | 118.1° | 120.2° |
| C10 | C09 | N23 | C08 | 179.8° | 180.0° |
| C10 | C09 | N23 | O24 | 1.8° | 5.0° |
| C10 | C09 | C08 | C26 | 143.2° | 5.5° |
| C09 | C10 | C22 | H101 | 115.8° | 120.1° |
| C09 | C10 | C11 | H112 | 61.1° | 60.8° |
| C09 | C10 | C11 | H111 | 57.6° | 59.2° |
| C09 | C10 | C22 | H222 | 114.8° | 57.7° |
| C09 | C10 | C22 | H221 | 4.0° | 62.5° |
| C09 | N23 | O24 | C25 | 154.3° | 180.0° |
| N23 | C09 | C08 | C26 | 37.0° | 174.5° |
| N23 | C09 | C10 | C22 | 83.2° | 124.5° |
| N23 | C09 | C10 | H101 | 161.0° | 4.4° |
| O24 | N23 | C09 | C08 | 178.0° | 175.0° |
| N23 | O24 | C25 | H252 | 180.0° | 60.0° |
| N23 | O24 | C25 | H251 | 60.0° | 180.0° |
| N23 | O24 | C25 | H253 | 60.0° | 60.1° |
| O24 | C25 | H252 | H251 | 120.0° | 120.0° |
| O24 | C25 | H252 | H253 | 120.0° | 120.0° |
| O24 | C25 | H251 | H253 | 120.0° | 119.9° |
| C09 | C08 | C26 | C27 | 178.7° | 179.9° |
| C09 | C08 | C07 | C06 | 179.5° | 180.0° |
| C08 | C09 | C10 | C22 | 96.6° | 55.5° |
| C08 | C09 | C10 | H101 | 19.2° | 175.5° |
| C09 | C08 | C07 | H071 | 0.5° | 0.1° |
| C09 | C08 | C26 | H261 | 1.2° | 0.0° |
| C08 | C26 | C27 | H261 | 180.0° | 179.9° |
| C26 | C08 | C07 | C06 | 1.6° | 0.0° |
| C08 | C26 | C27 | C05 | 0.3° | 0.1° |
| C26 | C08 | C07 | H071 | 178.4° | 179.9° |
| C08 | C26 | C27 | H271 | 179.7° | 180.0° |
| C26 | C27 | C05 | H271 | 180.0° | 179.9° |
| C07 | C06 | C28 | C29 | 179.2° | 179.7° |
| C07 | C06 | C05 | C27 | 0.6° | 0.0° |
| C07 | C06 | C28 | H281 | 0.8° | 0.0° |
| C06 | C28 | C29 | H281 | 180.0° | 179.7° |
| C06 | C28 | C29 | C03 | 0.1° | 0.5° |
| C28 | C06 | C05 | C27 | 179.8° | 179.9° |
| C28 | C06 | C07 | H071 | 0.6° | 0.1° |
| C06 | C28 | C29 | H291 | 179.9° | 179.7° |
| C28 | C29 | C03 | H291 | 180.0° | 179.7° |
| C29 | C03 | C04 | H041 | 179.4° | 179.8° |
| C03 | C29 | C28 | H281 | 179.9° | 179.7° |
| C27 | C05 | C04 | H041 | 0.5° | 0.0° |
| C05 | C27 | C26 | H261 | 179.7° | 180.0° |
| C22 | C10 | C11 | H112 | 170.7° | 179.2° |
| C22 | C10 | C11 | H111 | 70.6° | 60.8° |
| C10 | C22 | C21 | H212 | 179.2° | 62.3° |
| C10 | C22 | C21 | H211 | 62.7° | 177.6° |
| C10 | C22 | H222 | H221 | 118.1° | 120.2° |
| C19 | C13 | C14 | H141 | 176.5° | 180.0° |
| C19 | C13 | C14 | H142 | 56.2° | 60.0° |
| C13 | C19 | C18 | H182 | 64.2° | 60.0° |
| C13 | C19 | C18 | H181 | 176.8° | 179.9° |
| C13 | C19 | H191 | H192 | 120.4° | 120.0° |
| H101 | C10 | C11 | H112 | 57.8° | 59.2° |
| H101 | C10 | C11 | H111 | 176.5° | 179.2° |
| H101 | C10 | C22 | H222 | 1.0° | 177.8° |
| H101 | C10 | C22 | H221 | 119.8° | 57.6° |
| H131 | C13 | C14 | H141 | 64.0° | 60.0° |
| H131 | C13 | C14 | H142 | 175.7° | 180.0° |
| H131 | C13 | C19 | H191 | 62.5° | 179.9° |
| H131 | C13 | C19 | H192 | 177.3° | 60.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.1° |
| H141 | C14 | C15 | H151 | 57.7° | 60.0° |
| H141 | C14 | C15 | H152 | 61.7° | 60.0° |
| H142 | C14 | C15 | H151 | 178.0° | 180.0° |
| H142 | C14 | C15 | H152 | 58.6° | 60.0° |
| H151 | C15 | C16 | H161 | 51.0° | 60.0° |
| H152 | C15 | C16 | H161 | 68.4° | 59.9° |
| H161 | C16 | C18 | H182 | 49.8° | 60.0° |
| H161 | C16 | C18 | H181 | 69.2° | 60.0° |
| H161 | C16 | O17 | H171 | 62.0° | 60.0° |
| H182 | C18 | C19 | H191 | 55.6° | 180.0° |
| H182 | C18 | C19 | H192 | 175.9° | 60.0° |
| H181 | C18 | C19 | H191 | 63.3° | 60.0° |
| H181 | C18 | C19 | H192 | 57.0° | 60.0° |
| H201 | C20 | C21 | H212 | 46.8° | 179.3° |
| H201 | C20 | C21 | H211 | 164.9° | 59.2° |
| H202 | C20 | C21 | H212 | 73.2° | 59.3° |
| H202 | C20 | C21 | H211 | 44.9° | 60.9° |
| H212 | C21 | C22 | H222 | 58.6° | 177.9° |
| H212 | C21 | C22 | H221 | 60.2° | 57.6° |
| H211 | C21 | C22 | H222 | 176.7° | 57.7° |
| H211 | C21 | C22 | H221 | 57.9° | 62.5° |
| H252 | C25 | H251 | H253 | 120.0° | 120.0° |
| H261 | C26 | C27 | H271 | 0.4° | 0.1° |
| H281 | C28 | C29 | H291 | 0.1° | 0.0° |
