A1DKB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C07 | sing | 1.48Å | 1.54Å | |
| C07 | O08 | doub | 1.22Å | 1.19Å | |
| C07 | N09 | sing | 1.35Å | 1.46Å | |
| N09 | O10 | sing | 1.42Å | 1.41Å | |
| C02 | F11 | sing | 1.35Å | 1.34Å | |
| C01 | C12 | sing | 1.51Å | 1.55Å | |
| C12 | N13 | sing | 1.47Å | 1.48Å | |
| N13 | C14 | sing | 1.47Å | 1.26Å | |
| C14 | N15 | sing | 1.48Å | 1.67Å | |
| N15 | C16 | sing | 1.48Å | 1.22Å | |
| C16 | C17 | sing | 1.51Å | 1.63Å | |
| C17 | N13 | sing | 1.35Å | 1.56Å | |
| C16 | C18 | sing | 1.53Å | 1.44Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | N20 | sing | 1.47Å | 1.45Å | |
| N20 | C21 | sing | 1.47Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.47Å | |
| C22 | C16 | sing | 1.53Å | 1.46Å | |
| N15 | C23 | sing | 1.40Å | 1.48Å | |
| C17 | O24 | doub | 1.21Å | 1.18Å | |
| N20 | C25 | sing | 1.47Å | 1.24Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | N30 | sing | 1.32Å | 1.33Å | Aromatic |
| N30 | C31 | doub | 1.32Å | 1.33Å | Aromatic |
| C31 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | 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 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| O10 | H101 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 120.0° | 120.0° |
| C02 | C01 | C06 | 119.1° | 120.3° |
| C01 | C02 | F11 | 121.2° | 120.0° |
| C02 | C01 | C12 | 124.4° | 119.8° |
| C02 | C03 | C04 | 120.4° | 119.8° |
| C03 | C02 | F11 | 118.8° | 120.0° |
| C02 | C03 | H031 | 119.8° | 120.1° |
| C03 | C04 | C05 | 119.8° | 119.7° |
| C03 | C04 | C07 | 121.7° | 120.1° |
| C04 | C03 | H031 | 119.8° | 120.1° |
| C04 | C05 | C06 | 120.1° | 119.9° |
| C05 | C04 | C07 | 118.6° | 120.1° |
| C04 | C05 | H051 | 119.9° | 120.1° |
| C05 | C06 | C01 | 120.7° | 120.2° |
| C06 | C05 | H051 | 119.9° | 120.0° |
| C05 | C06 | H061 | 119.7° | 119.9° |
| C06 | C01 | C12 | 116.4° | 119.9° |
| C01 | C06 | H061 | 119.7° | 119.9° |
| C04 | C07 | O08 | 120.5° | 120.0° |
| C04 | C07 | N09 | 119.7° | 120.0° |
| O08 | C07 | N09 | 119.7° | 120.0° |
| C07 | N09 | O10 | 120.3° | 120.0° |
| C07 | N09 | H091 | 119.9° | 120.0° |
| O10 | N09 | H091 | 119.8° | 120.0° |
| N09 | O10 | H101 | 109.5° | 114.0° |
| C01 | C12 | N13 | 123.3° | 109.4° |
| C01 | C12 | H121 | 105.9° | 109.5° |
| C01 | C12 | H122 | 105.9° | 109.5° |
| C12 | N13 | C14 | 127.2° | 125.2° |
| C12 | N13 | C17 | 127.8° | 125.3° |
| N13 | C12 | H121 | 105.9° | 109.4° |
| N13 | C12 | H122 | 105.9° | 109.5° |
| N13 | C14 | N15 | 106.5° | 106.2° |
| C14 | N13 | C17 | 104.8° | 109.5° |
| N13 | C14 | H142 | 110.2° | 110.1° |
| N13 | C14 | H141 | 110.2° | 110.2° |
| C14 | N15 | C16 | 107.2° | 103.1° |
| C14 | N15 | C23 | 121.3° | 111.0° |
| N15 | C14 | H142 | 110.2° | 110.1° |
| N15 | C14 | H141 | 110.2° | 110.2° |
| N15 | C16 | C17 | 99.7° | 105.3° |
| N15 | C16 | C18 | 108.4° | 110.1° |
| N15 | C16 | C22 | 124.8° | 110.2° |
| C16 | N15 | C23 | 129.3° | 111.0° |
| C16 | C17 | N13 | 105.5° | 108.4° |
| C17 | C16 | C18 | 132.3° | 110.4° |
| C17 | C16 | C22 | 90.5° | 110.4° |
| C16 | C17 | O24 | 131.6° | 125.8° |
| N13 | C17 | O24 | 122.8° | 125.8° |
| C16 | C18 | C19 | 107.7° | 109.3° |
| C18 | C16 | C22 | 103.1° | 110.4° |
| C16 | C18 | H182 | 109.9° | 109.5° |
| C16 | C18 | H181 | 109.9° | 109.5° |
| C18 | C19 | N20 | 115.6° | 109.5° |
| C19 | C18 | H182 | 109.9° | 109.5° |
| C19 | C18 | H181 | 109.9° | 109.5° |
| C18 | C19 | H192 | 107.9° | 109.5° |
| C18 | C19 | H191 | 107.9° | 109.5° |
| C19 | N20 | C21 | 117.6° | 111.3° |
| C19 | N20 | C25 | 105.1° | 111.0° |
| N20 | C19 | H192 | 107.9° | 109.5° |
| N20 | C19 | H191 | 107.9° | 109.5° |
| N20 | C21 | C22 | 110.7° | 109.5° |
| C21 | N20 | C25 | 108.7° | 111.0° |
| N20 | C21 | H212 | 109.2° | 109.5° |
| N20 | C21 | H211 | 109.2° | 109.4° |
| C21 | C22 | C16 | 117.6° | 109.3° |
| C22 | C21 | H212 | 109.2° | 109.5° |
| C22 | C21 | H211 | 109.2° | 109.5° |
| C21 | C22 | H222 | 107.4° | 109.5° |
| C21 | C22 | H221 | 107.4° | 109.5° |
| C16 | C22 | H222 | 107.4° | 109.5° |
| C16 | C22 | H221 | 107.4° | 109.5° |
| N15 | C23 | C32 | 119.4° | 120.1° |
| N15 | C23 | C36 | 120.0° | 120.1° |
| N20 | C25 | C26 | 118.5° | 109.5° |
| N20 | C25 | H251 | 107.2° | 109.5° |
| N20 | C25 | H252 | 107.2° | 109.5° |
| C25 | C26 | C27 | 119.3° | 120.4° |
| C25 | C26 | C31 | 120.0° | 120.4° |
| C26 | C25 | H251 | 107.2° | 109.5° |
| C26 | C25 | H252 | 107.2° | 109.5° |
| C26 | C27 | C28 | 116.4° | 118.5° |
| C27 | C26 | C31 | 120.6° | 119.1° |
| C26 | C27 | H271 | 121.8° | 120.8° |
| C27 | C28 | C29 | 120.4° | 119.1° |
| C28 | C27 | H271 | 121.8° | 120.8° |
| C27 | C28 | H281 | 119.8° | 120.4° |
| C28 | C29 | N30 | 122.3° | 120.8° |
| C29 | C28 | H281 | 119.8° | 120.4° |
| C28 | C29 | H291 | 118.8° | 119.6° |
| C29 | N30 | C31 | 118.8° | 121.7° |
| N30 | C29 | H291 | 118.8° | 119.5° |
| N30 | C31 | C26 | 121.4° | 120.8° |
| N30 | C31 | H311 | 119.3° | 119.6° |
| C26 | C31 | H311 | 119.3° | 119.6° |
| C23 | C32 | C33 | 119.5° | 120.0° |
| C32 | C23 | C36 | 120.6° | 119.8° |
| C23 | C32 | H321 | 120.2° | 120.1° |
| C32 | C33 | C34 | 120.2° | 120.0° |
| C33 | C32 | H321 | 120.2° | 120.0° |
| C32 | C33 | H331 | 119.9° | 120.0° |
| C33 | C34 | C35 | 119.7° | 120.1° |
| C34 | C33 | H331 | 119.9° | 119.9° |
| C33 | C34 | H341 | 120.2° | 119.9° |
| C34 | C35 | C36 | 119.9° | 120.1° |
| C35 | C34 | H341 | 120.1° | 120.0° |
| C34 | C35 | H351 | 120.1° | 119.9° |
| C35 | C36 | C23 | 120.1° | 119.9° |
| C36 | C35 | H351 | 120.1° | 120.0° |
| C35 | C36 | H361 | 120.0° | 120.1° |
| C23 | C36 | H361 | 120.0° | 120.0° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 110.1° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | F11 | 178.2° | 180.0° |
| C01 | C02 | C03 | C04 | 1.4° | 0.0° |
| C02 | C01 | C06 | C05 | 2.7° | 0.5° |
| C02 | C01 | C06 | C12 | 175.3° | 179.7° |
| C02 | C01 | C12 | N13 | 58.9° | 80.0° |
| C02 | C01 | C12 | H121 | 179.2° | 160.0° |
| C02 | C01 | C12 | H122 | 63.0° | 40.0° |
| C01 | C02 | C03 | H031 | 178.6° | 180.0° |
| C02 | C01 | C06 | H061 | 177.3° | 180.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C03 | C02 | C01 | C06 | 2.7° | 0.3° |
| C02 | C03 | C04 | C07 | 179.4° | 180.0° |
| C03 | C02 | C01 | C12 | 177.6° | 180.0° |
| C03 | C04 | C05 | C07 | 179.4° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.3° |
| C03 | C04 | C07 | O08 | 150.7° | 0.0° |
| C03 | C04 | C07 | N09 | 33.2° | 180.0° |
| C04 | C03 | C02 | F11 | 179.6° | 180.0° |
| C03 | C04 | C05 | H051 | 179.9° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.7° |
| C04 | C05 | C06 | C01 | 1.2° | 0.5° |
| C05 | C04 | C07 | O08 | 29.9° | 179.9° |
| C05 | C04 | C07 | N09 | 146.2° | 0.0° |
| C05 | C04 | C03 | H031 | 179.9° | 179.9° |
| C04 | C05 | C06 | H061 | 178.8° | 180.0° |
| C05 | C06 | C01 | H061 | 180.0° | 179.5° |
| C06 | C05 | C04 | C07 | 179.5° | 179.8° |
| C05 | C06 | C01 | C12 | 177.9° | 179.8° |
| C06 | C01 | C02 | F11 | 179.1° | 179.8° |
| C06 | C01 | C12 | N13 | 126.1° | 100.2° |
| C06 | C01 | C12 | H121 | 4.2° | 19.7° |
| C06 | C01 | C12 | H122 | 112.0° | 139.8° |
| C01 | C06 | C05 | H051 | 178.8° | 179.7° |
| C04 | C07 | O08 | N09 | 176.1° | 180.0° |
| C04 | C07 | N09 | O10 | 178.6° | 180.0° |
| C07 | C04 | C03 | H031 | 0.6° | 0.0° |
| C07 | C04 | C05 | H051 | 0.5° | 0.0° |
| C04 | C07 | N09 | H091 | 1.4° | 0.0° |
| O08 | C07 | N09 | O10 | 2.5° | 0.1° |
| O08 | C07 | N09 | H091 | 177.5° | 180.0° |
| C07 | N09 | O10 | H091 | 180.0° | 179.9° |
| C07 | N09 | O10 | H101 | 1.1° | 180.0° |
| F11 | C02 | C01 | C12 | 4.3° | 0.0° |
| F11 | C02 | C03 | H031 | 0.4° | 0.0° |
| C01 | C12 | N13 | H121 | 121.9° | 120.0° |
| C01 | C12 | N13 | H122 | 121.9° | 120.0° |
| C01 | C12 | N13 | C14 | 89.7° | 90.0° |
| C01 | C12 | N13 | C17 | 97.0° | 90.0° |
| C01 | C12 | H121 | H122 | 113.8° | 120.0° |
| C12 | C01 | C06 | H061 | 2.1° | 0.2° |
| C12 | N13 | C14 | C17 | 174.5° | 180.0° |
| C12 | N13 | C14 | N15 | 156.1° | 162.5° |
| C12 | N13 | C17 | C16 | 176.1° | 179.3° |
| C12 | N13 | C17 | O24 | 1.3° | 0.6° |
| N13 | C12 | H121 | H122 | 113.8° | 120.0° |
| C12 | N13 | C14 | H142 | 36.5° | 43.4° |
| C12 | N13 | C14 | H141 | 84.4° | 78.2° |
| N13 | C14 | N15 | H142 | 119.6° | 119.1° |
| N13 | C14 | N15 | H141 | 119.5° | 119.3° |
| N13 | C14 | N15 | C16 | 41.8° | 26.6° |
| C14 | N13 | C17 | C16 | 1.7° | 0.7° |
| N13 | C14 | N15 | C23 | 153.6° | 145.5° |
| C14 | N13 | C17 | O24 | 175.7° | 179.3° |
| C14 | N13 | C12 | H121 | 148.4° | 150.0° |
| C14 | N13 | C12 | H122 | 32.2° | 30.0° |
| N13 | C14 | H142 | H141 | 121.4° | 121.6° |
| C14 | N15 | C16 | C23 | 162.9° | 118.9° |
| C14 | N15 | C16 | C17 | 37.6° | 25.9° |
| N15 | C14 | N13 | C17 | 18.4° | 17.5° |
| C14 | N15 | C16 | C18 | 178.6° | 144.9° |
| C14 | N15 | C16 | C22 | 59.8° | 93.1° |
| C14 | N15 | C23 | C32 | 86.5° | 172.9° |
| C14 | N15 | C23 | C36 | 94.6° | 7.4° |
| N15 | C14 | H142 | H141 | 121.3° | 121.7° |
| N15 | C16 | C17 | C18 | 126.1° | 118.8° |
| N15 | C16 | C17 | C22 | 125.5° | 118.9° |
| N15 | C16 | C17 | N13 | 28.0° | 16.3° |
| N15 | C16 | C18 | C22 | 134.1° | 121.8° |
| N15 | C16 | C18 | C19 | 160.8° | 178.3° |
| N15 | C16 | C22 | C21 | 169.8° | 178.2° |
| N15 | C16 | C17 | O24 | 149.1° | 163.6° |
| C16 | N15 | C23 | C32 | 112.7° | 58.9° |
| C16 | N15 | C23 | C36 | 66.2° | 121.4° |
| C16 | N15 | C14 | H142 | 161.4° | 145.7° |
| C16 | N15 | C14 | H141 | 77.7° | 92.7° |
| N15 | C16 | C18 | H182 | 41.1° | 61.8° |
| N15 | C16 | C18 | H181 | 79.5° | 58.3° |
| N15 | C16 | C22 | H222 | 48.6° | 58.3° |
| N15 | C16 | C22 | H221 | 69.1° | 61.7° |
| C16 | C17 | N13 | O24 | 177.4° | 180.0° |
| C17 | C16 | C18 | C22 | 102.9° | 122.4° |
| C17 | C16 | C18 | C19 | 37.8° | 65.9° |
| C17 | C16 | C22 | C21 | 67.5° | 65.9° |
| C17 | C16 | N15 | C23 | 159.5° | 144.8° |
| C17 | C16 | C18 | H182 | 81.9° | 54.0° |
| C17 | C16 | C18 | H181 | 157.5° | 174.2° |
| C17 | C16 | C22 | H222 | 53.6° | 174.1° |
| C17 | C16 | C22 | H221 | 171.3° | 54.1° |
| N13 | C17 | C16 | C18 | 154.2° | 135.1° |
| N13 | C17 | C16 | C22 | 97.5° | 102.5° |
| C17 | N13 | C12 | H121 | 24.9° | 30.0° |
| C17 | N13 | C12 | H122 | 141.1° | 150.0° |
| C17 | N13 | C14 | H142 | 138.0° | 136.6° |
| C17 | N13 | C14 | H141 | 101.1° | 101.8° |
| C16 | C18 | C19 | H182 | 119.7° | 119.9° |
| C16 | C18 | C19 | H181 | 119.7° | 119.9° |
| C16 | C18 | C19 | N20 | 54.6° | 58.4° |
| C18 | C16 | C22 | C21 | 66.4° | 56.4° |
| C18 | C16 | N15 | C23 | 18.5° | 96.2° |
| C18 | C16 | C17 | O24 | 22.9° | 44.8° |
| C16 | C18 | H182 | H181 | 120.9° | 120.1° |
| C16 | C18 | C19 | H192 | 66.3° | 61.6° |
| C16 | C18 | C19 | H191 | 175.5° | 178.4° |
| C18 | C16 | C22 | H222 | 172.5° | 63.5° |
| C18 | C16 | C22 | H221 | 54.8° | 176.5° |
| C18 | C19 | N20 | H192 | 120.9° | 120.0° |
| C18 | C19 | N20 | H191 | 120.9° | 120.0° |
| C18 | C19 | N20 | C21 | 35.1° | 62.1° |
| C19 | C18 | C16 | C22 | 65.1° | 56.5° |
| C18 | C19 | N20 | C25 | 156.2° | 173.7° |
| C19 | C18 | H182 | H181 | 120.8° | 120.1° |
| C18 | C19 | H192 | H191 | 117.2° | 120.0° |
| C19 | N20 | C21 | C25 | 119.2° | 124.2° |
| C19 | N20 | C21 | C22 | 28.7° | 62.1° |
| C19 | N20 | C25 | C26 | 130.6° | 170.0° |
| N20 | C19 | C18 | H182 | 174.3° | 178.3° |
| N20 | C19 | C18 | H181 | 65.1° | 61.5° |
| N20 | C19 | H192 | H191 | 117.2° | 120.0° |
| C19 | N20 | C21 | H212 | 91.5° | 177.9° |
| C19 | N20 | C21 | H211 | 148.9° | 57.9° |
| C19 | N20 | C25 | H251 | 108.1° | 50.0° |
| C19 | N20 | C25 | H252 | 9.3° | 70.0° |
| N20 | C21 | C22 | H212 | 120.2° | 120.0° |
| N20 | C21 | C22 | H211 | 120.2° | 120.0° |
| N20 | C21 | C22 | C16 | 46.6° | 58.3° |
| C21 | N20 | C25 | C26 | 102.7° | 65.6° |
| C21 | N20 | C19 | H192 | 85.8° | 57.9° |
| C21 | N20 | C19 | H191 | 156.0° | 177.9° |
| N20 | C21 | H212 | H211 | 119.4° | 119.9° |
| N20 | C21 | C22 | H222 | 167.7° | 61.6° |
| N20 | C21 | C22 | H221 | 74.6° | 178.3° |
| C21 | N20 | C25 | H251 | 18.7° | 174.3° |
| C21 | N20 | C25 | H252 | 136.0° | 54.3° |
| C21 | C22 | C16 | H222 | 121.2° | 119.9° |
| C21 | C22 | C16 | H221 | 121.2° | 120.0° |
| C22 | C21 | N20 | C25 | 147.9° | 173.7° |
| C22 | C21 | H212 | H211 | 119.4° | 120.0° |
| C21 | C22 | H222 | H221 | 116.3° | 120.1° |
| C22 | C16 | N15 | C23 | 103.1° | 25.7° |
| C22 | C16 | C17 | O24 | 85.4° | 77.5° |
| C22 | C16 | C18 | H182 | 175.2° | 176.4° |
| C22 | C16 | C18 | H181 | 54.6° | 63.5° |
| C16 | C22 | C21 | H212 | 73.6° | 178.4° |
| C16 | C22 | C21 | H211 | 166.7° | 61.6° |
| C16 | C22 | H222 | H221 | 116.3° | 120.1° |
| N15 | C23 | C32 | C36 | 178.9° | 179.7° |
| N15 | C23 | C32 | C33 | 178.8° | 179.7° |
| N15 | C23 | C36 | C35 | 178.7° | 179.8° |
| C23 | N15 | C14 | H142 | 34.1° | 95.4° |
| C23 | N15 | C14 | H141 | 86.9° | 26.2° |
| N15 | C23 | C32 | H321 | 1.2° | 0.3° |
| N15 | C23 | C36 | H361 | 1.3° | 0.3° |
| N20 | C25 | C26 | H251 | 121.3° | 120.0° |
| N20 | C25 | C26 | H252 | 121.3° | 120.0° |
| N20 | C25 | C26 | C27 | 27.2° | 90.0° |
| N20 | C25 | C26 | C31 | 157.9° | 90.3° |
| C25 | N20 | C19 | H192 | 35.3° | 66.3° |
| C25 | N20 | C19 | H191 | 82.9° | 53.7° |
| C25 | N20 | C21 | H212 | 27.7° | 53.7° |
| C25 | N20 | C21 | H211 | 91.9° | 66.3° |
| N20 | C25 | H251 | H252 | 115.9° | 120.0° |
| C25 | C26 | C27 | C31 | 174.9° | 179.7° |
| C25 | C26 | C27 | C28 | 178.3° | 180.0° |
| C25 | C26 | C31 | N30 | 179.2° | 179.7° |
| C26 | C25 | H251 | H252 | 115.9° | 120.0° |
| C25 | C26 | C27 | H271 | 1.8° | 0.1° |
| C25 | C26 | C31 | H311 | 0.7° | 0.0° |
| C26 | C27 | C28 | H271 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.0° | 0.0° |
| C27 | C26 | C31 | N30 | 4.4° | 0.6° |
| C27 | C26 | C25 | H251 | 148.5° | 149.9° |
| C27 | C26 | C25 | H252 | 94.1° | 30.0° |
| C26 | C27 | C28 | H281 | 179.0° | 179.9° |
| C27 | C26 | C31 | H311 | 175.6° | 179.7° |
| C27 | C28 | C29 | H281 | 180.0° | 179.9° |
| C27 | C28 | C29 | N30 | 0.6° | 0.0° |
| C28 | C27 | C26 | C31 | 3.3° | 0.3° |
| C27 | C28 | C29 | H291 | 179.3° | 180.0° |
| C28 | C29 | N30 | H291 | 180.0° | 180.0° |
| C28 | C29 | N30 | C31 | 0.2° | 0.3° |
| C29 | C28 | C27 | H271 | 179.1° | 179.9° |
| C29 | N30 | C31 | C26 | 2.7° | 0.6° |
| N30 | C29 | C28 | H281 | 179.4° | 179.9° |
| C29 | N30 | C31 | H311 | 177.3° | 179.7° |
| N30 | C31 | C26 | H311 | 180.0° | 179.7° |
| C31 | N30 | C29 | H291 | 179.8° | 179.7° |
| C31 | C26 | C25 | H251 | 36.6° | 29.7° |
| C31 | C26 | C25 | H252 | 80.8° | 149.7° |
| C31 | C26 | C27 | H271 | 176.7° | 179.8° |
| C23 | C32 | C33 | H321 | 180.0° | 180.0° |
| C23 | C32 | C33 | C34 | 0.3° | 0.0° |
| C32 | C23 | C36 | C35 | 0.1° | 0.0° |
| C23 | C32 | C33 | H331 | 179.8° | 180.0° |
| C32 | C23 | C36 | H361 | 179.9° | 180.0° |
| C32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.5° | 0.0° |
| C33 | C32 | C23 | C36 | 0.1° | 0.0° |
| C32 | C33 | C34 | H341 | 179.5° | 180.0° |
| C33 | C34 | C35 | H341 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.6° | 0.0° |
| C34 | C33 | C32 | H321 | 179.7° | 180.0° |
| C33 | C34 | C35 | H351 | 179.4° | 180.0° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C34 | C35 | C36 | C23 | 0.4° | 0.0° |
| C35 | C34 | C33 | H331 | 179.5° | 180.0° |
| C34 | C35 | C36 | H361 | 179.6° | 180.0° |
| C35 | C36 | C23 | H361 | 180.0° | 180.0° |
| C36 | C35 | C34 | H341 | 179.5° | 180.0° |
| C36 | C23 | C32 | H321 | 179.9° | 180.0° |
| C23 | C36 | C35 | H351 | 179.6° | 180.0° |
| H182 | C18 | C19 | H192 | 53.4° | 58.3° |
| H182 | C18 | C19 | H191 | 64.8° | 61.7° |
| H181 | C18 | C19 | H192 | 174.0° | 178.5° |
| H181 | C18 | C19 | H191 | 55.7° | 58.5° |
| H212 | C21 | C22 | H222 | 47.5° | 58.4° |
| H212 | C21 | C22 | H221 | 165.2° | 61.6° |
| H211 | C21 | C22 | H222 | 72.1° | 178.5° |
| H211 | C21 | C22 | H221 | 45.6° | 58.4° |
| H271 | C27 | C28 | H281 | 0.9° | 0.0° |
| H281 | C28 | C29 | H291 | 0.7° | 0.1° |
| H051 | C05 | C06 | H061 | 1.2° | 0.2° |
| H321 | C32 | C33 | H331 | 0.3° | 0.0° |
| H331 | C33 | C34 | H341 | 0.5° | 0.1° |
| H341 | C34 | C35 | H351 | 0.6° | 0.0° |
| H351 | C35 | C36 | H361 | 0.4° | 0.0° |
| H091 | N09 | O10 | H101 | 178.8° | 0.0° |
