A1BYD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.21Å | 1.18Å | |
| C04 | C03 | sing | 1.53Å | 1.39Å | |
| C03 | C02 | sing | 1.51Å | 1.45Å | |
| N05 | C02 | sing | 1.35Å | 1.47Å | |
| C06 | N05 | sing | 1.40Å | 1.47Å | |
| C07 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N09 | sing | 1.38Å | 1.47Å | |
| N11 | C10 | doub | 1.32Å | 1.32Å | Aromatic |
| C12 | N11 | sing | 1.33Å | 1.32Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| N19 | C18 | sing | 1.47Å | 1.48Å | |
| C20 | N19 | sing | 1.37Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.42Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| C23 | C22 | doub | 1.37Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.55Å | |
| C26 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| N28 | C27 | doub | 1.32Å | 1.33Å | Aromatic |
| N09 | C08 | sing | 1.40Å | 1.47Å | |
| C29 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | O30 | sing | 1.43Å | 1.41Å | |
| O30 | C29 | sing | 1.36Å | 1.41Å | |
| C32 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| N34 | C33 | sing | 1.40Å | 1.48Å | |
| C35 | N34 | sing | 1.47Å | 1.47Å | |
| C36 | N34 | sing | 1.47Å | 1.48Å | |
| C37 | C36 | sing | 1.53Å | 1.56Å | |
| N38 | C37 | sing | 1.47Å | 1.48Å | |
| C39 | N38 | sing | 1.47Å | 1.47Å | |
| C40 | N38 | sing | 1.47Å | 1.47Å | |
| C06 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N28 | sing | 1.33Å | 1.32Å | Aromatic |
| C13 | C21 | sing | 1.46Å | 1.45Å | Aromatic |
| C14 | N19 | sing | 1.37Å | 1.35Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 110.9° | 120.0° |
| O01 | C02 | N05 | 124.2° | 120.0° |
| C04 | C03 | C02 | 121.3° | 109.5° |
| C04 | C03 | H031 | 106.4° | 109.5° |
| C03 | C04 | H042 | 109.5° | 109.4° |
| C03 | C04 | H041 | 109.4° | 109.5° |
| C04 | C03 | H1 | 106.4° | 109.5° |
| C03 | C04 | H2 | 109.5° | 109.5° |
| C03 | C02 | N05 | 123.1° | 120.0° |
| C02 | C03 | H031 | 106.4° | 109.4° |
| C02 | C03 | H1 | 106.5° | 109.4° |
| C02 | N05 | C06 | 126.9° | 120.0° |
| C02 | N05 | H051 | 116.5° | 120.0° |
| N05 | C06 | C07 | 122.1° | 120.1° |
| N05 | C06 | C33 | 118.3° | 120.0° |
| C06 | N05 | H051 | 116.5° | 120.0° |
| C06 | C07 | C08 | 121.2° | 120.0° |
| C07 | C06 | C33 | 119.6° | 119.9° |
| C06 | C07 | H071 | 119.4° | 119.9° |
| C07 | C08 | N09 | 122.4° | 120.0° |
| C07 | C08 | C29 | 118.8° | 120.0° |
| C08 | C07 | H071 | 119.4° | 120.0° |
| N09 | C10 | N11 | 121.2° | 119.2° |
| C10 | N09 | C08 | 125.2° | 120.0° |
| N09 | C10 | N28 | 118.6° | 119.1° |
| C10 | N09 | H091 | 117.4° | 120.0° |
| C10 | N11 | C12 | 122.0° | 120.6° |
| N11 | C10 | N28 | 120.3° | 121.7° |
| N11 | C12 | C13 | 118.3° | 120.5° |
| N11 | C12 | C26 | 119.6° | 118.9° |
| C13 | C14 | C15 | 132.8° | 125.9° |
| C14 | C13 | C12 | 124.7° | 126.8° |
| C14 | C13 | C21 | 107.9° | 106.5° |
| C13 | C14 | N19 | 106.7° | 110.0° |
| C14 | C15 | C16 | 114.3° | 108.3° |
| C15 | C14 | N19 | 120.5° | 124.1° |
| C14 | C15 | H152 | 108.3° | 109.7° |
| C14 | C15 | H151 | 108.3° | 109.7° |
| C15 | C16 | C17 | 113.2° | 109.1° |
| C16 | C15 | H152 | 108.2° | 109.7° |
| C16 | C15 | H151 | 108.2° | 109.8° |
| C15 | C16 | H161 | 108.5° | 109.6° |
| C15 | C16 | H162 | 108.5° | 109.5° |
| C16 | C17 | C18 | 111.8° | 109.6° |
| C17 | C16 | H161 | 108.6° | 109.6° |
| C17 | C16 | H162 | 108.5° | 109.6° |
| C16 | C17 | H172 | 108.9° | 109.4° |
| C16 | C17 | H171 | 108.9° | 109.5° |
| C17 | C18 | N19 | 111.1° | 109.0° |
| C18 | C17 | H172 | 108.9° | 109.5° |
| C18 | C17 | H171 | 108.9° | 109.5° |
| C17 | C18 | H182 | 109.1° | 109.6° |
| C17 | C18 | H181 | 109.1° | 109.5° |
| C18 | N19 | C20 | 124.9° | 126.4° |
| C18 | N19 | C14 | 123.9° | 123.8° |
| N19 | C18 | H182 | 109.0° | 109.6° |
| N19 | C18 | H181 | 109.1° | 109.7° |
| N19 | C20 | C21 | 108.2° | 107.7° |
| C20 | N19 | C14 | 111.2° | 109.7° |
| N19 | C20 | C25 | 131.1° | 131.8° |
| C20 | C21 | C22 | 118.8° | 121.5° |
| C20 | C21 | C13 | 105.9° | 106.0° |
| C21 | C20 | C25 | 120.7° | 120.5° |
| C21 | C22 | C23 | 121.0° | 116.8° |
| C22 | C21 | C13 | 135.3° | 132.4° |
| C21 | C22 | H221 | 119.5° | 121.6° |
| C22 | C23 | C24 | 119.7° | 122.0° |
| C23 | C22 | H221 | 119.5° | 121.6° |
| C22 | C23 | H231 | 120.1° | 119.0° |
| C23 | C24 | C25 | 119.8° | 122.2° |
| C24 | C23 | H231 | 120.2° | 119.0° |
| C23 | C24 | H241 | 120.1° | 118.9° |
| C24 | C25 | C20 | 120.0° | 116.9° |
| C25 | C24 | H241 | 120.1° | 118.9° |
| C24 | C25 | H251 | 120.0° | 121.5° |
| C13 | C12 | C26 | 122.1° | 120.5° |
| C12 | C13 | C21 | 127.5° | 126.7° |
| C12 | C26 | C27 | 117.1° | 118.5° |
| C12 | C26 | H261 | 121.5° | 120.8° |
| C26 | C27 | N28 | 119.6° | 119.3° |
| C27 | C26 | H261 | 121.4° | 120.7° |
| C26 | C27 | H271 | 120.2° | 120.3° |
| C27 | N28 | C10 | 121.5° | 121.0° |
| N28 | C27 | H271 | 120.2° | 120.4° |
| N09 | C08 | C29 | 118.8° | 120.0° |
| C08 | N09 | H091 | 117.4° | 120.0° |
| C08 | C29 | O30 | 119.8° | 120.0° |
| C08 | C29 | C32 | 120.7° | 120.1° |
| C31 | O30 | C29 | 112.9° | 117.0° |
| O30 | C31 | H313 | 109.5° | 109.5° |
| O30 | C31 | H311 | 109.5° | 109.5° |
| O30 | C31 | H312 | 109.5° | 109.4° |
| O30 | C29 | C32 | 119.5° | 119.9° |
| C29 | C32 | C33 | 119.7° | 120.0° |
| C29 | C32 | H321 | 120.2° | 120.0° |
| C32 | C33 | N34 | 120.4° | 120.0° |
| C32 | C33 | C06 | 120.0° | 120.0° |
| C33 | C32 | H321 | 120.1° | 120.0° |
| C33 | N34 | C35 | 120.4° | 111.0° |
| C33 | N34 | C36 | 119.5° | 111.0° |
| N34 | C33 | C06 | 119.5° | 120.0° |
| C35 | N34 | C36 | 120.1° | 111.0° |
| N34 | C35 | H353 | 109.5° | 109.5° |
| N34 | C35 | H351 | 109.5° | 109.5° |
| N34 | C35 | H352 | 109.5° | 109.5° |
| N34 | C36 | C37 | 109.6° | 109.5° |
| N34 | C36 | H361 | 109.4° | 109.4° |
| N34 | C36 | H362 | 109.4° | 109.4° |
| C36 | C37 | N38 | 109.9° | 109.5° |
| C37 | C36 | H361 | 109.4° | 109.5° |
| C37 | C36 | H362 | 109.4° | 109.5° |
| C36 | C37 | H371 | 109.4° | 109.5° |
| C36 | C37 | H372 | 109.3° | 109.5° |
| C37 | N38 | C39 | 108.7° | 111.0° |
| C37 | N38 | C40 | 109.9° | 111.0° |
| N38 | C37 | H371 | 109.4° | 109.5° |
| N38 | C37 | H372 | 109.4° | 109.4° |
| C39 | N38 | C40 | 109.3° | 111.0° |
| N38 | C39 | H393 | 109.5° | 109.5° |
| N38 | C39 | H392 | 109.4° | 109.5° |
| N38 | C39 | H391 | 109.5° | 109.5° |
| N38 | C40 | H403 | 109.5° | 109.5° |
| N38 | C40 | H401 | 109.4° | 109.5° |
| N38 | C40 | H402 | 109.5° | 109.5° |
| C20 | C25 | H251 | 120.0° | 121.6° |
| H031 | C03 | H1 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H042 | C04 | H2 | 109.5° | 109.5° |
| H041 | C04 | H2 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.7° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.4° | 109.5° |
| H313 | C31 | H311 | 109.5° | 109.5° |
| H313 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H353 | C35 | H351 | 109.5° | 109.5° |
| H353 | C35 | H352 | 109.5° | 109.4° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H393 | C39 | H392 | 109.5° | 109.5° |
| H393 | C39 | H391 | 109.5° | 109.4° |
| H392 | C39 | H391 | 109.5° | 109.4° |
| H403 | C40 | H401 | 109.5° | 109.5° |
| H403 | C40 | H402 | 109.5° | 109.4° |
| H401 | C40 | H402 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C04 | 50.3° | 0.0° |
| O01 | C02 | C03 | N05 | 165.5° | 180.0° |
| O01 | C02 | N05 | C06 | 0.8° | 4.8° |
| O01 | C02 | C03 | H031 | 172.0° | 120.0° |
| O01 | C02 | N05 | H051 | 179.2° | 175.2° |
| O01 | C02 | C03 | H1 | 71.3° | 120.0° |
| C04 | C03 | C02 | H031 | 121.6° | 120.0° |
| C04 | C03 | C02 | H1 | 121.7° | 120.0° |
| C04 | C03 | C02 | N05 | 115.2° | 180.0° |
| C04 | C03 | H031 | H1 | 114.6° | 120.1° |
| C03 | C04 | H042 | H041 | 120.0° | 120.0° |
| C03 | C04 | H042 | H2 | 120.0° | 120.0° |
| C03 | C04 | H041 | H2 | 120.0° | 120.0° |
| C03 | C02 | N05 | C06 | 164.4° | 175.2° |
| C02 | C03 | H031 | H1 | 114.7° | 119.9° |
| C02 | C03 | C04 | H042 | 180.0° | 60.0° |
| C02 | C03 | C04 | H041 | 60.0° | 60.0° |
| C03 | C02 | N05 | H051 | 15.6° | 4.8° |
| C02 | C03 | C04 | H2 | 60.0° | 180.0° |
| C02 | N05 | C06 | H051 | 180.0° | 180.0° |
| C02 | N05 | C06 | C07 | 16.0° | 28.7° |
| C02 | N05 | C06 | C33 | 164.7° | 151.5° |
| N05 | C02 | C03 | H031 | 6.5° | 60.0° |
| N05 | C02 | C03 | H1 | 123.2° | 60.0° |
| N05 | C06 | C07 | C33 | 179.3° | 179.8° |
| N05 | C06 | C07 | C08 | 179.1° | 180.0° |
| N05 | C06 | C33 | C32 | 179.6° | 179.7° |
| N05 | C06 | C33 | N34 | 0.6° | 0.0° |
| N05 | C06 | C07 | H071 | 0.9° | 0.1° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | N09 | 179.7° | 180.0° |
| C06 | C07 | C08 | C29 | 0.7° | 0.1° |
| C07 | C06 | C33 | C32 | 0.2° | 0.6° |
| C07 | C06 | C33 | N34 | 179.9° | 179.8° |
| C07 | C06 | N05 | H051 | 164.0° | 151.2° |
| C07 | C08 | N09 | C10 | 19.2° | 32.9° |
| C07 | C08 | N09 | C29 | 179.0° | 180.0° |
| C07 | C08 | C29 | O30 | 179.5° | 180.0° |
| C07 | C08 | C29 | C32 | 0.7° | 0.0° |
| C08 | C07 | C06 | C33 | 0.2° | 0.2° |
| C07 | C08 | N09 | H091 | 160.8° | 147.0° |
| N09 | C10 | N11 | N28 | 179.6° | 179.8° |
| N09 | C10 | N11 | C12 | 179.8° | 180.0° |
| N09 | C10 | N28 | C27 | 179.9° | 180.0° |
| C10 | N09 | C08 | H091 | 180.0° | 180.0° |
| C10 | N09 | C08 | C29 | 161.9° | 147.1° |
| C10 | N11 | C12 | C13 | 179.7° | 179.9° |
| C10 | N11 | C12 | C26 | 0.6° | 0.0° |
| N11 | C10 | N28 | C27 | 0.5° | 0.2° |
| N11 | C10 | N09 | C08 | 8.2° | 173.6° |
| N11 | C10 | N09 | H091 | 171.9° | 6.3° |
| N11 | C12 | C13 | C14 | 19.7° | 46.5° |
| N11 | C12 | C13 | C26 | 179.7° | 180.0° |
| N11 | C12 | C26 | C27 | 0.4° | 0.3° |
| C12 | N11 | C10 | N28 | 0.6° | 0.2° |
| N11 | C12 | C13 | C21 | 159.8° | 133.8° |
| N11 | C12 | C26 | H261 | 179.6° | 180.0° |
| C13 | C14 | C15 | N19 | 179.5° | 180.0° |
| C13 | C14 | C15 | C16 | 177.7° | 164.2° |
| C13 | C14 | N19 | C18 | 179.9° | 180.0° |
| C13 | C14 | N19 | C20 | 0.2° | 0.2° |
| C14 | C13 | C21 | C20 | 0.3° | 0.3° |
| C14 | C13 | C21 | C22 | 179.7° | 179.8° |
| C14 | C13 | C12 | C21 | 179.5° | 179.7° |
| C14 | C13 | C12 | C26 | 160.0° | 133.5° |
| C13 | C14 | C15 | H152 | 57.0° | 76.1° |
| C13 | C14 | C15 | H151 | 61.6° | 44.4° |
| C14 | C15 | C16 | H152 | 120.7° | 119.7° |
| C14 | C15 | C16 | H151 | 120.7° | 119.7° |
| C14 | C15 | C16 | C17 | 29.9° | 48.8° |
| C15 | C14 | N19 | C18 | 0.3° | 0.0° |
| C15 | C14 | N19 | C20 | 179.8° | 179.8° |
| C15 | C14 | C13 | C12 | 0.6° | 0.0° |
| C15 | C14 | C13 | C21 | 179.8° | 179.7° |
| C14 | C15 | H152 | H151 | 117.9° | 120.5° |
| C14 | C15 | C16 | H161 | 90.7° | 168.7° |
| C14 | C15 | C16 | H162 | 150.5° | 71.1° |
| C15 | C16 | C17 | H161 | 120.6° | 119.9° |
| C15 | C16 | C17 | H162 | 120.5° | 119.9° |
| C15 | C16 | C17 | C18 | 56.4° | 70.1° |
| C16 | C15 | C14 | N19 | 1.8° | 15.8° |
| C16 | C15 | H152 | H151 | 117.8° | 120.6° |
| C15 | C16 | H161 | H162 | 118.2° | 120.2° |
| C15 | C16 | C17 | H172 | 176.7° | 49.9° |
| C15 | C16 | C17 | H171 | 64.0° | 169.8° |
| C16 | C17 | C18 | H172 | 120.3° | 120.0° |
| C16 | C17 | C18 | H171 | 120.3° | 120.1° |
| C16 | C17 | C18 | N19 | 52.8° | 51.3° |
| C17 | C16 | C15 | H152 | 150.6° | 70.9° |
| C17 | C16 | C15 | H151 | 90.8° | 168.5° |
| C17 | C16 | H161 | H162 | 118.3° | 120.2° |
| C16 | C17 | H172 | H171 | 118.9° | 120.0° |
| C16 | C17 | C18 | H182 | 67.4° | 171.2° |
| C16 | C17 | C18 | H181 | 173.1° | 68.6° |
| C17 | C18 | N19 | H182 | 120.3° | 119.9° |
| C17 | C18 | N19 | H181 | 120.3° | 119.9° |
| C17 | C18 | N19 | C20 | 154.7° | 162.5° |
| C17 | C18 | N19 | C14 | 25.1° | 17.7° |
| C18 | C17 | C16 | H161 | 64.2° | 170.0° |
| C18 | C17 | C16 | H162 | 176.9° | 49.8° |
| C18 | C17 | H172 | H171 | 118.9° | 119.9° |
| C17 | C18 | H182 | H181 | 119.3° | 120.1° |
| C18 | N19 | C20 | C14 | 179.9° | 179.8° |
| C18 | N19 | C20 | C21 | 179.9° | 179.9° |
| C18 | N19 | C20 | C25 | 0.0° | 0.1° |
| N19 | C18 | C17 | H172 | 173.2° | 68.7° |
| N19 | C18 | C17 | H171 | 67.5° | 171.4° |
| N19 | C18 | H182 | H181 | 119.2° | 120.3° |
| N19 | C20 | C21 | C25 | 179.9° | 179.8° |
| N19 | C20 | C21 | C22 | 179.8° | 179.9° |
| N19 | C20 | C25 | C24 | 179.9° | 179.8° |
| N19 | C20 | C21 | C13 | 0.2° | 0.1° |
| C20 | N19 | C18 | H182 | 85.0° | 42.6° |
| C20 | N19 | C18 | H181 | 34.4° | 77.6° |
| N19 | C20 | C25 | H251 | 0.1° | 0.1° |
| C20 | C21 | C22 | C13 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C21 | C20 | C25 | C24 | 0.1° | 0.0° |
| C20 | C21 | C13 | C12 | 179.9° | 180.0° |
| C21 | C20 | N19 | C14 | 0.0° | 0.0° |
| C20 | C21 | C22 | H221 | 179.7° | 180.0° |
| C21 | C20 | C25 | H251 | 179.9° | 179.7° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C22 | C21 | C13 | C12 | 0.1° | 0.0° |
| C22 | C21 | C20 | C25 | 0.0° | 0.1° |
| C21 | C22 | C23 | H231 | 179.7° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.2° | 0.1° |
| C23 | C22 | C21 | C13 | 179.8° | 180.0° |
| C22 | C23 | C24 | H241 | 179.8° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C20 | 0.0° | 0.0° |
| C24 | C23 | C22 | H221 | 179.7° | 179.9° |
| C23 | C24 | C25 | H251 | 180.0° | 179.8° |
| C24 | C25 | C20 | H251 | 180.0° | 179.7° |
| C25 | C24 | C23 | H231 | 179.8° | 180.0° |
| C13 | C12 | C26 | C27 | 179.9° | 179.7° |
| C12 | C13 | C14 | N19 | 179.9° | 180.0° |
| C13 | C12 | C26 | H261 | 0.1° | 0.0° |
| C12 | C26 | C27 | H261 | 180.0° | 179.7° |
| C12 | C26 | C27 | N28 | 0.3° | 0.3° |
| C26 | C12 | C13 | C21 | 20.5° | 46.2° |
| C12 | C26 | C27 | H271 | 179.6° | 180.0° |
| C26 | C27 | N28 | H271 | 180.0° | 179.7° |
| C26 | C27 | N28 | C10 | 0.4° | 0.0° |
| N28 | C27 | C26 | H261 | 179.7° | 180.0° |
| N09 | C08 | C29 | O30 | 0.5° | 0.0° |
| N09 | C08 | C29 | C32 | 179.7° | 180.0° |
| C08 | N09 | C10 | N28 | 172.2° | 6.2° |
| N09 | C08 | C07 | H071 | 0.3° | 0.0° |
| C08 | C29 | O30 | C31 | 161.8° | 179.9° |
| C08 | C29 | O30 | C32 | 179.8° | 180.0° |
| C08 | C29 | C32 | C33 | 0.3° | 0.3° |
| C29 | C08 | C07 | H071 | 179.3° | 180.0° |
| C08 | C29 | C32 | H321 | 179.7° | 180.0° |
| C29 | C08 | N09 | H091 | 18.2° | 32.9° |
| C31 | O30 | C29 | C32 | 18.0° | 0.0° |
| O30 | C31 | H313 | H311 | 120.0° | 120.1° |
| O30 | C31 | H313 | H312 | 120.0° | 119.9° |
| O30 | C31 | H311 | H312 | 120.0° | 119.9° |
| O30 | C29 | C32 | C33 | 179.9° | 179.7° |
| C29 | O30 | C31 | H313 | 180.0° | 59.9° |
| C29 | O30 | C31 | H311 | 60.0° | 180.0° |
| C29 | O30 | C31 | H312 | 60.0° | 60.0° |
| O30 | C29 | C32 | H321 | 0.0° | 0.0° |
| C29 | C32 | C33 | H321 | 180.0° | 179.7° |
| C29 | C32 | C33 | N34 | 180.0° | 179.7° |
| C29 | C32 | C33 | C06 | 0.2° | 0.6° |
| C32 | C33 | N34 | C06 | 179.8° | 179.7° |
| C32 | C33 | N34 | C35 | 91.3° | 63.7° |
| C32 | C33 | N34 | C36 | 88.8° | 60.3° |
| C33 | N34 | C35 | C36 | 179.9° | 124.0° |
| C33 | N34 | C36 | C37 | 104.3° | 170.0° |
| N34 | C33 | C32 | H321 | 0.1° | 0.0° |
| C33 | N34 | C35 | H353 | 180.0° | 176.1° |
| C33 | N34 | C35 | H351 | 60.0° | 56.1° |
| C33 | N34 | C35 | H352 | 60.0° | 64.0° |
| C33 | N34 | C36 | H361 | 15.7° | 50.0° |
| C33 | N34 | C36 | H362 | 135.7° | 70.0° |
| C35 | N34 | C36 | C37 | 75.6° | 66.0° |
| C35 | N34 | C33 | C06 | 88.6° | 116.0° |
| N34 | C35 | H353 | H351 | 120.0° | 120.0° |
| N34 | C35 | H353 | H352 | 120.0° | 119.9° |
| N34 | C35 | H351 | H352 | 120.0° | 120.0° |
| C35 | N34 | C36 | H361 | 164.3° | 173.9° |
| C35 | N34 | C36 | H362 | 44.4° | 54.0° |
| N34 | C36 | C37 | H361 | 120.0° | 120.0° |
| N34 | C36 | C37 | H362 | 120.0° | 120.0° |
| N34 | C36 | C37 | N38 | 107.4° | 180.0° |
| C36 | N34 | C33 | C06 | 91.3° | 120.0° |
| C36 | N34 | C35 | H353 | 0.1° | 59.9° |
| C36 | N34 | C35 | H351 | 120.1° | 180.0° |
| C36 | N34 | C35 | H352 | 119.9° | 60.0° |
| N34 | C36 | H361 | H362 | 119.9° | 119.9° |
| N34 | C36 | C37 | H371 | 12.7° | 60.0° |
| N34 | C36 | C37 | H372 | 132.6° | 60.0° |
| C36 | C37 | N38 | H371 | 120.1° | 120.0° |
| C36 | C37 | N38 | H372 | 120.1° | 120.0° |
| C36 | C37 | N38 | C39 | 88.7° | 66.0° |
| C36 | C37 | N38 | C40 | 151.7° | 170.0° |
| C37 | C36 | H361 | H362 | 120.0° | 120.1° |
| C36 | C37 | H371 | H372 | 119.8° | 120.0° |
| C37 | N38 | C39 | C40 | 119.9° | 124.0° |
| N38 | C37 | C36 | H361 | 132.6° | 60.0° |
| N38 | C37 | C36 | H362 | 12.7° | 60.0° |
| N38 | C37 | H371 | H372 | 119.8° | 120.0° |
| C37 | N38 | C39 | H393 | 180.0° | 176.1° |
| C37 | N38 | C39 | H392 | 60.0° | 56.0° |
| C37 | N38 | C39 | H391 | 60.0° | 64.0° |
| C37 | N38 | C40 | H403 | 180.0° | 60.0° |
| C37 | N38 | C40 | H401 | 60.0° | 60.0° |
| C37 | N38 | C40 | H402 | 60.0° | 180.0° |
| C39 | N38 | C37 | H371 | 151.3° | 54.0° |
| C39 | N38 | C37 | H372 | 31.4° | 174.0° |
| N38 | C39 | H393 | H392 | 120.0° | 120.1° |
| N38 | C39 | H393 | H391 | 120.0° | 120.0° |
| N38 | C39 | H392 | H391 | 120.0° | 120.0° |
| C39 | N38 | C40 | H403 | 60.8° | 64.0° |
| C39 | N38 | C40 | H401 | 179.2° | 176.0° |
| C39 | N38 | C40 | H402 | 59.2° | 56.0° |
| C40 | N38 | C37 | H371 | 31.7° | 70.0° |
| C40 | N38 | C37 | H372 | 88.2° | 50.0° |
| C40 | N38 | C39 | H393 | 60.1° | 60.0° |
| C40 | N38 | C39 | H392 | 59.9° | 180.0° |
| C40 | N38 | C39 | H391 | 179.9° | 60.0° |
| N38 | C40 | H403 | H401 | 120.0° | 120.0° |
| N38 | C40 | H403 | H402 | 120.0° | 120.0° |
| N38 | C40 | H401 | H402 | 120.0° | 120.1° |
| C33 | C06 | C07 | H071 | 179.8° | 179.7° |
| C06 | C33 | C32 | H321 | 179.8° | 179.7° |
| C33 | C06 | N05 | H051 | 15.3° | 28.5° |
| C10 | N28 | C27 | H271 | 179.6° | 179.7° |
| N28 | C10 | N09 | H091 | 7.8° | 173.9° |
| C21 | C13 | C14 | N19 | 0.3° | 0.3° |
| C13 | C21 | C20 | C25 | 180.0° | 179.9° |
| C13 | C21 | C22 | H221 | 0.2° | 0.0° |
| C14 | N19 | C20 | C25 | 179.8° | 179.8° |
| N19 | C14 | C15 | H152 | 122.5° | 103.9° |
| N19 | C14 | C15 | H151 | 118.9° | 135.6° |
| C14 | N19 | C18 | H182 | 95.1° | 137.6° |
| C14 | N19 | C18 | H181 | 145.4° | 102.2° |
| C20 | C25 | C24 | H241 | 180.0° | 180.0° |
| H031 | C03 | C04 | H042 | 58.4° | 180.0° |
| H031 | C03 | C04 | H041 | 61.6° | 60.0° |
| H031 | C03 | C04 | H2 | 178.4° | 60.1° |
| H042 | C04 | H041 | H2 | 120.0° | 120.0° |
| H042 | C04 | C03 | H1 | 58.3° | 60.0° |
| H041 | C04 | C03 | H1 | 178.3° | 180.0° |
| H152 | C15 | C16 | H161 | 30.0° | 49.0° |
| H152 | C15 | C16 | H162 | 88.8° | 169.2° |
| H151 | C15 | C16 | H161 | 148.6° | 71.5° |
| H151 | C15 | C16 | H162 | 29.7° | 48.6° |
| H161 | C16 | C17 | H172 | 56.2° | 70.0° |
| H161 | C16 | C17 | H171 | 175.5° | 49.9° |
| H162 | C16 | C17 | H172 | 62.7° | 169.8° |
| H162 | C16 | C17 | H171 | 56.6° | 70.3° |
| H172 | C17 | C18 | H182 | 52.9° | 51.2° |
| H172 | C17 | C18 | H181 | 66.6° | 171.4° |
| H171 | C17 | C18 | H182 | 172.2° | 68.7° |
| H171 | C17 | C18 | H181 | 52.7° | 51.4° |
| H221 | C22 | C23 | H231 | 0.3° | 0.0° |
| H231 | C23 | C24 | H241 | 0.2° | 0.0° |
| H241 | C24 | C25 | H251 | 0.0° | 0.2° |
| H261 | C26 | C27 | H271 | 0.4° | 0.3° |
| H313 | C31 | H311 | H312 | 120.0° | 120.0° |
| H353 | C35 | H351 | H352 | 120.0° | 120.0° |
| H361 | C36 | C37 | H371 | 107.3° | 60.0° |
| H361 | C36 | C37 | H372 | 12.6° | NaN° |
| H362 | C36 | C37 | H371 | 132.7° | 180.0° |
| H362 | C36 | C37 | H372 | 107.4° | 60.0° |
| H393 | C39 | H392 | H391 | 120.0° | 120.0° |
| H403 | C40 | H401 | H402 | 120.0° | 120.0° |
| H1 | C03 | C04 | H2 | 61.7° | 60.0° |
