D1U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | SAS | sing | 1.81Å | 1.78Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CBC | CAB | sing | 1.53Å | 1.52Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CBC | CAC | sing | 1.53Å | 1.54Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| NAD | CAT | sing | 1.35Å | 1.34Å | |
| NAD | HNAD | sing | 0.97Å | 1.00Å | |
| NAD | HNAA | sing | 0.97Å | 1.00Å | |
| CAT | OAE | doub | 1.22Å | 1.22Å | |
| CAU | OAF | doub | 1.21Å | 1.23Å | |
| CBD | FAG | sing | 1.40Å | 1.32Å | |
| FAH | CBD | sing | 1.40Å | 1.30Å | |
| FAI | CBD | sing | 1.40Å | 1.33Å | |
| CAK | CAJ | doub | 1.37Å | 1.40Å | Aromatic |
| CAJ | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAX | CAK | sing | 1.40Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAW | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| NAR | CAM | sing | 1.46Å | 1.48Å | |
| CAN | CAM | sing | 1.53Å | 1.53Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| SAS | CAN | sing | 1.81Å | 1.83Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAU | CAO | sing | 1.52Å | 1.54Å | |
| CBC | CAO | sing | 1.53Å | 1.54Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAY | CAP | sing | 1.51Å | 1.53Å | |
| CAP | CBC | sing | 1.53Å | 1.53Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| NAQ | NBB | sing | 1.40Å | 1.24Å | Aromatic |
| NAQ | CAZ | doub | 1.31Å | 1.33Å | Aromatic |
| NAR | CAW | sing | 1.39Å | 1.34Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| CAT | CAX | sing | 1.47Å | 1.55Å | |
| CBA | CAU | sing | 1.47Å | 1.38Å | |
| CAV | NBB | sing | 1.40Å | 1.33Å | Aromatic |
| CAX | CAW | doub | 1.41Å | 1.39Å | Aromatic |
| NBB | CAY | sing | 1.34Å | 1.33Å | Aromatic |
| CAY | CBA | doub | 1.39Å | 1.38Å | Aromatic |
| CBD | CAZ | sing | 1.51Å | 1.51Å | |
| CAZ | CBA | sing | 1.40Å | 1.38Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SAS | CAA | HAA | 109.5° | 109.5° |
| SAS | CAA | HAAA | 109.5° | 109.5° |
| SAS | CAA | HAAB | 109.5° | 109.5° |
| CAA | SAS | CAN | 101.7° | 103.0° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| CBC | CAB | HAB | 109.5° | 109.4° |
| CBC | CAB | HABA | 109.5° | 109.4° |
| CBC | CAB | HABB | 109.5° | 109.5° |
| CAB | CBC | CAC | 109.9° | 109.3° |
| CAB | CBC | CAO | 109.4° | 109.2° |
| CAB | CBC | CAP | 109.4° | 109.2° |
| HAB | CAB | HABA | 109.5° | 109.4° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.6° |
| CBC | CAC | HAC | 109.5° | 109.5° |
| CBC | CAC | HACA | 109.5° | 109.5° |
| CBC | CAC | HACB | 109.5° | 109.5° |
| CAC | CBC | CAO | 110.4° | 109.2° |
| CAC | CBC | CAP | 109.4° | 109.3° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| HAC | CAC | HACB | 109.5° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| CAT | NAD | HNAD | 120.0° | 120.1° |
| CAT | NAD | HNAA | 120.0° | 119.9° |
| NAD | CAT | OAE | 122.6° | 120.0° |
| NAD | CAT | CAX | 117.9° | 120.1° |
| HNAD | NAD | HNAA | 119.9° | 120.0° |
| OAE | CAT | CAX | 119.5° | 120.0° |
| OAF | CAU | CAO | 119.3° | 122.4° |
| OAF | CAU | CBA | 119.1° | 122.5° |
| FAG | CBD | FAH | 106.2° | 109.5° |
| FAG | CBD | FAI | 111.0° | 109.5° |
| FAG | CBD | CAZ | 112.1° | 109.5° |
| FAH | CBD | FAI | 111.4° | 109.5° |
| FAH | CBD | CAZ | 104.8° | 109.4° |
| FAI | CBD | CAZ | 111.1° | 109.5° |
| CAK | CAJ | CAV | 118.8° | 120.4° |
| CAK | CAJ | HAJ | 120.6° | 119.8° |
| CAJ | CAK | CAX | 120.9° | 120.1° |
| CAJ | CAK | HAK | 119.6° | 119.9° |
| CAV | CAJ | HAJ | 120.6° | 119.8° |
| CAJ | CAV | CAL | 120.1° | 120.3° |
| CAJ | CAV | NBB | 121.7° | 119.9° |
| CAX | CAK | HAK | 119.6° | 120.0° |
| CAK | CAX | CAT | 120.9° | 120.1° |
| CAK | CAX | CAW | 119.9° | 119.7° |
| CAW | CAL | CAV | 120.9° | 119.9° |
| CAW | CAL | HAL | 119.6° | 120.1° |
| CAL | CAW | NAR | 120.8° | 120.2° |
| CAL | CAW | CAX | 119.2° | 119.6° |
| CAV | CAL | HAL | 119.6° | 120.0° |
| CAL | CAV | NBB | 117.3° | 119.9° |
| NAR | CAM | CAN | 110.0° | 109.5° |
| NAR | CAM | HAM | 109.3° | 109.5° |
| NAR | CAM | HAMA | 109.3° | 109.5° |
| CAM | NAR | CAW | 121.3° | 120.0° |
| CAM | NAR | HNAR | 105.7° | 120.0° |
| CAN | CAM | HAM | 109.3° | 109.4° |
| CAN | CAM | HAMA | 109.3° | 109.4° |
| CAM | CAN | SAS | 113.1° | 109.5° |
| CAM | CAN | HAN | 108.3° | 109.5° |
| CAM | CAN | HANA | 108.3° | 109.5° |
| HAM | CAM | HAMA | 109.6° | 109.5° |
| SAS | CAN | HAN | 108.3° | 109.5° |
| SAS | CAN | HANA | 108.3° | 109.5° |
| HAN | CAN | HANA | 110.6° | 109.4° |
| CAU | CAO | CBC | 110.5° | 108.6° |
| CAU | CAO | HAO | 109.1° | 109.6° |
| CAU | CAO | HAOA | 109.1° | 109.7° |
| CAO | CAU | CBA | 121.5° | 115.1° |
| CBC | CAO | HAO | 109.2° | 109.6° |
| CBC | CAO | HAOA | 109.2° | 109.7° |
| CAO | CBC | CAP | 108.4° | 110.6° |
| HAO | CAO | HAOA | 109.8° | 109.7° |
| CAY | CAP | CBC | 109.7° | 109.2° |
| CAY | CAP | HAP | 109.4° | 109.6° |
| CAY | CAP | HAPA | 109.4° | 109.5° |
| CAP | CAY | NBB | 129.0° | 129.8° |
| CAP | CAY | CBA | 124.5° | 123.1° |
| CBC | CAP | HAP | 109.4° | 109.5° |
| CBC | CAP | HAPA | 109.4° | 109.5° |
| HAP | CAP | HAPA | 109.6° | 109.5° |
| NBB | NAQ | CAZ | 108.3° | 109.1° |
| NAQ | NBB | CAV | 124.4° | 125.8° |
| NAQ | NBB | CAY | 112.4° | 108.5° |
| NAQ | CAZ | CBD | 122.7° | 126.2° |
| NAQ | CAZ | CBA | 109.2° | 107.6° |
| CAW | NAR | HNAR | 105.7° | 120.0° |
| NAR | CAW | CAX | 120.0° | 120.2° |
| CAT | CAX | CAW | 119.2° | 120.2° |
| CAU | CBA | CAY | 118.3° | 121.5° |
| CAU | CBA | CAZ | 138.0° | 130.8° |
| CAV | NBB | CAY | 122.4° | 125.7° |
| NBB | CAY | CBA | 106.4° | 107.0° |
| CAY | CBA | CAZ | 103.5° | 107.7° |
| CBD | CAZ | CBA | 128.1° | 126.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAS | CAA | HAA | HAAA | 120.0° | 120.0° |
| SAS | CAA | HAA | HAAB | 120.0° | 120.0° |
| SAS | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | SAS | CAN | CAM | 42.6° | 180.0° |
| CAA | SAS | CAN | HAN | 77.4° | 60.0° |
| CAA | SAS | CAN | HANA | 162.6° | 60.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | SAS | CAN | 180.0° | 60.0° |
| HAAA | CAA | SAS | CAN | 60.0° | 180.0° |
| HAAB | CAA | SAS | CAN | 60.0° | 60.0° |
| CBC | CAB | HAB | HABA | 120.0° | 119.9° |
| CBC | CAB | HAB | HABB | 120.0° | 120.0° |
| CBC | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CBC | CAC | CAO | 120.7° | 119.4° |
| CAB | CBC | CAC | CAP | 120.1° | 119.4° |
| CAB | CBC | CAC | HAC | 180.0° | 179.4° |
| CAB | CBC | CAC | HACA | 60.0° | 60.5° |
| CAB | CBC | CAC | HACB | 60.0° | 59.4° |
| CAB | CBC | CAO | CAU | 175.7° | 174.9° |
| CAB | CBC | CAO | CAP | 119.2° | 120.3° |
| CAB | CBC | CAO | HAO | 64.3° | 55.2° |
| CAB | CBC | CAO | HAOA | 55.7° | 65.3° |
| CAB | CBC | CAP | CAY | 172.1° | 172.8° |
| CAB | CBC | CAP | HAP | 52.1° | 52.8° |
| CAB | CBC | CAP | HAPA | 67.9° | 67.3° |
| HAB | CAB | HABA | HABB | 120.0° | 120.1° |
| HAB | CAB | CBC | CAC | 180.0° | 59.4° |
| HAB | CAB | CBC | CAO | 58.7° | 178.8° |
| HAB | CAB | CBC | CAP | 59.9° | 60.1° |
| HABA | CAB | CBC | CAC | 60.0° | 60.5° |
| HABA | CAB | CBC | CAO | 178.7° | 58.9° |
| HABA | CAB | CBC | CAP | 60.1° | 180.0° |
| HABB | CAB | CBC | CAC | 60.0° | 179.4° |
| HABB | CAB | CBC | CAO | 61.3° | 61.2° |
| HABB | CAB | CBC | CAP | 179.9° | 59.9° |
| CBC | CAC | HAC | HACA | 120.0° | 120.0° |
| CBC | CAC | HAC | HACB | 120.0° | 120.0° |
| CBC | CAC | HACA | HACB | 120.0° | 120.0° |
| CAC | CBC | CAO | CAU | 63.3° | 55.5° |
| CAC | CBC | CAO | CAP | 119.8° | 120.3° |
| CAC | CBC | CAO | HAO | 56.7° | 64.2° |
| CAC | CBC | CAO | HAOA | 176.7° | 175.3° |
| CAC | CBC | CAP | CAY | 67.5° | 67.7° |
| CAC | CBC | CAP | HAP | 172.6° | 172.3° |
| CAC | CBC | CAP | HAPA | 52.5° | 52.2° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAC | CAC | CBC | CAO | 59.3° | 61.1° |
| HAC | CAC | CBC | CAP | 59.9° | 60.0° |
| HACA | CAC | CBC | CAO | 60.7° | 58.9° |
| HACA | CAC | CBC | CAP | 179.9° | 180.0° |
| HACB | CAC | CBC | CAO | 179.3° | 178.9° |
| HACB | CAC | CBC | CAP | 60.1° | 60.0° |
| CAT | NAD | HNAD | HNAA | 180.0° | 179.9° |
| NAD | CAT | OAE | CAX | 179.0° | 180.0° |
| NAD | CAT | CAX | CAK | 22.3° | 5.7° |
| NAD | CAT | CAX | CAW | 158.9° | 174.3° |
| HNAD | NAD | CAT | OAE | 0.0° | 0.1° |
| HNAD | NAD | CAT | CAX | 179.0° | 179.9° |
| HNAA | NAD | CAT | OAE | 180.0° | 180.0° |
| HNAA | NAD | CAT | CAX | 1.0° | 0.0° |
| OAE | CAT | CAX | CAK | 156.8° | 174.3° |
| OAE | CAT | CAX | CAW | 22.1° | 5.7° |
| OAF | CAU | CAO | CBA | 176.3° | 179.9° |
| OAF | CAU | CAO | CBC | 142.9° | 137.3° |
| OAF | CAU | CAO | HAO | 22.9° | 17.6° |
| OAF | CAU | CAO | HAOA | 97.1° | 102.8° |
| OAF | CAU | CBA | CAY | 171.2° | 168.6° |
| OAF | CAU | CBA | CAZ | 3.0° | 11.6° |
| FAG | CBD | FAH | FAI | 121.0° | 120.0° |
| FAG | CBD | FAH | CAZ | 118.8° | 120.0° |
| FAG | CBD | FAI | CAZ | 125.5° | 120.0° |
| FAG | CBD | CAZ | NAQ | 126.8° | 125.0° |
| FAG | CBD | CAZ | CBA | 53.4° | 55.0° |
| FAH | CBD | FAI | CAZ | 116.4° | 120.0° |
| FAH | CBD | CAZ | NAQ | 12.1° | 5.0° |
| FAH | CBD | CAZ | CBA | 168.2° | 175.0° |
| FAI | CBD | CAZ | NAQ | 108.3° | 115.0° |
| FAI | CBD | CAZ | CBA | 71.4° | 65.0° |
| CAK | CAJ | CAV | HAJ | 180.0° | 179.7° |
| CAJ | CAK | CAX | HAK | 180.0° | 180.0° |
| CAK | CAJ | CAV | CAL | 4.4° | 0.3° |
| CAJ | CAK | CAX | CAT | 179.8° | 180.0° |
| CAK | CAJ | CAV | NBB | 173.1° | 179.8° |
| CAJ | CAK | CAX | CAW | 1.4° | 0.0° |
| CAV | CAJ | CAK | CAX | 0.9° | 0.0° |
| CAV | CAJ | CAK | HAK | 179.2° | 180.0° |
| CAJ | CAV | CAL | CAW | 5.7° | 0.6° |
| CAJ | CAV | CAL | NBB | 169.2° | 179.9° |
| CAJ | CAV | CAL | HAL | 174.3° | 180.0° |
| CAJ | CAV | NBB | NAQ | 131.5° | 138.1° |
| CAJ | CAV | NBB | CAY | 59.1° | 41.7° |
| HAJ | CAJ | CAK | CAX | 179.2° | 179.7° |
| HAJ | CAJ | CAK | HAK | 0.8° | 0.3° |
| HAJ | CAJ | CAV | CAL | 175.7° | 180.0° |
| HAJ | CAJ | CAV | NBB | 6.9° | 0.1° |
| CAK | CAX | CAW | CAL | 0.1° | 0.2° |
| CAK | CAX | CAW | NAR | 178.4° | 179.7° |
| CAK | CAX | CAT | CAW | 178.9° | 180.0° |
| HAK | CAK | CAX | CAT | 0.2° | 0.0° |
| HAK | CAK | CAX | CAW | 178.6° | 180.0° |
| CAW | CAL | CAV | HAL | 180.0° | 179.4° |
| CAL | CAW | NAR | CAM | 15.8° | 5.7° |
| CAL | CAW | NAR | CAX | 178.5° | 179.5° |
| CAL | CAW | NAR | HNAR | 104.2° | 174.2° |
| CAL | CAW | CAX | CAT | 179.0° | 179.8° |
| CAW | CAL | CAV | NBB | 175.0° | 179.5° |
| CAL | CAV | NBB | NAQ | 59.4° | 42.0° |
| CAV | CAL | CAW | NAR | 178.1° | 180.0° |
| CAV | CAL | CAW | CAX | 3.4° | 0.5° |
| CAL | CAV | NBB | CAY | 109.9° | 138.2° |
| HAL | CAL | CAW | NAR | 1.9° | 0.6° |
| HAL | CAL | CAV | NBB | 5.0° | 0.1° |
| HAL | CAL | CAW | CAX | 176.5° | 179.9° |
| NAR | CAM | CAN | HAM | 120.0° | 120.0° |
| NAR | CAM | CAN | HAMA | 120.0° | 120.0° |
| NAR | CAM | HAM | HAMA | 119.8° | 120.1° |
| NAR | CAM | CAN | SAS | 47.3° | 180.0° |
| NAR | CAM | CAN | HAN | 167.3° | 60.0° |
| NAR | CAM | CAN | HANA | 72.7° | 60.0° |
| CAM | NAR | CAW | HNAR | 120.0° | 179.9° |
| CAM | NAR | CAW | CAX | 162.6° | 174.8° |
| CAN | CAM | HAM | HAMA | 119.8° | 119.9° |
| CAM | CAN | SAS | HAN | 120.0° | 120.0° |
| CAM | CAN | SAS | HANA | 120.0° | 120.0° |
| CAM | CAN | HAN | HANA | 118.5° | 120.0° |
| CAN | CAM | NAR | CAW | 169.1° | 180.0° |
| CAN | CAM | NAR | HNAR | 70.9° | 0.1° |
| HAM | CAM | CAN | SAS | 72.7° | 60.0° |
| HAM | CAM | CAN | HAN | 47.3° | 60.1° |
| HAM | CAM | CAN | HANA | 167.3° | 180.0° |
| HAM | CAM | NAR | CAW | 70.9° | 60.0° |
| HAM | CAM | NAR | HNAR | 49.1° | 119.9° |
| HAMA | CAM | CAN | SAS | 167.3° | 60.0° |
| HAMA | CAM | CAN | HAN | 72.7° | 179.9° |
| HAMA | CAM | CAN | HANA | 47.3° | 60.0° |
| HAMA | CAM | NAR | CAW | 49.1° | 60.1° |
| HAMA | CAM | NAR | HNAR | 169.1° | 120.0° |
| SAS | CAN | HAN | HANA | 118.5° | 120.0° |
| CAU | CAO | CBC | HAO | 120.0° | 119.7° |
| CAU | CAO | CBC | HAOA | 120.0° | 119.8° |
| CAU | CAO | HAO | HAOA | 119.6° | 120.4° |
| CAU | CAO | CBC | CAP | 56.5° | 64.8° |
| CAO | CAU | CBA | CAY | 5.2° | 11.5° |
| CAO | CAU | CBA | CAZ | 179.3° | 168.3° |
| CBC | CAO | HAO | HAOA | 119.6° | 120.5° |
| CAO | CBC | CAP | CAY | 53.0° | 52.5° |
| CAO | CBC | CAP | HAP | 67.0° | 67.4° |
| CAO | CBC | CAP | HAPA | 172.9° | 172.5° |
| CBC | CAO | CAU | CBA | 33.4° | 42.7° |
| HAO | CAO | CBC | CAP | 176.5° | 175.5° |
| HAO | CAO | CAU | CBA | 153.4° | 162.4° |
| HAOA | CAO | CBC | CAP | 63.5° | 55.0° |
| HAOA | CAO | CAU | CBA | 86.6° | 77.1° |
| CAY | CAP | CBC | HAP | 120.0° | 120.0° |
| CAY | CAP | CBC | HAPA | 120.0° | 119.9° |
| CAY | CAP | HAP | HAPA | 119.9° | 120.2° |
| CAP | CAY | NBB | NAQ | 177.1° | 179.9° |
| CAP | CAY | CBA | CAU | 2.1° | 0.1° |
| CAP | CAY | NBB | CAV | 6.6° | 0.1° |
| CAP | CAY | NBB | CBA | 178.6° | 179.9° |
| CAP | CAY | CBA | CAZ | 178.1° | 180.0° |
| CBC | CAP | HAP | HAPA | 119.9° | 120.1° |
| CBC | CAP | CAY | NBB | 154.2° | 159.6° |
| CBC | CAP | CAY | CBA | 27.4° | 20.5° |
| HAP | CAP | CAY | NBB | 85.8° | 80.4° |
| HAP | CAP | CAY | CBA | 92.6° | 99.5° |
| HAPA | CAP | CAY | NBB | 34.2° | 39.7° |
| HAPA | CAP | CAY | CBA | 147.4° | 140.4° |
| NAQ | NBB | CAV | CAY | 169.4° | 179.8° |
| NAQ | NBB | CAY | CBA | 4.3° | 0.0° |
| NBB | NAQ | CAZ | CBD | 178.6° | 179.9° |
| NBB | NAQ | CAZ | CBA | 1.2° | 0.1° |
| NAQ | CAZ | CBA | CAU | 176.1° | 179.7° |
| CAZ | NAQ | NBB | CAV | 173.7° | 179.9° |
| CAZ | NAQ | NBB | CAY | 3.4° | 0.1° |
| NAQ | CAZ | CBA | CAY | 1.4° | 0.1° |
| NAQ | CAZ | CBD | CBA | 179.8° | 180.0° |
| NAR | CAW | CAX | CAT | 0.5° | 0.3° |
| HNAR | NAR | CAW | CAX | 77.4° | 5.3° |
| CAU | CBA | CAY | NBB | 179.2° | 179.8° |
| CAU | CBA | CAY | CAZ | 176.0° | 179.9° |
| CAU | CBA | CAZ | CBD | 4.1° | 0.3° |
| CAV | NBB | CAY | CBA | 174.8° | 179.8° |
| NBB | CAY | CBA | CAZ | 3.2° | 0.1° |
| CAY | CBA | CAZ | CBD | 178.8° | 179.9° |
