XXJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CBA | sing | 1.37Å | 1.33Å | |
| OAB | CAX | doub | 1.22Å | 1.23Å | |
| OAC | CBF | doub | 1.22Å | 1.23Å | |
| OAD | SBJ | doub | 1.42Å | 1.53Å | |
| OAE | SBJ | doub | 1.42Å | 1.53Å | |
| OAF | NBI | sing | 1.42Å | 1.40Å | |
| FAG | CAY | sing | 1.35Å | 1.34Å | |
| FAH | CBB | sing | 1.35Å | 1.34Å | |
| CAI | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAY | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CBD | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CBD | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CBC | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | NAV | doub | 1.32Å | 1.40Å | Aromatic |
| CAP | CAZ | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CBB | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAZ | doub | 1.38Å | 1.40Å | Aromatic |
| CAR | CBG | sing | 1.40Å | 1.40Å | Aromatic |
| CAS | CAU | sing | 1.53Å | 1.54Å | |
| CAS | CAZ | sing | 1.51Å | 1.40Å | |
| CAT | NAW | sing | 1.46Å | 1.48Å | |
| CAT | CBC | sing | 1.51Å | 1.39Å | |
| CAU | SBJ | sing | 1.81Å | 1.83Å | |
| NAV | CBH | sing | 1.33Å | 1.34Å | Aromatic |
| NAW | CAX | sing | 1.35Å | 1.35Å | |
| CAX | CBE | sing | 1.47Å | 1.40Å | |
| CBA | CBE | doub | 1.40Å | 1.40Å | |
| CBA | CBG | sing | 1.47Å | 1.39Å | |
| CBB | CBC | doub | 1.38Å | 1.39Å | Aromatic |
| CBD | SBJ | sing | 1.76Å | 1.73Å | |
| CBE | CBF | sing | 1.42Å | 1.39Å | |
| CBF | NBI | sing | 1.34Å | 1.35Å | |
| CBG | CBH | doub | 1.41Å | 1.39Å | Aromatic |
| CBH | NBI | sing | 1.38Å | 1.35Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | HATA | sing | 1.09Å | 1.10Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAU | HAUA | sing | 1.09Å | 1.10Å | |
| NAW | HNAW | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CBA | CBE | 119.1° | 121.0° |
| NAA | CBA | CBG | 119.1° | 121.0° |
| CBA | NAA | HNAA | 109.5° | 120.0° |
| CBA | NAA | HNAB | 109.5° | 120.0° |
| OAB | CAX | NAW | 122.4° | 120.0° |
| OAB | CAX | CBE | 120.4° | 120.0° |
| OAC | CBF | CBE | 120.9° | 119.2° |
| OAC | CBF | NBI | 119.1° | 119.1° |
| OAD | SBJ | OAE | 109.6° | 121.0° |
| OAD | SBJ | CAU | 109.4° | 110.5° |
| OAD | SBJ | CBD | 110.2° | 104.3° |
| OAE | SBJ | CAU | 109.6° | 110.5° |
| OAE | SBJ | CBD | 109.8° | 104.3° |
| OAF | NBI | CBF | 119.1° | 119.1° |
| OAF | NBI | CBH | 118.7° | 119.1° |
| NBI | OAF | HOAF | 109.5° | 114.0° |
| FAG | CAY | CAL | 119.8° | 120.0° |
| FAG | CAY | CAQ | 120.3° | 120.1° |
| FAH | CBB | CAQ | 119.7° | 120.0° |
| FAH | CBB | CBC | 120.4° | 120.0° |
| CAJ | CAI | CAK | 120.2° | 120.0° |
| CAI | CAJ | CAM | 120.1° | 120.0° |
| CAJ | CAI | HAI | 119.9° | 120.0° |
| CAI | CAJ | HAJ | 119.9° | 120.0° |
| CAI | CAK | CAN | 119.7° | 120.0° |
| CAK | CAI | HAI | 119.9° | 120.0° |
| CAI | CAK | HAK | 120.2° | 120.0° |
| CAJ | CAM | CBD | 119.6° | 120.0° |
| CAM | CAJ | HAJ | 119.9° | 120.0° |
| CAJ | CAM | HAM | 120.2° | 120.0° |
| CAK | CAN | CBD | 120.1° | 120.0° |
| CAN | CAK | HAK | 120.1° | 120.0° |
| CAK | CAN | HAN | 120.0° | 120.0° |
| CAO | CAL | CAY | 120.0° | 120.0° |
| CAL | CAO | CBC | 120.2° | 120.0° |
| CAO | CAL | HAL | 120.0° | 120.0° |
| CAL | CAO | HAO | 119.9° | 120.0° |
| CAL | CAY | CAQ | 119.9° | 119.9° |
| CAY | CAL | HAL | 120.0° | 120.0° |
| CAM | CBD | CAN | 120.3° | 120.0° |
| CAM | CBD | SBJ | 121.0° | 120.0° |
| CBD | CAM | HAM | 120.2° | 120.0° |
| CAN | CBD | SBJ | 118.7° | 120.0° |
| CBD | CAN | HAN | 120.0° | 120.0° |
| CAO | CBC | CAT | 118.2° | 120.0° |
| CAO | CBC | CBB | 119.9° | 120.0° |
| CBC | CAO | HAO | 119.9° | 120.0° |
| NAV | CAP | CAZ | 120.5° | 121.6° |
| CAP | NAV | CBH | 120.8° | 121.7° |
| NAV | CAP | HAP | 119.8° | 119.2° |
| CAP | CAZ | CAR | 118.8° | 119.4° |
| CAP | CAZ | CAS | 117.7° | 120.3° |
| CAZ | CAP | HAP | 119.8° | 119.2° |
| CAY | CAQ | CBB | 120.1° | 120.0° |
| CAY | CAQ | HAQ | 120.0° | 120.0° |
| CAQ | CBB | CBC | 119.9° | 120.0° |
| CBB | CAQ | HAQ | 119.9° | 120.0° |
| CAZ | CAR | CBG | 119.3° | 118.0° |
| CAR | CAZ | CAS | 123.4° | 120.3° |
| CAZ | CAR | HAR | 120.4° | 121.0° |
| CAR | CBG | CBA | 122.4° | 121.2° |
| CAR | CBG | CBH | 120.6° | 119.5° |
| CBG | CAR | HAR | 120.3° | 121.0° |
| CAU | CAS | CAZ | 115.9° | 109.5° |
| CAS | CAU | SBJ | 112.4° | 109.5° |
| CAU | CAS | HAS | 107.9° | 109.5° |
| CAU | CAS | HASA | 107.8° | 109.4° |
| CAS | CAU | HAU | 108.7° | 109.5° |
| CAS | CAU | HAUA | 108.7° | 109.5° |
| CAZ | CAS | HAS | 107.8° | 109.5° |
| CAZ | CAS | HASA | 107.9° | 109.5° |
| NAW | CAT | CBC | 114.7° | 109.5° |
| CAT | NAW | CAX | 120.3° | 120.0° |
| NAW | CAT | HAT | 108.1° | 109.5° |
| NAW | CAT | HATA | 108.2° | 109.5° |
| CAT | NAW | HNAW | 119.8° | 120.0° |
| CAT | CBC | CBB | 121.9° | 120.0° |
| CBC | CAT | HAT | 108.1° | 109.5° |
| CBC | CAT | HATA | 108.2° | 109.5° |
| CAU | SBJ | CBD | 108.2° | 104.5° |
| SBJ | CAU | HAU | 108.7° | 109.4° |
| SBJ | CAU | HAUA | 108.7° | 109.5° |
| NAV | CBH | CBG | 120.0° | 119.8° |
| NAV | CBH | NBI | 119.0° | 120.4° |
| NAW | CAX | CBE | 117.1° | 120.0° |
| CAX | NAW | HNAW | 119.8° | 120.0° |
| CAX | CBE | CBA | 120.4° | 120.3° |
| CAX | CBE | CBF | 121.6° | 120.3° |
| CBE | CBA | CBG | 121.8° | 118.0° |
| CBA | CBE | CBF | 118.0° | 119.3° |
| CBA | CBG | CBH | 117.0° | 119.4° |
| CBE | CBF | NBI | 120.0° | 121.7° |
| CBF | NBI | CBH | 122.2° | 121.8° |
| CBG | CBH | NBI | 121.0° | 119.8° |
| HNAA | NAA | HNAB | 109.5° | 120.0° |
| HAS | CAS | HASA | 109.4° | 109.5° |
| HAT | CAT | HATA | 109.5° | 109.5° |
| HAU | CAU | HAUA | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CBA | CBG | CAR | 1.0° | 0.1° |
| NAA | CBA | CBE | CAX | 1.2° | 0.0° |
| NAA | CBA | CBE | CBG | 178.0° | 180.0° |
| NAA | CBA | CBE | CBF | 179.6° | 180.0° |
| NAA | CBA | CBG | CBH | 179.4° | 180.0° |
| CBA | NAA | HNAA | HNAB | 120.0° | 179.7° |
| OAB | CAX | NAW | CAT | 4.5° | 5.5° |
| OAB | CAX | NAW | CBE | 175.4° | 180.0° |
| OAB | CAX | CBE | CBA | 7.0° | 6.8° |
| OAB | CAX | CBE | CBF | 172.2° | 173.2° |
| OAB | CAX | NAW | HNAW | 175.5° | 174.6° |
| OAC | CBF | NBI | OAF | 0.1° | 0.0° |
| OAC | CBF | CBE | CAX | 0.0° | 0.0° |
| OAC | CBF | CBE | CBA | 179.2° | 180.0° |
| OAC | CBF | CBE | NBI | 179.9° | 179.9° |
| OAC | CBF | NBI | CBH | 180.0° | 179.9° |
| OAD | SBJ | OAE | CAU | 120.1° | 131.5° |
| OAD | SBJ | OAE | CBD | 121.2° | 116.8° |
| OAD | SBJ | CBD | CAM | 2.2° | 26.1° |
| OAD | SBJ | CBD | CAN | 179.1° | 153.9° |
| OAD | SBJ | CAU | CAS | 48.3° | 68.3° |
| OAD | SBJ | CAU | CBD | 120.0° | 111.7° |
| OAD | SBJ | CAU | HAU | 168.7° | 171.7° |
| OAD | SBJ | CAU | HAUA | 72.1° | 51.7° |
| OAE | SBJ | CBD | CAM | 123.0° | 153.9° |
| OAE | SBJ | CBD | CAN | 58.2° | 26.1° |
| OAE | SBJ | CAU | CAS | 168.5° | 68.3° |
| OAE | SBJ | CAU | CBD | 119.7° | 111.6° |
| OAE | SBJ | CAU | HAU | 71.0° | 51.7° |
| OAE | SBJ | CAU | HAUA | 48.1° | 171.6° |
| OAF | NBI | CBH | NAV | 0.0° | 0.1° |
| OAF | NBI | CBF | CBE | 179.8° | 179.9° |
| OAF | NBI | CBF | CBH | 180.0° | 180.0° |
| OAF | NBI | CBH | CBG | 180.0° | 180.0° |
| FAG | CAY | CAL | CAO | 179.9° | 180.0° |
| FAG | CAY | CAL | CAQ | 179.9° | 180.0° |
| FAG | CAY | CAQ | CBB | 180.0° | 179.9° |
| FAG | CAY | CAL | HAL | 0.1° | 0.3° |
| FAG | CAY | CAQ | HAQ | 0.1° | 0.1° |
| FAH | CBB | CBC | CAO | 179.5° | 180.0° |
| FAH | CBB | CAQ | CAY | 179.9° | 180.0° |
| FAH | CBB | CAQ | CBC | 179.9° | 179.9° |
| FAH | CBB | CBC | CAT | 0.2° | 0.0° |
| FAH | CBB | CAQ | HAQ | 0.0° | 0.1° |
| CAJ | CAI | CAK | HAI | 180.0° | 179.5° |
| CAI | CAJ | CAM | HAJ | 180.0° | 179.9° |
| CAJ | CAI | CAK | CAN | 0.0° | 0.1° |
| CAI | CAJ | CAM | CBD | 0.3° | 0.0° |
| CAJ | CAI | CAK | HAK | 180.0° | 179.9° |
| CAI | CAJ | CAM | HAM | 179.7° | 179.9° |
| CAK | CAI | CAJ | CAM | 0.0° | 0.1° |
| CAI | CAK | CAN | HAK | 180.0° | 179.9° |
| CAI | CAK | CAN | CBD | 0.4° | 0.0° |
| CAK | CAI | CAJ | HAJ | 180.0° | 180.0° |
| CAI | CAK | CAN | HAN | 179.5° | 179.9° |
| CAJ | CAM | CBD | HAM | 180.0° | 179.9° |
| CAJ | CAM | CBD | CAN | 0.7° | 0.1° |
| CAJ | CAM | CBD | SBJ | 179.4° | 179.9° |
| CAM | CAJ | CAI | HAI | 179.9° | 179.6° |
| CAK | CAN | CBD | CAM | 0.8° | 0.1° |
| CAK | CAN | CBD | HAN | 180.0° | 179.9° |
| CAK | CAN | CBD | SBJ | 179.5° | 179.9° |
| CAN | CAK | CAI | HAI | 180.0° | 179.6° |
| CAO | CAL | CAY | HAL | 180.0° | 179.6° |
| CAL | CAO | CBC | HAO | 180.0° | 179.9° |
| CAO | CAL | CAY | CAQ | 0.1° | 0.1° |
| CAL | CAO | CBC | CAT | 179.9° | 180.0° |
| CAL | CAO | CBC | CBB | 0.7° | 0.0° |
| CAY | CAL | CAO | CBC | 0.5° | 0.1° |
| CAL | CAY | CAQ | CBB | 0.1° | 0.0° |
| CAY | CAL | CAO | HAO | 179.5° | 180.0° |
| CAL | CAY | CAQ | HAQ | 179.9° | 179.9° |
| CAM | CBD | CAN | SBJ | 178.7° | 180.0° |
| CAM | CBD | SBJ | CAU | 117.3° | 90.0° |
| CBD | CAM | CAJ | HAJ | 179.7° | 179.9° |
| CAM | CBD | CAN | HAN | 179.2° | 180.0° |
| CAN | CBD | SBJ | CAU | 61.4° | 90.0° |
| CBD | CAN | CAK | HAK | 179.6° | 180.0° |
| CAN | CBD | CAM | HAM | 179.3° | 180.0° |
| CAO | CBC | CBB | CAQ | 0.5° | 0.0° |
| CAO | CBC | CAT | NAW | 130.1° | 105.0° |
| CAO | CBC | CAT | CBB | 179.3° | 180.0° |
| CBC | CAO | CAL | HAL | 179.5° | 179.7° |
| CAO | CBC | CAT | HAT | 109.2° | 15.0° |
| CAO | CBC | CAT | HATA | 9.3° | 135.0° |
| NAV | CAP | CAZ | HAP | 180.0° | 179.8° |
| NAV | CAP | CAZ | CAR | 0.9° | 0.0° |
| NAV | CAP | CAZ | CAS | 179.6° | 180.0° |
| CAP | NAV | CBH | CBG | 0.0° | 0.1° |
| CAP | NAV | CBH | NBI | 179.9° | 180.0° |
| CAP | CAZ | CAR | CAS | 178.6° | 179.9° |
| CAP | CAZ | CAR | CBG | 1.0° | 0.1° |
| CAP | CAZ | CAS | CAU | 123.4° | 90.1° |
| CAZ | CAP | NAV | CBH | 0.4° | 0.0° |
| CAP | CAZ | CAR | HAR | 178.9° | 180.0° |
| CAP | CAZ | CAS | HAS | 2.5° | 29.9° |
| CAP | CAZ | CAS | HASA | 115.6° | 150.0° |
| CAY | CAQ | CBB | HAQ | 180.0° | 179.9° |
| CAY | CAQ | CBB | CBC | 0.1° | 0.1° |
| CAQ | CAY | CAL | HAL | 179.9° | 179.7° |
| CAQ | CBB | CBC | CAT | 179.9° | 179.9° |
| CAZ | CAR | CBG | HAR | 180.0° | 180.0° |
| CAR | CAZ | CAS | CAU | 57.9° | 90.0° |
| CAZ | CAR | CBG | CBA | 178.9° | 180.0° |
| CAZ | CAR | CBG | CBH | 0.7° | 0.1° |
| CAR | CAZ | CAP | HAP | 179.1° | 179.7° |
| CAR | CAZ | CAS | HAS | 178.9° | 150.0° |
| CAR | CAZ | CAS | HASA | 63.0° | 30.0° |
| CBG | CAR | CAZ | CAS | 179.7° | 180.0° |
| CAR | CBG | CBH | NAV | 0.1° | 0.1° |
| CAR | CBG | CBA | CBE | 179.0° | 179.9° |
| CAR | CBG | CBA | CBH | 179.6° | 179.9° |
| CAR | CBG | CBH | NBI | 179.8° | 180.0° |
| CAU | CAS | CAZ | HAS | 120.9° | 120.0° |
| CAU | CAS | CAZ | HASA | 120.9° | 120.0° |
| CAS | CAU | SBJ | HAU | 120.4° | 120.0° |
| CAS | CAU | SBJ | HAUA | 120.4° | 120.1° |
| CAS | CAU | SBJ | CBD | 71.7° | 180.0° |
| CAU | CAS | HAS | HASA | 117.1° | 120.0° |
| CAS | CAU | HAU | HAUA | 118.6° | 120.0° |
| CAZ | CAS | CAU | SBJ | 59.1° | 180.0° |
| CAS | CAZ | CAP | HAP | 0.4° | 0.2° |
| CAS | CAZ | CAR | HAR | 0.3° | 0.0° |
| CAZ | CAS | HAS | HASA | 117.1° | 120.0° |
| CAZ | CAS | CAU | HAU | 61.4° | 60.0° |
| CAZ | CAS | CAU | HAUA | 179.5° | 60.0° |
| NAW | CAT | CBC | HAT | 120.8° | 120.0° |
| NAW | CAT | CBC | HATA | 120.8° | 120.0° |
| CAT | NAW | CAX | HNAW | 180.0° | 180.0° |
| CAT | NAW | CAX | CBE | 180.0° | 174.6° |
| NAW | CAT | CBC | CBB | 50.6° | 75.0° |
| NAW | CAT | HAT | HATA | 117.6° | 120.0° |
| CBC | CAT | NAW | CAX | 121.9° | 180.0° |
| CAT | CBC | CAO | HAO | 0.1° | 0.1° |
| CBC | CAT | HAT | HATA | 117.6° | 120.0° |
| CBC | CAT | NAW | HNAW | 58.1° | 0.0° |
| SBJ | CAU | CAS | HAS | 61.9° | 60.0° |
| SBJ | CAU | CAS | HASA | 180.0° | 60.0° |
| SBJ | CAU | HAU | HAUA | 118.7° | 120.0° |
| NAV | CBH | CBG | CBA | 179.5° | 180.0° |
| NAV | CBH | NBI | CBF | 179.9° | 180.0° |
| NAV | CBH | CBG | NBI | 179.9° | 179.9° |
| CBH | NAV | CAP | HAP | 179.6° | 179.7° |
| NAW | CAX | CBE | CBA | 177.4° | 173.2° |
| NAW | CAX | CBE | CBF | 3.4° | 6.8° |
| CAX | NAW | CAT | HAT | 117.3° | 60.0° |
| CAX | NAW | CAT | HATA | 1.1° | 60.0° |
| CAX | CBE | CBA | CBF | 179.2° | 180.0° |
| CAX | CBE | CBA | CBG | 179.2° | 180.0° |
| CAX | CBE | CBF | NBI | 179.9° | 179.9° |
| CBE | CAX | NAW | HNAW | 0.1° | 5.4° |
| CBA | CBE | CBF | NBI | 0.9° | 0.1° |
| CBE | CBA | CBG | CBH | 1.4° | 0.0° |
| CBE | CBA | NAA | HNAA | 180.0° | 5.3° |
| CBE | CBA | NAA | HNAB | 60.0° | 174.5° |
| CBG | CBA | CBE | CBF | 1.5° | 0.0° |
| CBA | CBG | CBH | NBI | 0.6° | 0.0° |
| CBG | CBA | NAA | HNAA | 1.9° | 174.7° |
| CBG | CBA | NAA | HNAB | 121.9° | 5.6° |
| CBA | CBG | CAR | HAR | 1.1° | 0.0° |
| CBB | CBC | CAO | HAO | 179.3° | 180.0° |
| CBC | CBB | CAQ | HAQ | 179.9° | 180.0° |
| CBB | CBC | CAT | HAT | 70.2° | 165.0° |
| CBB | CBC | CAT | HATA | 171.4° | 45.0° |
| SBJ | CBD | CAM | HAM | 0.6° | 0.0° |
| SBJ | CBD | CAN | HAN | 0.5° | 0.0° |
| CBD | SBJ | CAU | HAU | 48.7° | 60.0° |
| CBD | SBJ | CAU | HAUA | 167.9° | 60.0° |
| CBE | CBF | NBI | CBH | 0.2° | 0.0° |
| CBF | NBI | CBH | CBG | 0.0° | 0.0° |
| CBF | NBI | OAF | HOAF | 0.0° | 0.0° |
| CBH | CBG | CAR | HAR | 179.3° | 180.0° |
| CBH | NBI | OAF | HOAF | 180.0° | 180.0° |
| HAI | CAI | CAJ | HAJ | 0.1° | 0.5° |
| HAI | CAI | CAK | HAK | 0.0° | 0.4° |
| HAJ | CAJ | CAM | HAM | 0.3° | 0.0° |
| HAK | CAK | CAN | HAN | 0.4° | 0.1° |
| HAL | CAL | CAO | HAO | 0.5° | 0.4° |
| HAS | CAS | CAU | HAU | 177.7° | 60.0° |
| HAS | CAS | CAU | HAUA | 58.6° | 180.0° |
| HASA | CAS | CAU | HAU | 59.6° | 180.0° |
| HASA | CAS | CAU | HAUA | 59.5° | 60.0° |
| HAT | CAT | NAW | HNAW | 62.6° | 120.0° |
| HATA | CAT | NAW | HNAW | 178.9° | 120.0° |
