RLL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CBE | sing | 1.53Å | 1.53Å | |
| NAB | CAI | trip | 1.14Å | 1.14Å | |
| NAC | CAJ | trip | 1.14Å | 1.14Å | |
| OAD | CAW | doub | 1.21Å | 1.23Å | |
| OAE | CBE | sing | 1.43Å | 1.43Å | |
| FAF | CBF | sing | 1.40Å | 1.33Å | |
| FAG | CBF | sing | 1.40Å | 1.33Å | |
| FAH | CBF | sing | 1.40Å | 1.33Å | |
| CAI | CAY | sing | 1.43Å | 1.43Å | |
| CAJ | CAZ | sing | 1.43Å | 1.43Å | |
| CAK | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | CAQ | sing | 1.36Å | 1.39Å | Aromatic |
| CAL | CAR | sing | 1.36Å | 1.39Å | Aromatic |
| CAM | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAX | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAY | sing | 1.40Å | 1.39Å | Aromatic |
| CAO | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | CBA | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CBC | doub | 1.40Å | 1.39Å | Aromatic |
| CAR | CBD | doub | 1.40Å | 1.39Å | Aromatic |
| CAS | CAX | doub | 1.39Å | 1.39Å | Aromatic |
| CAS | CBB | sing | 1.38Å | 1.39Å | Aromatic |
| CAT | OAV | sing | 1.43Å | 1.44Å | |
| CAT | CBE | sing | 1.53Å | 1.52Å | |
| NAU | CAW | sing | 1.35Å | 1.33Å | |
| NAU | CAX | sing | 1.39Å | 1.33Å | |
| OAV | CBA | sing | 1.36Å | 1.36Å | |
| CAW | CBE | sing | 1.51Å | 1.53Å | |
| CAY | CBB | doub | 1.40Å | 1.39Å | Aromatic |
| CAZ | CBC | sing | 1.46Å | 1.39Å | Aromatic |
| CBA | CBD | sing | 1.41Å | 1.39Å | Aromatic |
| CBB | CBF | sing | 1.51Å | 1.53Å | |
| CBC | CBD | sing | 1.41Å | 1.39Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| 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 | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | HATA | sing | 1.09Å | 1.10Å | |
| NAU | HNAU | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CBE | OAE | 110.8° | 109.5° |
| CAA | CBE | CAT | 110.3° | 109.5° |
| CAA | CBE | CAW | 110.7° | 109.5° |
| CBE | CAA | HAA | 109.5° | 109.4° |
| CBE | CAA | HAAA | 109.4° | 109.5° |
| CBE | CAA | HAAB | 109.5° | 109.5° |
| NAB | CAI | CAY | 179.5° | 180.0° |
| NAC | CAJ | CAZ | 179.5° | 180.0° |
| OAD | CAW | NAU | 125.7° | 120.0° |
| OAD | CAW | CBE | 121.2° | 120.0° |
| OAE | CBE | CAT | 108.9° | 109.5° |
| OAE | CBE | CAW | 108.7° | 109.4° |
| CBE | OAE | HOAE | 109.5° | 114.0° |
| FAF | CBF | FAG | 108.4° | 109.5° |
| FAF | CBF | FAH | 107.6° | 109.4° |
| FAF | CBF | CBB | 110.4° | 109.5° |
| FAG | CBF | FAH | 108.8° | 109.4° |
| FAG | CBF | CBB | 109.5° | 109.5° |
| FAH | CBF | CBB | 112.0° | 109.5° |
| CAI | CAY | CAN | 117.5° | 120.1° |
| CAI | CAY | CBB | 122.4° | 120.1° |
| CAJ | CAZ | CAO | 119.2° | 120.6° |
| CAJ | CAZ | CBC | 120.8° | 120.6° |
| CAL | CAK | CAQ | 119.9° | 120.8° |
| CAK | CAL | CAR | 119.9° | 121.0° |
| CAL | CAK | HAK | 120.0° | 119.6° |
| CAK | CAL | HAL | 120.1° | 119.5° |
| CAK | CAQ | CBC | 120.3° | 119.7° |
| CAQ | CAK | HAK | 120.0° | 119.6° |
| CAK | CAQ | HAQ | 119.9° | 120.1° |
| CAL | CAR | CBD | 120.2° | 119.6° |
| CAR | CAL | HAL | 120.1° | 119.5° |
| CAL | CAR | HAR | 119.9° | 120.2° |
| CAN | CAM | CAX | 120.1° | 120.1° |
| CAM | CAN | CAY | 120.4° | 119.9° |
| CAN | CAM | HAM | 119.9° | 120.0° |
| CAM | CAN | HAN | 119.8° | 120.1° |
| CAM | CAX | CAS | 119.3° | 120.1° |
| CAM | CAX | NAU | 117.1° | 119.9° |
| CAX | CAM | HAM | 120.0° | 119.9° |
| CAN | CAY | CBB | 120.1° | 119.8° |
| CAY | CAN | HAN | 119.8° | 120.0° |
| CAP | CAO | CAZ | 120.1° | 120.7° |
| CAO | CAP | CBA | 119.9° | 121.6° |
| CAP | CAO | HAO | 119.9° | 119.7° |
| CAO | CAP | HAP | 120.1° | 119.2° |
| CAO | CAZ | CBC | 120.0° | 118.8° |
| CAZ | CAO | HAO | 120.0° | 119.6° |
| CAP | CBA | OAV | 121.0° | 119.7° |
| CAP | CBA | CBD | 120.1° | 120.5° |
| CBA | CAP | HAP | 120.1° | 119.2° |
| CAQ | CBC | CAZ | 120.6° | 121.4° |
| CAQ | CBC | CBD | 119.7° | 119.5° |
| CBC | CAQ | HAQ | 119.8° | 120.2° |
| CAR | CBD | CBA | 119.7° | 121.3° |
| CAR | CBD | CBC | 120.1° | 119.4° |
| CBD | CAR | HAR | 119.9° | 120.2° |
| CAX | CAS | CBB | 121.0° | 120.1° |
| CAS | CAX | NAU | 123.4° | 119.9° |
| CAX | CAS | HAS | 119.5° | 119.9° |
| CAS | CBB | CAY | 119.1° | 120.0° |
| CAS | CBB | CBF | 119.5° | 120.0° |
| CBB | CAS | HAS | 119.5° | 120.0° |
| OAV | CAT | CBE | 105.8° | 109.5° |
| CAT | OAV | CBA | 112.3° | 117.0° |
| OAV | CAT | HAT | 110.7° | 109.5° |
| OAV | CAT | HATA | 110.7° | 109.5° |
| CAT | CBE | CAW | 107.4° | 109.5° |
| CBE | CAT | HAT | 110.7° | 109.5° |
| CBE | CAT | HATA | 110.7° | 109.5° |
| CAW | NAU | CAX | 126.5° | 120.1° |
| NAU | CAW | CBE | 113.1° | 120.1° |
| CAW | NAU | HNAU | 116.8° | 120.0° |
| CAX | NAU | HNAU | 116.8° | 120.0° |
| OAV | CBA | CBD | 118.9° | 119.8° |
| CAY | CBB | CBF | 121.4° | 120.0° |
| CAZ | CBC | CBD | 119.8° | 119.0° |
| CBA | CBD | CBC | 120.2° | 119.4° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| HAT | CAT | HATA | 108.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CBE | CAW | OAD | 43.0° | 95.0° |
| CAA | CBE | OAE | CAT | 121.4° | 120.0° |
| CAA | CBE | OAE | CAW | 121.8° | 120.0° |
| CAA | CBE | CAT | OAV | 174.5° | 60.0° |
| CAA | CBE | CAT | CAW | 120.7° | 120.0° |
| CAA | CBE | CAW | NAU | 138.1° | 85.0° |
| CBE | CAA | HAA | HAAA | 120.0° | 120.0° |
| CBE | CAA | HAA | HAAB | 120.0° | 120.0° |
| CBE | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CBE | OAE | HOAE | 180.0° | 180.0° |
| CAA | CBE | CAT | HAT | 65.5° | 60.0° |
| CAA | CBE | CAT | HATA | 54.5° | 180.0° |
| NAB | CAI | CAY | CAN | 20.4° | 169.3° |
| NAB | CAI | CAY | CBB | 160.5° | 10.8° |
| NAC | CAJ | CAZ | CAO | 14.6° | 93.3° |
| NAC | CAJ | CAZ | CBC | 164.8° | 86.7° |
| OAD | CAW | CBE | OAE | 164.9° | 145.0° |
| OAD | CAW | CBE | CAT | 77.4° | 25.0° |
| OAD | CAW | NAU | CBE | 178.9° | 180.0° |
| OAD | CAW | NAU | CAX | 0.0° | 5.3° |
| OAD | CAW | NAU | HNAU | 180.0° | 174.7° |
| OAE | CBE | CAT | OAV | 63.8° | 60.0° |
| OAE | CBE | CAT | CAW | 117.6° | 120.0° |
| OAE | CBE | CAW | NAU | 16.2° | 35.0° |
| OAE | CBE | CAA | HAA | 180.0° | 60.0° |
| OAE | CBE | CAA | HAAA | 60.0° | 180.0° |
| OAE | CBE | CAA | HAAB | 60.0° | 60.0° |
| OAE | CBE | CAT | HAT | 56.2° | 180.0° |
| OAE | CBE | CAT | HATA | 176.3° | 60.0° |
| FAF | CBF | FAG | FAH | 116.8° | 120.0° |
| FAF | CBF | FAG | CBB | 120.5° | 120.0° |
| FAF | CBF | FAH | CBB | 121.5° | 120.0° |
| FAF | CBF | CBB | CAS | 14.9° | 0.1° |
| FAF | CBF | CBB | CAY | 166.5° | 180.0° |
| FAG | CBF | FAH | CBB | 121.2° | 120.0° |
| FAG | CBF | CBB | CAS | 104.5° | 120.0° |
| FAG | CBF | CBB | CAY | 74.2° | 59.9° |
| FAH | CBF | CBB | CAS | 134.8° | 120.0° |
| FAH | CBF | CBB | CAY | 46.6° | 60.1° |
| CAI | CAY | CAN | CAM | 179.0° | 180.0° |
| CAI | CAY | CAN | CBB | 179.1° | 179.9° |
| CAI | CAY | CBB | CAS | 179.0° | 180.0° |
| CAI | CAY | CBB | CBF | 0.4° | 0.1° |
| CAI | CAY | CAN | HAN | 1.0° | 0.1° |
| CAJ | CAZ | CAO | CAP | 179.3° | 180.0° |
| CAJ | CAZ | CAO | CBC | 179.5° | 180.0° |
| CAJ | CAZ | CBC | CAQ | 0.0° | 0.0° |
| CAJ | CAZ | CBC | CBD | 179.5° | 180.0° |
| CAJ | CAZ | CAO | HAO | 0.6° | 0.0° |
| CAL | CAK | CAQ | HAK | 180.0° | 179.7° |
| CAK | CAL | CAR | HAL | 180.0° | 180.0° |
| CAL | CAK | CAQ | CBC | 0.1° | 0.0° |
| CAK | CAL | CAR | CBD | 0.0° | 0.0° |
| CAL | CAK | CAQ | HAQ | 180.0° | 180.0° |
| CAK | CAL | CAR | HAR | 180.0° | 180.0° |
| CAQ | CAK | CAL | CAR | 0.0° | 0.0° |
| CAK | CAQ | CBC | HAQ | 180.0° | 179.9° |
| CAK | CAQ | CBC | CAZ | 179.5° | 180.0° |
| CAK | CAQ | CBC | CBD | 0.1° | 0.0° |
| CAQ | CAK | CAL | HAL | 180.0° | 180.0° |
| CAL | CAR | CBD | HAR | 180.0° | 180.0° |
| CAL | CAR | CBD | CBA | 179.3° | 180.0° |
| CAL | CAR | CBD | CBC | 0.1° | 0.0° |
| CAR | CAL | CAK | HAK | 180.0° | 179.7° |
| CAN | CAM | CAX | HAM | 180.0° | 179.7° |
| CAM | CAN | CAY | HAN | 180.0° | 180.0° |
| CAN | CAM | CAX | CAS | 0.3° | 0.0° |
| CAN | CAM | CAX | NAU | 175.5° | 180.0° |
| CAM | CAN | CAY | CBB | 0.2° | 0.1° |
| CAX | CAM | CAN | CAY | 0.0° | 0.0° |
| CAM | CAX | CAS | NAU | 175.5° | 180.0° |
| CAM | CAX | CAS | CBB | 0.4° | 0.0° |
| CAM | CAX | NAU | CAW | 179.8° | 33.6° |
| CAX | CAM | CAN | HAN | 179.9° | 180.0° |
| CAM | CAX | CAS | HAS | 179.6° | 180.0° |
| CAM | CAX | NAU | HNAU | 0.2° | 146.5° |
| CAN | CAY | CBB | CAS | 0.1° | 0.1° |
| CAN | CAY | CBB | CBF | 178.7° | 180.0° |
| CAY | CAN | CAM | HAM | 180.0° | 179.7° |
| CAP | CAO | CAZ | HAO | 180.0° | 180.0° |
| CAO | CAP | CBA | HAP | 180.0° | 180.0° |
| CAO | CAP | CBA | OAV | 178.6° | 180.0° |
| CAP | CAO | CAZ | CBC | 0.1° | 0.0° |
| CAO | CAP | CBA | CBD | 0.0° | 0.0° |
| CAZ | CAO | CAP | CBA | 0.2° | 0.0° |
| CAO | CAZ | CBC | CAQ | 179.4° | 180.0° |
| CAO | CAZ | CBC | CBD | 0.0° | 0.0° |
| CAZ | CAO | CAP | HAP | 179.9° | 180.0° |
| CAP | CBA | CBD | CAR | 179.5° | 180.0° |
| CAP | CBA | OAV | CAT | 39.5° | 0.0° |
| CAP | CBA | OAV | CBD | 178.7° | 180.0° |
| CAP | CBA | CBD | CBC | 0.1° | 0.0° |
| CBA | CAP | CAO | HAO | 179.9° | 180.0° |
| CAQ | CBC | CBD | CAR | 0.1° | 0.0° |
| CAQ | CBC | CAZ | CBD | 179.5° | 180.0° |
| CAQ | CBC | CBD | CBA | 179.3° | 180.0° |
| CBC | CAQ | CAK | HAK | 179.9° | 179.7° |
| CAR | CBD | CBA | OAV | 1.8° | 0.0° |
| CAR | CBD | CBC | CAZ | 179.6° | 180.0° |
| CAR | CBD | CBA | CBC | 179.4° | 180.0° |
| CBD | CAR | CAL | HAL | 180.0° | 180.0° |
| CAX | CAS | CBB | HAS | 180.0° | 180.0° |
| CAS | CAX | NAU | CAW | 4.6° | 146.4° |
| CAX | CAS | CBB | CAY | 0.2° | 0.1° |
| CAX | CAS | CBB | CBF | 178.5° | 180.0° |
| CAS | CAX | CAM | HAM | 179.7° | 179.7° |
| CAS | CAX | NAU | HNAU | 175.4° | 33.5° |
| CBB | CAS | CAX | NAU | 175.1° | 180.0° |
| CAS | CBB | CAY | CBF | 178.6° | 179.9° |
| OAV | CAT | CBE | HAT | 120.0° | 120.0° |
| OAV | CAT | CBE | HATA | 120.0° | 120.0° |
| OAV | CAT | CBE | CAW | 53.8° | 180.0° |
| CAT | OAV | CBA | CBD | 141.8° | 180.0° |
| OAV | CAT | HAT | HATA | 121.5° | 120.0° |
| CAT | CBE | CAW | NAU | 101.5° | 155.0° |
| CBE | CAT | OAV | CBA | 149.6° | 180.0° |
| CAT | CBE | CAA | HAA | 59.4° | 60.0° |
| CAT | CBE | CAA | HAAA | 179.4° | 60.0° |
| CAT | CBE | CAA | HAAB | 60.6° | 180.0° |
| CAT | CBE | OAE | HOAE | 58.6° | 60.0° |
| CBE | CAT | HAT | HATA | 121.5° | 120.0° |
| CAW | NAU | CAX | HNAU | 180.0° | 179.9° |
| CAX | NAU | CAW | CBE | 178.9° | 174.7° |
| NAU | CAX | CAM | HAM | 4.5° | 0.3° |
| NAU | CAX | CAS | HAS | 4.9° | 0.0° |
| OAV | CBA | CBD | CBC | 178.8° | 180.0° |
| OAV | CBA | CAP | HAP | 1.4° | 0.0° |
| CBA | OAV | CAT | HAT | 90.4° | 60.0° |
| CBA | OAV | CAT | HATA | 29.6° | 60.0° |
| CAW | CBE | CAA | HAA | 59.3° | 180.0° |
| CAW | CBE | CAA | HAAA | 60.7° | 60.0° |
| CAW | CBE | CAA | HAAB | 179.3° | 60.0° |
| CAW | CBE | OAE | HOAE | 58.2° | 60.0° |
| CAW | CBE | CAT | HAT | 173.8° | 60.0° |
| CAW | CBE | CAT | HATA | 66.2° | 60.0° |
| CBE | CAW | NAU | HNAU | 1.1° | 5.3° |
| CBB | CAY | CAN | HAN | 179.9° | 180.0° |
| CAY | CBB | CAS | HAS | 179.8° | 179.9° |
| CAZ | CBC | CBD | CBA | 0.2° | 0.0° |
| CBC | CAZ | CAO | HAO | 179.9° | 180.0° |
| CAZ | CBC | CAQ | HAQ | 0.5° | 0.1° |
| CBD | CBA | CAP | HAP | 180.0° | 180.0° |
| CBA | CBD | CAR | HAR | 0.7° | 0.0° |
| CBF | CBB | CAS | HAS | 1.5° | 0.0° |
| CBD | CBC | CAQ | HAQ | 179.9° | 180.0° |
| CBC | CBD | CAR | HAR | 179.9° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAK | CAK | CAL | HAL | 0.0° | 0.3° |
| HAK | CAK | CAQ | HAQ | 0.1° | 0.3° |
| HAL | CAL | CAR | HAR | 0.0° | 0.0° |
| HAM | CAM | CAN | HAN | 0.1° | 0.3° |
| HAO | CAO | CAP | HAP | 0.1° | 0.0° |
