1CT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAS | doub | 1.21Å | 1.24Å | |
| OAB | PAY | doub | 1.48Å | 1.52Å | |
| PAY | OAC | sing | 1.61Å | 1.60Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| PAY | OAD | sing | 1.61Å | 1.54Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAX | FAE | sing | 1.40Å | 1.32Å | |
| FAF | CAX | sing | 1.40Å | 1.30Å | |
| CAX | FAG | sing | 1.40Å | 1.34Å | |
| CAL | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAM | CAI | doub | 1.38Å | 1.42Å | Aromatic |
| CAI | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAN | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAO | doub | 1.38Å | 1.43Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAU | sing | 1.39Å | 1.41Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAV | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAW | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| OAR | CAP | sing | 1.43Å | 1.51Å | |
| CAP | CAS | sing | 1.51Å | 1.55Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAS | NAQ | sing | 1.35Å | 1.34Å | |
| NAQ | CAT | sing | 1.40Å | 1.37Å | |
| NAQ | HNAQ | sing | 0.97Å | 1.00Å | |
| OAR | CAU | sing | 1.36Å | 1.38Å | |
| CAT | CAV | doub | 1.39Å | 1.41Å | Aromatic |
| CAU | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | CAX | sing | 1.51Å | 1.53Å | |
| PAY | CAW | sing | 1.81Å | 1.85Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAS | CAP | 119.5° | 120.0° |
| OAA | CAS | NAQ | 122.4° | 120.0° |
| OAB | PAY | OAC | 112.0° | 109.5° |
| OAB | PAY | OAD | 118.1° | 109.5° |
| OAB | PAY | CAW | 107.4° | 109.5° |
| PAY | OAC | HOAC | 109.5° | 114.0° |
| OAC | PAY | OAD | 104.8° | 109.5° |
| OAC | PAY | CAW | 106.8° | 109.5° |
| PAY | OAD | HOAD | 109.5° | 114.0° |
| OAD | PAY | CAW | 107.1° | 109.4° |
| FAE | CAX | FAF | 106.3° | 109.5° |
| FAE | CAX | FAG | 108.4° | 109.5° |
| FAE | CAX | CAV | 112.0° | 109.5° |
| FAF | CAX | FAG | 110.4° | 109.5° |
| FAF | CAX | CAV | 105.5° | 109.4° |
| FAG | CAX | CAV | 113.8° | 109.5° |
| CAL | CAH | CAJ | 119.0° | 120.1° |
| CAL | CAH | HAH | 120.5° | 119.9° |
| CAH | CAL | CAT | 120.0° | 119.9° |
| CAH | CAL | HAL | 120.0° | 120.0° |
| CAJ | CAH | HAH | 120.5° | 120.0° |
| CAH | CAJ | CAN | 121.6° | 120.1° |
| CAH | CAJ | HAJ | 119.2° | 119.9° |
| CAM | CAI | CAK | 121.6° | 120.0° |
| CAM | CAI | HAI | 119.2° | 120.0° |
| CAI | CAM | CAU | 116.6° | 120.0° |
| CAI | CAM | HAM | 121.7° | 120.0° |
| CAK | CAI | HAI | 119.2° | 120.0° |
| CAI | CAK | CAO | 121.0° | 120.2° |
| CAI | CAK | HAK | 119.5° | 119.9° |
| CAN | CAJ | HAJ | 119.2° | 119.9° |
| CAJ | CAN | CAV | 119.7° | 120.1° |
| CAJ | CAN | HAN | 120.2° | 120.0° |
| CAO | CAK | HAK | 119.5° | 120.0° |
| CAK | CAO | CAW | 116.7° | 120.1° |
| CAK | CAO | HAO | 121.6° | 120.0° |
| CAT | CAL | HAL | 120.0° | 120.1° |
| CAL | CAT | NAQ | 117.3° | 120.1° |
| CAL | CAT | CAV | 120.2° | 119.8° |
| CAU | CAM | HAM | 121.7° | 120.0° |
| CAM | CAU | OAR | 120.8° | 120.1° |
| CAM | CAU | CAW | 121.6° | 119.9° |
| CAV | CAN | HAN | 120.1° | 120.0° |
| CAN | CAV | CAT | 119.5° | 120.0° |
| CAN | CAV | CAX | 118.2° | 120.0° |
| CAW | CAO | HAO | 121.6° | 120.0° |
| CAO | CAW | CAU | 122.3° | 119.9° |
| CAO | CAW | PAY | 119.4° | 120.0° |
| OAR | CAP | CAS | 105.0° | 109.5° |
| OAR | CAP | HAP | 111.0° | 109.5° |
| OAR | CAP | HAPA | 111.0° | 109.5° |
| CAP | OAR | CAU | 120.5° | 117.0° |
| CAS | CAP | HAP | 111.0° | 109.4° |
| CAS | CAP | HAPA | 111.0° | 109.5° |
| CAP | CAS | NAQ | 118.1° | 120.0° |
| HAP | CAP | HAPA | 107.9° | 109.5° |
| CAS | NAQ | CAT | 124.2° | 120.0° |
| CAS | NAQ | HNAQ | 117.9° | 120.0° |
| CAT | NAQ | HNAQ | 117.9° | 120.0° |
| NAQ | CAT | CAV | 122.4° | 120.1° |
| OAR | CAU | CAW | 117.5° | 120.0° |
| CAT | CAV | CAX | 122.3° | 120.0° |
| CAU | CAW | PAY | 118.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAS | CAP | OAR | 157.0° | 0.1° |
| OAA | CAS | CAP | NAQ | 179.1° | 179.9° |
| OAA | CAS | CAP | HAP | 37.1° | 120.1° |
| OAA | CAS | CAP | HAPA | 83.0° | 120.0° |
| OAA | CAS | NAQ | CAT | 0.1° | 5.5° |
| OAA | CAS | NAQ | HNAQ | 179.9° | 174.4° |
| OAB | PAY | OAC | OAD | 129.2° | 120.0° |
| OAB | PAY | OAC | CAW | 117.3° | 120.0° |
| OAB | PAY | OAC | HOAC | 0.0° | 180.0° |
| OAB | PAY | OAD | CAW | 121.3° | 120.0° |
| OAB | PAY | OAD | HOAD | 0.0° | 60.0° |
| OAB | PAY | CAW | CAO | 114.7° | 89.2° |
| OAB | PAY | CAW | CAU | 59.5° | 90.0° |
| OAC | PAY | OAD | CAW | 113.2° | 120.0° |
| OAC | PAY | OAD | HOAD | 125.4° | 60.0° |
| OAC | PAY | CAW | CAO | 124.9° | 30.8° |
| OAC | PAY | CAW | CAU | 60.8° | 150.0° |
| HOAC | OAC | PAY | OAD | 129.2° | 60.0° |
| HOAC | OAC | PAY | CAW | 117.3° | 60.0° |
| OAD | PAY | CAW | CAO | 13.1° | 150.8° |
| OAD | PAY | CAW | CAU | 172.7° | 30.0° |
| HOAD | OAD | PAY | CAW | 121.3° | 180.0° |
| FAE | CAX | FAF | FAG | 117.4° | 120.1° |
| FAE | CAX | FAF | CAV | 119.2° | 120.0° |
| FAE | CAX | FAG | CAV | 125.4° | 120.0° |
| FAE | CAX | CAV | CAN | 9.5° | 119.2° |
| FAE | CAX | CAV | CAT | 168.9° | 60.0° |
| FAF | CAX | FAG | CAV | 118.5° | 119.9° |
| FAF | CAX | CAV | CAN | 124.8° | 0.8° |
| FAF | CAX | CAV | CAT | 53.5° | 180.0° |
| FAG | CAX | CAV | CAN | 113.9° | 120.8° |
| FAG | CAX | CAV | CAT | 67.7° | 60.0° |
| CAL | CAH | CAJ | HAH | 180.0° | 179.7° |
| CAL | CAH | CAJ | CAN | 0.8° | 0.3° |
| CAL | CAH | CAJ | HAJ | 179.2° | 179.7° |
| CAH | CAL | CAT | HAL | 180.0° | 180.0° |
| CAH | CAL | CAT | NAQ | 178.2° | 180.0° |
| CAH | CAL | CAT | CAV | 2.0° | 0.5° |
| CAH | CAJ | CAN | HAJ | 180.0° | 180.0° |
| CAJ | CAH | CAL | CAT | 0.5° | 0.0° |
| CAJ | CAH | CAL | HAL | 179.5° | 180.0° |
| CAH | CAJ | CAN | CAV | 0.5° | 0.0° |
| CAH | CAJ | CAN | HAN | 179.5° | 179.9° |
| HAH | CAH | CAJ | CAN | 179.2° | 180.0° |
| HAH | CAH | CAJ | HAJ | 0.8° | 0.0° |
| HAH | CAH | CAL | CAT | 179.5° | 179.8° |
| HAH | CAH | CAL | HAL | 0.5° | 0.3° |
| CAM | CAI | CAK | HAI | 180.0° | 179.6° |
| CAM | CAI | CAK | CAO | 1.1° | 0.3° |
| CAM | CAI | CAK | HAK | 178.9° | 179.7° |
| CAI | CAM | CAU | HAM | 180.0° | 180.0° |
| CAI | CAM | CAU | OAR | 179.6° | 180.0° |
| CAI | CAM | CAU | CAW | 3.2° | 0.5° |
| CAI | CAK | CAO | HAK | 180.0° | 180.0° |
| CAK | CAI | CAM | CAU | 1.5° | 0.1° |
| CAK | CAI | CAM | HAM | 178.5° | 180.0° |
| CAI | CAK | CAO | CAW | 2.1° | 0.0° |
| CAI | CAK | CAO | HAO | 177.9° | 180.0° |
| HAI | CAI | CAK | CAO | 178.9° | 180.0° |
| HAI | CAI | CAK | HAK | 1.1° | 0.1° |
| HAI | CAI | CAM | CAU | 178.5° | 179.7° |
| HAI | CAI | CAM | HAM | 1.5° | 0.3° |
| CAJ | CAN | CAV | HAN | 180.0° | 179.9° |
| CAJ | CAN | CAV | CAT | 1.1° | 0.6° |
| CAJ | CAN | CAV | CAX | 179.5° | 179.8° |
| HAJ | CAJ | CAN | CAV | 179.5° | 180.0° |
| HAJ | CAJ | CAN | HAN | 0.5° | 0.1° |
| CAK | CAO | CAW | HAO | 180.0° | 180.0° |
| CAK | CAO | CAW | CAU | 3.8° | 0.5° |
| CAK | CAO | CAW | PAY | 177.8° | 179.7° |
| HAK | CAK | CAO | CAW | 177.9° | 180.0° |
| HAK | CAK | CAO | HAO | 2.1° | 0.0° |
| CAL | CAT | CAV | CAN | 2.3° | 0.8° |
| CAL | CAT | NAQ | CAS | 79.1° | 24.9° |
| CAL | CAT | NAQ | CAV | 176.1° | 179.5° |
| CAL | CAT | NAQ | HNAQ | 101.0° | 155.2° |
| CAL | CAT | CAV | CAX | 179.3° | 180.0° |
| HAL | CAL | CAT | NAQ | 1.8° | 0.0° |
| HAL | CAL | CAT | CAV | 178.0° | 179.5° |
| CAM | CAU | CAW | CAO | 4.5° | 0.8° |
| CAM | CAU | OAR | CAP | 24.7° | 0.0° |
| CAM | CAU | OAR | CAW | 177.3° | 179.4° |
| CAM | CAU | CAW | PAY | 178.6° | 180.0° |
| HAM | CAM | CAU | OAR | 0.4° | 0.0° |
| HAM | CAM | CAU | CAW | 176.8° | 179.5° |
| CAN | CAV | CAT | NAQ | 178.3° | 179.7° |
| CAN | CAV | CAT | CAX | 178.3° | 179.2° |
| HAN | CAN | CAV | CAT | 178.9° | 179.5° |
| HAN | CAN | CAV | CAX | 0.5° | 0.3° |
| CAO | CAW | CAU | OAR | 178.2° | 179.7° |
| CAO | CAW | CAU | PAY | 174.0° | 179.2° |
| HAO | CAO | CAW | CAU | 176.2° | 179.4° |
| HAO | CAO | CAW | PAY | 2.2° | 0.2° |
| OAR | CAP | CAS | HAP | 120.0° | 120.0° |
| OAR | CAP | CAS | HAPA | 120.0° | 120.0° |
| OAR | CAP | HAP | HAPA | 121.8° | 120.0° |
| OAR | CAP | CAS | NAQ | 22.1° | 180.0° |
| CAP | OAR | CAU | CAW | 152.6° | 179.4° |
| CAS | CAP | HAP | HAPA | 121.8° | 120.0° |
| CAP | CAS | NAQ | CAT | 179.0° | 174.5° |
| CAP | CAS | NAQ | HNAQ | 1.0° | 5.5° |
| CAS | CAP | OAR | CAU | 159.4° | 180.0° |
| HAP | CAP | CAS | NAQ | 142.1° | 60.0° |
| HAP | CAP | OAR | CAU | 80.6° | 60.0° |
| HAPA | CAP | CAS | NAQ | 97.9° | 60.0° |
| HAPA | CAP | OAR | CAU | 39.4° | 60.0° |
| CAS | NAQ | CAT | HNAQ | 180.0° | 179.9° |
| CAS | NAQ | CAT | CAV | 104.9° | 154.6° |
| NAQ | CAT | CAV | CAX | 3.4° | 0.5° |
| HNAQ | NAQ | CAT | CAV | 75.1° | 25.3° |
| OAR | CAU | CAW | PAY | 4.1° | 0.6° |
