LFT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAY | sing | 1.53Å | 1.53Å | |
| CAB | CAY | sing | 1.53Å | 1.53Å | |
| OAC | CAT | doub | 1.22Å | 1.23Å | |
| CLD | CAU | sing | 1.74Å | 1.73Å | |
| CAE | CAN | doub | 1.35Å | 1.33Å | Aromatic |
| CAE | NAQ | sing | 1.34Å | 1.33Å | Aromatic |
| CAF | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | NBA | sing | 1.37Å | 1.33Å | Aromatic |
| CAO | NAQ | doub | 1.30Å | 1.33Å | Aromatic |
| CAO | NBA | sing | 1.35Å | 1.33Å | Aromatic |
| CAP | CAZ | sing | 1.53Å | 1.53Å | |
| CAP | NBA | sing | 1.47Å | 1.48Å | |
| NAR | CAT | sing | 1.35Å | 1.34Å | |
| NAR | CAV | sing | 1.40Å | 1.33Å | |
| OAS | CAT | sing | 1.35Å | 1.36Å | |
| OAS | CAZ | sing | 1.45Å | 1.43Å | |
| CAW | CAY | sing | 1.51Å | 1.39Å | |
| CAX | CAZ | sing | 1.51Å | 1.39Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| 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 | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| CAY | HAY | sing | 1.09Å | 1.10Å | |
| CAZ | HAZ | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAY | CAB | 110.0° | 109.5° |
| CAA | CAY | CAW | 108.1° | 109.5° |
| CAY | CAA | HAA | 109.5° | 109.4° |
| CAY | CAA | HAAA | 109.5° | 109.5° |
| CAY | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAY | HAY | 108.4° | 109.5° |
| CAB | CAY | CAW | 111.6° | 109.5° |
| CAY | CAB | HAB | 109.5° | 109.4° |
| CAY | CAB | HABA | 109.5° | 109.4° |
| CAY | CAB | HABB | 109.4° | 109.4° |
| CAB | CAY | HAY | 108.4° | 109.5° |
| OAC | CAT | NAR | 122.1° | 120.0° |
| OAC | CAT | OAS | 121.9° | 120.0° |
| CLD | CAU | CAF | 120.4° | 120.0° |
| CLD | CAU | CAG | 120.1° | 120.0° |
| CAN | CAE | NAQ | 107.9° | 108.0° |
| CAE | CAN | NBA | 108.2° | 106.8° |
| CAN | CAE | HAE | 126.1° | 126.0° |
| CAE | CAN | HAN | 125.9° | 126.6° |
| CAE | NAQ | CAO | 108.0° | 109.3° |
| NAQ | CAE | HAE | 126.1° | 126.0° |
| CAJ | CAF | CAU | 119.9° | 120.0° |
| CAF | CAJ | CAX | 120.8° | 120.0° |
| CAJ | CAF | HAF | 120.1° | 120.0° |
| CAF | CAJ | HAJ | 119.6° | 120.0° |
| CAF | CAU | CAG | 119.5° | 120.0° |
| CAU | CAF | HAF | 120.1° | 120.0° |
| CAK | CAG | CAU | 120.5° | 120.0° |
| CAG | CAK | CAX | 120.1° | 120.0° |
| CAK | CAG | HAG | 119.7° | 120.0° |
| CAG | CAK | HAK | 120.0° | 120.0° |
| CAU | CAG | HAG | 119.8° | 120.0° |
| CAL | CAH | CAV | 120.4° | 119.9° |
| CAH | CAL | CAW | 119.8° | 120.1° |
| CAL | CAH | HAH | 119.8° | 120.0° |
| CAH | CAL | HAL | 120.1° | 120.0° |
| CAH | CAV | CAI | 120.0° | 119.9° |
| CAH | CAV | NAR | 113.8° | 120.0° |
| CAV | CAH | HAH | 119.8° | 120.0° |
| CAM | CAI | CAV | 119.6° | 119.9° |
| CAI | CAM | CAW | 120.0° | 120.1° |
| CAM | CAI | HAI | 120.2° | 120.1° |
| CAI | CAM | HAM | 120.0° | 119.9° |
| CAI | CAV | NAR | 126.0° | 120.1° |
| CAV | CAI | HAI | 120.2° | 120.0° |
| CAJ | CAX | CAK | 119.2° | 120.1° |
| CAJ | CAX | CAZ | 119.1° | 120.0° |
| CAX | CAJ | HAJ | 119.6° | 120.0° |
| CAK | CAX | CAZ | 121.7° | 120.0° |
| CAX | CAK | HAK | 120.0° | 120.0° |
| CAL | CAW | CAM | 120.1° | 120.1° |
| CAL | CAW | CAY | 116.4° | 119.9° |
| CAW | CAL | HAL | 120.1° | 120.0° |
| CAM | CAW | CAY | 123.4° | 119.9° |
| CAW | CAM | HAM | 120.0° | 120.0° |
| CAN | NBA | CAO | 107.8° | 107.2° |
| CAN | NBA | CAP | 121.4° | 126.4° |
| NBA | CAN | HAN | 125.9° | 126.6° |
| NAQ | CAO | NBA | 108.0° | 108.7° |
| NAQ | CAO | HAO | 126.0° | 125.7° |
| CAO | NBA | CAP | 130.6° | 126.4° |
| NBA | CAO | HAO | 126.0° | 125.6° |
| CAZ | CAP | NBA | 112.8° | 109.5° |
| CAP | CAZ | OAS | 108.1° | 109.4° |
| CAP | CAZ | CAX | 107.2° | 109.5° |
| CAZ | CAP | HAP | 108.6° | 109.4° |
| CAZ | CAP | HAPA | 108.6° | 109.5° |
| CAP | CAZ | HAZ | 109.2° | 109.5° |
| NBA | CAP | HAP | 108.6° | 109.5° |
| NBA | CAP | HAPA | 108.6° | 109.5° |
| CAT | NAR | CAV | 123.0° | 120.0° |
| NAR | CAT | OAS | 115.9° | 120.0° |
| CAT | NAR | HNAR | 118.5° | 120.0° |
| CAV | NAR | HNAR | 118.6° | 120.0° |
| CAT | OAS | CAZ | 117.2° | 117.0° |
| OAS | CAZ | CAX | 110.4° | 109.5° |
| OAS | CAZ | HAZ | 110.6° | 109.5° |
| CAW | CAY | HAY | 110.4° | 109.5° |
| CAX | CAZ | HAZ | 111.2° | 109.5° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAB | CAB | HABA | 109.4° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HAP | CAP | HAPA | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAY | CAB | CAW | 120.0° | 120.0° |
| CAA | CAY | CAB | HAY | 118.3° | 120.0° |
| CAA | CAY | CAW | CAL | 95.0° | 120.0° |
| CAA | CAY | CAW | CAM | 81.6° | 60.0° |
| CAA | CAY | CAW | HAY | 118.3° | 120.0° |
| CAY | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAY | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAY | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAY | CAB | HAB | 180.0° | 60.0° |
| CAA | CAY | CAB | HABA | 60.0° | 180.0° |
| CAA | CAY | CAB | HABB | 60.0° | 60.0° |
| CAB | CAY | CAW | CAL | 143.9° | 120.0° |
| CAB | CAY | CAW | CAM | 39.5° | 60.0° |
| CAB | CAY | CAW | HAY | 120.6° | 120.0° |
| CAB | CAY | CAA | HAA | 180.0° | 60.0° |
| CAB | CAY | CAA | HAAA | 60.0° | 180.0° |
| CAB | CAY | CAA | HAAB | 60.0° | 60.0° |
| CAY | CAB | HAB | HABA | 120.0° | 119.9° |
| CAY | CAB | HAB | HABB | 120.0° | 120.0° |
| CAY | CAB | HABA | HABB | 120.0° | 119.9° |
| OAC | CAT | NAR | OAS | 177.9° | 179.9° |
| OAC | CAT | NAR | CAV | 3.6° | 5.4° |
| OAC | CAT | OAS | CAZ | 34.6° | 0.1° |
| OAC | CAT | NAR | HNAR | 176.4° | 174.7° |
| CLD | CAU | CAF | CAJ | 179.7° | 180.0° |
| CLD | CAU | CAF | CAG | 179.9° | 180.0° |
| CLD | CAU | CAG | CAK | 179.9° | 180.0° |
| CLD | CAU | CAF | HAF | 0.3° | 0.3° |
| CLD | CAU | CAG | HAG | 0.1° | 0.1° |
| CAN | CAE | NAQ | HAE | 180.0° | 179.8° |
| CAE | CAN | NBA | HAN | 180.0° | 179.9° |
| CAN | CAE | NAQ | CAO | 0.0° | 0.0° |
| CAE | CAN | NBA | CAO | 1.8° | 0.0° |
| CAE | CAN | NBA | CAP | 177.9° | 180.0° |
| NAQ | CAE | CAN | NBA | 1.1° | 0.0° |
| CAE | NAQ | CAO | NBA | 1.1° | 0.0° |
| NAQ | CAE | CAN | HAN | 178.9° | 179.9° |
| CAE | NAQ | CAO | HAO | 178.9° | 180.0° |
| CAJ | CAF | CAU | HAF | 180.0° | 179.7° |
| CAJ | CAF | CAU | CAG | 0.2° | 0.0° |
| CAF | CAJ | CAX | HAJ | 180.0° | 180.0° |
| CAF | CAJ | CAX | CAK | 0.8° | 0.0° |
| CAF | CAJ | CAX | CAZ | 179.0° | 179.9° |
| CAF | CAU | CAG | CAK | 0.0° | 0.0° |
| CAU | CAF | CAJ | CAX | 0.3° | 0.0° |
| CAF | CAU | CAG | HAG | 180.0° | 179.9° |
| CAU | CAF | CAJ | HAJ | 179.7° | 180.0° |
| CAK | CAG | CAU | HAG | 180.0° | 179.9° |
| CAG | CAK | CAX | CAJ | 1.0° | 0.0° |
| CAG | CAK | CAX | HAK | 180.0° | 179.9° |
| CAG | CAK | CAX | CAZ | 179.0° | 180.0° |
| CAU | CAG | CAK | CAX | 0.5° | 0.0° |
| CAG | CAU | CAF | HAF | 179.8° | 179.7° |
| CAU | CAG | CAK | HAK | 179.5° | 180.0° |
| CAL | CAH | CAV | HAH | 180.0° | 179.7° |
| CAL | CAH | CAV | CAI | 2.8° | 0.0° |
| CAH | CAL | CAW | HAL | 180.0° | 180.0° |
| CAH | CAL | CAW | CAM | 1.8° | 0.0° |
| CAL | CAH | CAV | NAR | 177.6° | 180.0° |
| CAH | CAL | CAW | CAY | 178.5° | 180.0° |
| CAH | CAV | CAI | CAM | 2.7° | 0.0° |
| CAH | CAV | CAI | NAR | 174.1° | 180.0° |
| CAV | CAH | CAL | CAW | 0.5° | 0.0° |
| CAH | CAV | NAR | CAT | 168.9° | 146.7° |
| CAH | CAV | CAI | HAI | 177.3° | 179.9° |
| CAV | CAH | CAL | HAL | 179.5° | 180.0° |
| CAH | CAV | NAR | HNAR | 11.1° | 33.3° |
| CAM | CAI | CAV | HAI | 180.0° | 179.9° |
| CAI | CAM | CAW | CAL | 1.8° | 0.0° |
| CAI | CAM | CAW | HAM | 180.0° | 180.0° |
| CAM | CAI | CAV | NAR | 176.8° | 180.0° |
| CAI | CAM | CAW | CAY | 178.3° | 180.0° |
| CAV | CAI | CAM | CAW | 0.4° | 0.0° |
| CAI | CAV | NAR | CAT | 16.6° | 33.2° |
| CAI | CAV | CAH | HAH | 177.2° | 179.7° |
| CAV | CAI | CAM | HAM | 179.6° | 180.0° |
| CAI | CAV | NAR | HNAR | 163.4° | 146.7° |
| CAJ | CAX | CAK | CAZ | 178.1° | 180.0° |
| CAJ | CAX | CAZ | CAP | 53.4° | 100.0° |
| CAJ | CAX | CAZ | OAS | 170.9° | 140.0° |
| CAX | CAJ | CAF | HAF | 179.7° | 179.7° |
| CAJ | CAX | CAK | HAK | 179.1° | 180.0° |
| CAJ | CAX | CAZ | HAZ | 65.9° | 20.0° |
| CAK | CAX | CAZ | CAP | 124.7° | 80.0° |
| CAK | CAX | CAZ | OAS | 7.2° | 39.9° |
| CAX | CAK | CAG | HAG | 179.5° | 179.9° |
| CAK | CAX | CAJ | HAJ | 179.2° | 180.0° |
| CAK | CAX | CAZ | HAZ | 116.0° | 160.0° |
| CAL | CAW | CAM | CAY | 176.5° | 180.0° |
| CAW | CAL | CAH | HAH | 179.5° | 179.7° |
| CAL | CAW | CAM | HAM | 178.1° | 180.0° |
| CAL | CAW | CAY | HAY | 23.3° | 0.0° |
| CAW | CAM | CAI | HAI | 179.6° | 179.9° |
| CAM | CAW | CAL | HAL | 178.2° | 180.0° |
| CAM | CAW | CAY | HAY | 160.1° | 180.0° |
| CAN | NBA | CAO | NAQ | 1.8° | 0.0° |
| CAN | NBA | CAO | CAP | 175.6° | 180.0° |
| CAN | NBA | CAP | CAZ | 111.7° | 89.9° |
| NBA | CAN | CAE | HAE | 178.8° | 179.8° |
| CAN | NBA | CAO | HAO | 178.2° | 179.9° |
| CAN | NBA | CAP | HAP | 8.8° | 30.0° |
| CAN | NBA | CAP | HAPA | 127.8° | 150.0° |
| NAQ | CAO | NBA | HAO | 180.0° | 180.0° |
| NAQ | CAO | NBA | CAP | 177.3° | 180.0° |
| CAO | NAQ | CAE | HAE | 179.9° | 179.8° |
| CAO | NBA | CAP | CAZ | 73.2° | 90.0° |
| CAO | NBA | CAN | HAN | 178.2° | 179.9° |
| CAO | NBA | CAP | HAP | 166.3° | 150.0° |
| CAO | NBA | CAP | HAPA | 47.3° | 30.0° |
| CAZ | CAP | NBA | HAP | 120.5° | 120.0° |
| CAZ | CAP | NBA | HAPA | 120.5° | 120.1° |
| CAP | CAZ | OAS | CAT | 130.3° | 90.0° |
| CAP | CAZ | OAS | CAX | 116.9° | 120.0° |
| CAP | CAZ | OAS | HAZ | 119.6° | 120.0° |
| CAP | CAZ | CAX | HAZ | 119.3° | 120.0° |
| CAZ | CAP | HAP | HAPA | 118.5° | 120.0° |
| NBA | CAP | CAZ | OAS | 62.6° | 65.0° |
| NBA | CAP | CAZ | CAX | 178.4° | 175.0° |
| CAP | NBA | CAN | HAN | 2.1° | 0.1° |
| CAP | NBA | CAO | HAO | 2.6° | 0.0° |
| NBA | CAP | HAP | HAPA | 118.5° | 120.0° |
| NBA | CAP | CAZ | HAZ | 57.8° | 55.0° |
| CAT | NAR | CAV | HNAR | 180.0° | 179.9° |
| NAR | CAT | OAS | CAZ | 147.6° | 180.0° |
| CAV | NAR | CAT | OAS | 174.3° | 174.7° |
| NAR | CAV | CAH | HAH | 2.4° | 0.3° |
| NAR | CAV | CAI | HAI | 3.2° | 0.1° |
| CAT | OAS | CAZ | CAX | 112.7° | 150.0° |
| OAS | CAT | NAR | HNAR | 5.7° | 5.2° |
| CAT | OAS | CAZ | HAZ | 10.8° | 29.9° |
| OAS | CAZ | CAX | HAZ | 123.2° | 120.0° |
| OAS | CAZ | CAP | HAP | 176.9° | 175.0° |
| OAS | CAZ | CAP | HAPA | 57.9° | 55.0° |
| CAW | CAY | CAA | HAA | 57.9° | 180.0° |
| CAW | CAY | CAA | HAAA | 177.9° | 60.0° |
| CAW | CAY | CAA | HAAB | 62.1° | 60.0° |
| CAW | CAY | CAB | HAB | 60.0° | 60.0° |
| CAW | CAY | CAB | HABA | 60.0° | 60.0° |
| CAW | CAY | CAB | HABB | 180.0° | 180.0° |
| CAY | CAW | CAL | HAL | 1.5° | 0.0° |
| CAY | CAW | CAM | HAM | 1.7° | 0.0° |
| CAZ | CAX | CAJ | HAJ | 1.0° | 0.0° |
| CAZ | CAX | CAK | HAK | 1.0° | 0.1° |
| CAX | CAZ | CAP | HAP | 57.9° | 55.0° |
| CAX | CAZ | CAP | HAPA | 61.1° | 65.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.1° |
| HAA | CAA | CAY | HAY | 61.7° | 60.0° |
| HAAA | CAA | CAY | HAY | 58.3° | 60.0° |
| HAAB | CAA | CAY | HAY | 178.3° | 180.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.1° |
| HAB | CAB | CAY | HAY | 61.7° | 180.0° |
| HABA | CAB | CAY | HAY | 178.3° | 60.0° |
| HABB | CAB | CAY | HAY | 58.3° | 60.0° |
| HAE | CAE | CAN | HAN | 1.2° | 0.3° |
| HAF | CAF | CAJ | HAJ | 0.3° | 0.3° |
| HAG | CAG | CAK | HAK | 0.5° | 0.1° |
| HAH | CAH | CAL | HAL | 0.5° | 0.3° |
| HAI | CAI | CAM | HAM | 0.4° | 0.1° |
| HAP | CAP | CAZ | HAZ | 62.7° | 65.0° |
| HAPA | CAP | CAZ | HAZ | 178.3° | 175.0° |
