LKF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAO | sing | 1.53Å | 1.52Å | |
| CAL | NAH | sing | 1.47Å | 1.47Å | |
| CAO | OAK | sing | 1.43Å | 1.43Å | |
| OAK | CAN | sing | 1.43Å | 1.43Å | |
| CAN | CAM | sing | 1.53Å | 1.52Å | |
| CAM | NAH | sing | 1.47Å | 1.46Å | |
| NAH | CAC | sing | 1.39Å | 1.40Å | |
| CAC | NAF | doub | 1.32Å | 1.33Å | Aromatic |
| CAC | CAA | sing | 1.42Å | 1.47Å | Aromatic |
| NAF | CAJ | sing | 1.34Å | 1.38Å | Aromatic |
| CAJ | CAI | doub | 1.35Å | 1.34Å | Aromatic |
| CAI | NAB | sing | 1.37Å | 1.39Å | Aromatic |
| NAB | CAA | sing | 1.37Å | 1.38Å | Aromatic |
| NAB | CAE | sing | 1.37Å | 1.37Å | Aromatic |
| CAA | NAD | doub | 1.32Å | 1.32Å | Aromatic |
| NAD | CAG | sing | 1.33Å | 1.38Å | Aromatic |
| CAG | CAP | sing | 1.51Å | 1.48Å | |
| CAG | CAE | doub | 1.37Å | 1.38Å | Aromatic |
| CAE | CAQ | sing | 1.48Å | 1.42Å | |
| CAQ | CAS | doub | 1.37Å | 1.37Å | Aromatic |
| CAQ | CAT | sing | 1.41Å | 1.40Å | Aromatic |
| CAS | NAR | sing | 1.35Å | 1.37Å | Aromatic |
| CAT | NAU | doub | 1.31Å | 1.33Å | Aromatic |
| NAU | NAR | sing | 1.40Å | 1.35Å | Aromatic |
| NAR | CAV | sing | 1.47Å | 1.45Å | |
| CAV | CAW | sing | 1.53Å | 1.54Å | |
| CAW | CAZ | sing | 1.53Å | 1.53Å | |
| CAW | OAX | sing | 1.43Å | 1.44Å | |
| OAX | CAY | sing | 1.43Å | 1.43Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAP | HAP1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP2 | sing | 1.09Å | 1.10Å | |
| CAP | HAP3 | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAV | HAV1 | sing | 1.09Å | 1.10Å | |
| CAV | HAV2 | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| CAZ | HAZ1 | sing | 1.09Å | 1.10Å | |
| CAZ | HAZ2 | sing | 1.09Å | 1.10Å | |
| CAZ | HAZ3 | sing | 1.09Å | 1.10Å | |
| CAY | HAY1 | sing | 1.09Å | 1.10Å | |
| CAY | HAY2 | sing | 1.09Å | 1.10Å | |
| CAY | HAY3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAL | NAH | 111.6° | 108.4° |
| CAL | CAO | OAK | 110.8° | 109.2° |
| CAO | CAL | HAL1 | 109.0° | 109.7° |
| CAO | CAL | HAL2 | 108.9° | 109.6° |
| CAL | CAO | HAO1 | 109.2° | 109.5° |
| CAL | CAO | HAO2 | 109.1° | 109.5° |
| CAL | NAH | CAM | 115.3° | 118.0° |
| CAL | NAH | CAC | 120.4° | 121.0° |
| NAH | CAL | HAL1 | 108.9° | 109.7° |
| NAH | CAL | HAL2 | 109.0° | 109.7° |
| CAO | OAK | CAN | 109.9° | 114.2° |
| OAK | CAO | HAO1 | 109.1° | 109.5° |
| OAK | CAO | HAO2 | 109.2° | 109.5° |
| OAK | CAN | CAM | 109.6° | 109.2° |
| OAK | CAN | HAN1 | 109.4° | 109.5° |
| OAK | CAN | HAN2 | 109.4° | 109.6° |
| CAN | CAM | NAH | 110.7° | 108.4° |
| CAM | CAN | HAN1 | 109.4° | 109.5° |
| CAM | CAN | HAN2 | 109.5° | 109.5° |
| CAN | CAM | HAM1 | 109.1° | 109.7° |
| CAN | CAM | HAM2 | 109.2° | 109.7° |
| CAM | NAH | CAC | 123.9° | 121.0° |
| NAH | CAM | HAM1 | 109.2° | 109.7° |
| NAH | CAM | HAM2 | 109.2° | 109.7° |
| NAH | CAC | NAF | 117.2° | 120.2° |
| NAH | CAC | CAA | 124.9° | 120.2° |
| NAF | CAC | CAA | 117.9° | 119.6° |
| CAC | NAF | CAJ | 120.5° | 121.3° |
| CAC | CAA | NAB | 118.9° | 118.7° |
| CAC | CAA | NAD | 129.3° | 133.1° |
| NAF | CAJ | CAI | 123.9° | 121.4° |
| NAF | CAJ | HAJ | 118.0° | 119.3° |
| CAJ | CAI | NAB | 118.0° | 119.9° |
| CAI | CAJ | HAJ | 118.0° | 119.3° |
| CAJ | CAI | HAI | 121.0° | 120.1° |
| CAI | NAB | CAA | 120.7° | 119.2° |
| CAI | NAB | CAE | 132.8° | 133.7° |
| NAB | CAI | HAI | 121.0° | 120.0° |
| CAA | NAB | CAE | 106.5° | 107.1° |
| NAB | CAA | NAD | 111.8° | 108.2° |
| NAB | CAE | CAG | 106.5° | 106.8° |
| NAB | CAE | CAQ | 127.8° | 126.6° |
| CAA | NAD | CAG | 105.4° | 109.4° |
| NAD | CAG | CAP | 120.5° | 125.8° |
| NAD | CAG | CAE | 109.9° | 108.5° |
| CAP | CAG | CAE | 129.7° | 125.8° |
| CAG | CAP | HAP1 | 109.5° | 109.5° |
| CAG | CAP | HAP2 | 109.5° | 109.4° |
| CAG | CAP | HAP3 | 109.5° | 109.5° |
| CAG | CAE | CAQ | 125.7° | 126.6° |
| CAE | CAQ | CAS | 125.6° | 126.3° |
| CAE | CAQ | CAT | 128.7° | 126.2° |
| CAS | CAQ | CAT | 105.7° | 107.5° |
| CAQ | CAS | NAR | 105.3° | 107.6° |
| CAQ | CAS | HAS | 127.4° | 126.3° |
| CAQ | CAT | NAU | 111.9° | 108.1° |
| CAQ | CAT | HAT | 124.1° | 125.9° |
| CAS | NAR | NAU | 113.4° | 108.2° |
| CAS | NAR | CAV | 126.8° | 125.9° |
| NAR | CAS | HAS | 127.4° | 126.2° |
| CAT | NAU | NAR | 103.7° | 108.6° |
| NAU | CAT | HAT | 124.1° | 126.0° |
| NAU | NAR | CAV | 119.8° | 125.9° |
| NAR | CAV | CAW | 114.4° | 109.4° |
| NAR | CAV | HAV1 | 108.3° | 109.5° |
| NAR | CAV | HAV2 | 108.2° | 109.5° |
| CAV | CAW | CAZ | 109.3° | 109.4° |
| CAV | CAW | OAX | 108.2° | 109.4° |
| CAW | CAV | HAV1 | 108.2° | 109.5° |
| CAW | CAV | HAV2 | 108.2° | 109.5° |
| CAV | CAW | HAW | 108.7° | 109.5° |
| CAZ | CAW | OAX | 111.8° | 109.4° |
| CAZ | CAW | HAW | 108.8° | 109.5° |
| CAW | CAZ | HAZ1 | 109.5° | 109.5° |
| CAW | CAZ | HAZ2 | 109.5° | 109.4° |
| CAW | CAZ | HAZ3 | 109.4° | 109.5° |
| CAW | OAX | CAY | 114.2° | 113.9° |
| OAX | CAW | HAW | 110.1° | 109.5° |
| OAX | CAY | HAY1 | 109.5° | 109.5° |
| OAX | CAY | HAY2 | 109.5° | 109.5° |
| OAX | CAY | HAY3 | 109.5° | 109.4° |
| HAL1 | CAL | HAL2 | 109.5° | 109.7° |
| HAO1 | CAO | HAO2 | 109.5° | 109.5° |
| HAN1 | CAN | HAN2 | 109.5° | 109.5° |
| HAM1 | CAM | HAM2 | 109.5° | 109.7° |
| HAP1 | CAP | HAP2 | 109.4° | 109.5° |
| HAP1 | CAP | HAP3 | 109.4° | 109.5° |
| HAP2 | CAP | HAP3 | 109.5° | 109.4° |
| HAV1 | CAV | HAV2 | 109.5° | 109.5° |
| HAZ1 | CAZ | HAZ2 | 109.5° | 109.5° |
| HAZ1 | CAZ | HAZ3 | 109.5° | 109.5° |
| HAZ2 | CAZ | HAZ3 | 109.5° | 109.5° |
| HAY1 | CAY | HAY2 | 109.5° | 109.5° |
| HAY1 | CAY | HAY3 | 109.5° | 109.5° |
| HAY2 | CAY | HAY3 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAL | NAH | HAL1 | 120.3° | 119.7° |
| CAO | CAL | NAH | HAL2 | 120.3° | 119.7° |
| CAL | CAO | OAK | HAO1 | 120.2° | 119.9° |
| CAL | CAO | OAK | HAO2 | 120.2° | 119.9° |
| CAL | CAO | OAK | CAN | 62.6° | 62.6° |
| CAO | CAL | NAH | CAM | 44.1° | 50.6° |
| CAO | CAL | NAH | CAC | 142.5° | 129.5° |
| CAO | CAL | HAL1 | HAL2 | 119.0° | 120.5° |
| CAL | CAO | HAO1 | HAO2 | 119.4° | 120.2° |
| NAH | CAL | CAO | OAK | 50.8° | 52.3° |
| CAL | NAH | CAM | CAN | 46.7° | 50.5° |
| CAL | NAH | CAM | CAC | 173.1° | 179.9° |
| CAL | NAH | CAC | NAF | 21.5° | 174.1° |
| CAL | NAH | CAC | CAA | 159.2° | 6.1° |
| NAH | CAL | HAL1 | HAL2 | 119.0° | 120.6° |
| NAH | CAL | CAO | HAO1 | 171.0° | 67.6° |
| NAH | CAL | CAO | HAO2 | 69.4° | 172.2° |
| CAL | NAH | CAM | HAM1 | 73.5° | 170.3° |
| CAL | NAH | CAM | HAM2 | 166.8° | 69.2° |
| CAO | OAK | CAN | CAM | 65.2° | 62.6° |
| OAK | CAO | CAL | HAL1 | 171.1° | 67.4° |
| OAK | CAO | CAL | HAL2 | 69.5° | 172.0° |
| OAK | CAO | HAO1 | HAO2 | 119.4° | 120.1° |
| CAO | OAK | CAN | HAN1 | 174.8° | 57.3° |
| CAO | OAK | CAN | HAN2 | 54.8° | 177.5° |
| OAK | CAN | CAM | HAN1 | 120.0° | 119.9° |
| OAK | CAN | CAM | HAN2 | 120.0° | 120.0° |
| OAK | CAN | CAM | NAH | 56.2° | 52.3° |
| CAN | OAK | CAO | HAO1 | 177.2° | 57.3° |
| CAN | OAK | CAO | HAO2 | 57.6° | 177.5° |
| OAK | CAN | HAN1 | HAN2 | 119.9° | 120.2° |
| OAK | CAN | CAM | HAM1 | 64.0° | 172.0° |
| OAK | CAN | CAM | HAM2 | 176.4° | 67.4° |
| CAN | CAM | NAH | HAM1 | 120.1° | 119.7° |
| CAN | CAM | NAH | HAM2 | 120.2° | 119.7° |
| CAN | CAM | NAH | CAC | 140.2° | 129.5° |
| CAM | CAN | HAN1 | HAN2 | 120.0° | 120.0° |
| CAN | CAM | HAM1 | HAM2 | 119.4° | 120.6° |
| CAM | NAH | CAC | NAF | 151.3° | 6.0° |
| CAM | NAH | CAC | CAA | 28.0° | 173.8° |
| CAM | NAH | CAL | HAL1 | 164.4° | 69.2° |
| CAM | NAH | CAL | HAL2 | 76.3° | 170.2° |
| NAH | CAM | CAN | HAN1 | 176.2° | 67.6° |
| NAH | CAM | CAN | HAN2 | 63.8° | 172.3° |
| NAH | CAM | HAM1 | HAM2 | 119.5° | 120.5° |
| NAH | CAC | NAF | CAA | 179.4° | 179.8° |
| NAH | CAC | NAF | CAJ | 178.1° | 180.0° |
| NAH | CAC | CAA | NAB | 178.6° | 179.7° |
| NAH | CAC | CAA | NAD | 3.2° | 0.1° |
| CAC | NAH | CAL | HAL1 | 22.2° | 110.7° |
| CAC | NAH | CAL | HAL2 | 97.1° | 9.8° |
| CAC | NAH | CAM | HAM1 | 99.6° | 9.8° |
| CAC | NAH | CAM | HAM2 | 20.0° | 110.8° |
| CAC | NAF | CAJ | CAI | 0.8° | 0.0° |
| NAF | CAC | CAA | NAB | 0.8° | 0.5° |
| NAF | CAC | CAA | NAD | 177.4° | 179.7° |
| CAC | NAF | CAJ | HAJ | 179.2° | 180.0° |
| CAA | CAC | NAF | CAJ | 1.2° | 0.2° |
| CAC | CAA | NAB | CAI | 0.3° | 0.6° |
| CAC | CAA | NAB | NAD | 178.5° | 179.8° |
| CAC | CAA | NAB | CAE | 179.9° | 179.7° |
| CAC | CAA | NAD | CAG | 179.6° | 180.0° |
| NAF | CAJ | CAI | HAJ | 180.0° | 180.0° |
| NAF | CAJ | CAI | NAB | 0.3° | 0.0° |
| NAF | CAJ | CAI | HAI | 179.7° | 180.0° |
| CAJ | CAI | NAB | HAI | 180.0° | 179.9° |
| CAJ | CAI | NAB | CAA | 0.8° | 0.3° |
| CAJ | CAI | NAB | CAE | 179.5° | 180.0° |
| CAI | NAB | CAA | CAE | 179.8° | 179.7° |
| CAI | NAB | CAA | NAD | 178.8° | 179.6° |
| CAI | NAB | CAE | CAG | 179.3° | 179.3° |
| CAI | NAB | CAE | CAQ | 1.5° | 0.0° |
| NAB | CAI | CAJ | HAJ | 179.7° | 180.0° |
| NAB | CAA | NAD | CAG | 1.3° | 0.2° |
| CAA | NAB | CAE | CAG | 0.9° | 0.4° |
| CAA | NAB | CAE | CAQ | 178.7° | 179.7° |
| CAA | NAB | CAI | HAI | 179.2° | 179.7° |
| CAE | NAB | CAA | NAD | 1.4° | 0.1° |
| NAB | CAE | CAG | NAD | 0.1° | 0.6° |
| NAB | CAE | CAG | CAP | 178.8° | 180.0° |
| NAB | CAE | CAG | CAQ | 177.9° | 179.3° |
| NAB | CAE | CAQ | CAS | 113.9° | 135.0° |
| NAB | CAE | CAQ | CAT | 64.6° | 45.3° |
| CAE | NAB | CAI | HAI | 0.5° | 0.1° |
| CAA | NAD | CAG | CAP | 179.8° | 180.0° |
| CAA | NAD | CAG | CAE | 0.7° | 0.5° |
| NAD | CAG | CAP | CAE | 178.9° | 179.4° |
| NAD | CAG | CAE | CAQ | 178.0° | 179.9° |
| NAD | CAG | CAP | HAP1 | 0.0° | 90.0° |
| NAD | CAG | CAP | HAP2 | 120.0° | 150.0° |
| NAD | CAG | CAP | HAP3 | 120.0° | 30.0° |
| CAP | CAG | CAE | CAQ | 0.9° | 0.7° |
| CAG | CAP | HAP1 | HAP2 | 120.0° | 120.0° |
| CAG | CAP | HAP1 | HAP3 | 120.0° | 120.0° |
| CAG | CAP | HAP2 | HAP3 | 120.0° | 120.0° |
| CAG | CAE | CAQ | CAS | 68.7° | 44.2° |
| CAG | CAE | CAQ | CAT | 112.8° | 135.5° |
| CAE | CAG | CAP | HAP1 | 178.9° | 89.4° |
| CAE | CAG | CAP | HAP2 | 58.9° | 30.7° |
| CAE | CAG | CAP | HAP3 | 61.1° | 150.6° |
| CAE | CAQ | CAS | CAT | 178.8° | 179.8° |
| CAE | CAQ | CAS | NAR | 178.9° | 180.0° |
| CAE | CAQ | CAT | NAU | 179.5° | 180.0° |
| CAE | CAQ | CAS | HAS | 1.1° | 0.0° |
| CAE | CAQ | CAT | HAT | 0.5° | 0.0° |
| CAQ | CAS | NAR | HAS | 180.0° | 180.0° |
| CAS | CAQ | CAT | NAU | 0.8° | 0.2° |
| CAQ | CAS | NAR | NAU | 0.5° | 0.2° |
| CAQ | CAS | NAR | CAV | 178.8° | 180.0° |
| CAS | CAQ | CAT | HAT | 179.2° | 179.8° |
| CAT | CAQ | CAS | NAR | 0.2° | 0.2° |
| CAQ | CAT | NAU | HAT | 180.0° | 180.0° |
| CAQ | CAT | NAU | NAR | 1.1° | 0.1° |
| CAT | CAQ | CAS | HAS | 179.8° | 179.8° |
| CAS | NAR | NAU | CAT | 1.0° | 0.0° |
| CAS | NAR | NAU | CAV | 178.4° | 179.9° |
| CAS | NAR | CAV | CAW | 126.8° | 125.0° |
| CAS | NAR | CAV | HAV1 | 6.1° | 115.0° |
| CAS | NAR | CAV | HAV2 | 112.5° | 5.0° |
| CAT | NAU | NAR | CAV | 179.4° | 179.9° |
| NAU | NAR | CAV | CAW | 55.0° | 54.8° |
| NAU | NAR | CAS | HAS | 179.5° | 179.8° |
| NAR | NAU | CAT | HAT | 178.9° | 179.9° |
| NAU | NAR | CAV | HAV1 | 175.7° | 65.2° |
| NAU | NAR | CAV | HAV2 | 65.7° | 174.8° |
| NAR | CAV | CAW | HAV1 | 120.7° | 120.0° |
| NAR | CAV | CAW | HAV2 | 120.7° | 120.0° |
| NAR | CAV | CAW | CAZ | 154.9° | 175.0° |
| NAR | CAV | CAW | OAX | 83.2° | 65.0° |
| CAV | NAR | CAS | HAS | 1.2° | 0.0° |
| NAR | CAV | HAV1 | HAV2 | 117.8° | 120.0° |
| NAR | CAV | CAW | HAW | 36.3° | 55.0° |
| CAV | CAW | CAZ | OAX | 119.7° | 119.9° |
| CAV | CAW | CAZ | HAW | 118.5° | 120.1° |
| CAV | CAW | OAX | HAW | 118.6° | 120.1° |
| CAV | CAW | OAX | CAY | 176.8° | 150.1° |
| CAW | CAV | HAV1 | HAV2 | 117.8° | 120.0° |
| CAV | CAW | CAZ | HAZ1 | 180.0° | 60.0° |
| CAV | CAW | CAZ | HAZ2 | 60.0° | 60.0° |
| CAV | CAW | CAZ | HAZ3 | 60.0° | 180.0° |
| CAZ | CAW | OAX | HAW | 121.0° | 120.0° |
| CAZ | CAW | OAX | CAY | 56.5° | 90.0° |
| CAZ | CAW | CAV | HAV1 | 84.4° | 65.0° |
| CAZ | CAW | CAV | HAV2 | 34.2° | 55.0° |
| CAW | CAZ | HAZ1 | HAZ2 | 120.0° | 120.0° |
| CAW | CAZ | HAZ1 | HAZ3 | 120.0° | 120.0° |
| CAW | CAZ | HAZ2 | HAZ3 | 120.0° | 120.0° |
| OAX | CAW | CAV | HAV1 | 37.5° | 55.0° |
| OAX | CAW | CAV | HAV2 | 156.1° | 175.0° |
| OAX | CAW | CAZ | HAZ1 | 60.3° | 59.9° |
| OAX | CAW | CAZ | HAZ2 | 59.7° | 179.9° |
| OAX | CAW | CAZ | HAZ3 | 179.7° | 60.1° |
| CAW | OAX | CAY | HAY1 | 180.0° | 60.0° |
| CAW | OAX | CAY | HAY2 | 60.0° | 60.0° |
| CAW | OAX | CAY | HAY3 | 60.0° | 179.9° |
| CAY | OAX | CAW | HAW | 64.6° | 30.0° |
| OAX | CAY | HAY1 | HAY2 | 120.0° | 120.0° |
| OAX | CAY | HAY1 | HAY3 | 120.0° | 120.0° |
| OAX | CAY | HAY2 | HAY3 | 120.0° | 119.9° |
| HAL1 | CAL | CAO | HAO1 | 68.7° | 172.6° |
| HAL1 | CAL | CAO | HAO2 | 50.9° | 52.5° |
| HAL2 | CAL | CAO | HAO1 | 50.7° | 52.1° |
| HAL2 | CAL | CAO | HAO2 | 170.3° | 68.1° |
| HAN1 | CAN | CAM | HAM1 | 56.0° | 52.1° |
| HAN1 | CAN | CAM | HAM2 | 63.6° | 172.6° |
| HAN2 | CAN | CAM | HAM1 | 176.0° | 68.0° |
| HAN2 | CAN | CAM | HAM2 | 56.4° | 52.5° |
| HAJ | CAJ | CAI | HAI | 0.3° | 0.1° |
| HAP1 | CAP | HAP2 | HAP3 | 120.0° | 120.0° |
| HAV1 | CAV | CAW | HAW | 157.0° | 175.0° |
| HAV2 | CAV | CAW | HAW | 84.4° | 65.0° |
| HAW | CAW | CAZ | HAZ1 | 61.5° | 180.0° |
| HAW | CAW | CAZ | HAZ2 | 178.5° | 60.0° |
| HAW | CAW | CAZ | HAZ3 | 58.5° | 59.9° |
| HAZ1 | CAZ | HAZ2 | HAZ3 | 120.0° | 120.0° |
| HAY1 | CAY | HAY2 | HAY3 | 120.0° | 120.1° |
