6LF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAI | CBC | doub | 1.32Å | 1.34Å | Aromatic |
| NAI | CBD | sing | 1.32Å | 1.34Å | Aromatic |
| CBC | CAY | sing | 1.38Å | 1.38Å | Aromatic |
| CBD | CAZ | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CL1 | sing | 1.74Å | 1.76Å | |
| CAY | CAP | doub | 1.39Å | 1.44Å | Aromatic |
| CAZ | CAP | sing | 1.39Å | 1.41Å | Aromatic |
| CAZ | CL2 | sing | 1.74Å | 1.75Å | |
| CAP | CAK | sing | 1.51Å | 1.54Å | |
| CAS | CAK | sing | 1.53Å | 1.49Å | |
| CAK | OAC | sing | 1.43Å | 1.40Å | |
| OAC | CAM | sing | 1.36Å | 1.45Å | |
| CBA | NAH | doub | 1.31Å | 1.32Å | Aromatic |
| CBA | CAU | sing | 1.41Å | 1.43Å | Aromatic |
| NAH | NAG | sing | 1.40Å | 1.30Å | Aromatic |
| CAM | CAO | doub | 1.38Å | 1.41Å | Aromatic |
| CAM | CAR | sing | 1.39Å | 1.44Å | Aromatic |
| NAG | CAW | sing | 1.47Å | 1.45Å | |
| NAG | CAX | sing | 1.35Å | 1.35Å | Aromatic |
| CAU | CAV | sing | 1.47Å | 1.52Å | |
| CAU | CAX | doub | 1.38Å | 1.42Å | Aromatic |
| CAO | CAJ | sing | 1.40Å | 1.44Å | Aromatic |
| CAW | CBB | sing | 1.53Å | 1.51Å | |
| CAV | CAT | doub | 1.34Å | 1.51Å | |
| CAR | CAQ | doub | 1.37Å | 1.42Å | Aromatic |
| CBB | OAD | sing | 1.43Å | 1.21Å | |
| CAJ | CAN | sing | 1.47Å | 1.48Å | Aromatic |
| CAJ | CAL | doub | 1.41Å | 1.42Å | Aromatic |
| CAQ | CAL | sing | 1.39Å | 1.42Å | Aromatic |
| CAT | CAN | sing | 1.47Å | 1.56Å | |
| CAN | NAF | doub | 1.31Å | 1.34Å | Aromatic |
| CAL | NAE | sing | 1.37Å | 1.37Å | Aromatic |
| NAF | NAE | sing | 1.40Å | 1.31Å | Aromatic |
| CAK | H1 | sing | 1.09Å | 1.10Å | |
| CAO | H2 | sing | 1.08Å | 1.08Å | |
| CAQ | H3 | sing | 1.08Å | 1.08Å | |
| CAR | H4 | sing | 1.08Å | 1.08Å | |
| CAS | H5 | sing | 1.09Å | 1.10Å | |
| CAS | H6 | sing | 1.09Å | 1.10Å | |
| CAS | H7 | sing | 1.09Å | 1.10Å | |
| CAT | H8 | sing | 1.08Å | 1.08Å | |
| CAV | H10 | sing | 1.08Å | 1.08Å | |
| CAW | H12 | sing | 1.09Å | 1.10Å | |
| CAW | H13 | sing | 1.09Å | 1.10Å | |
| CAX | H14 | sing | 1.08Å | 1.08Å | |
| NAE | H15 | sing | 0.97Å | 1.00Å | |
| CBA | H16 | sing | 1.08Å | 1.08Å | |
| CBB | H17 | sing | 1.09Å | 1.10Å | |
| CBC | H18 | sing | 1.08Å | 1.08Å | |
| CBD | H19 | sing | 1.08Å | 1.08Å | |
| OAD | H9 | sing | 0.97Å | 0.95Å | |
| CBB | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBC | NAI | CBD | 122.5° | 121.8° |
| NAI | CBC | CAY | 121.3° | 120.8° |
| NAI | CBC | H18 | 119.4° | 119.6° |
| NAI | CBD | CAZ | 119.3° | 120.7° |
| NAI | CBD | H19 | 120.4° | 119.6° |
| CBC | CAY | CL1 | 120.5° | 120.4° |
| CBC | CAY | CAP | 119.1° | 119.1° |
| CAY | CBC | H18 | 119.3° | 119.6° |
| CBD | CAZ | CAP | 121.3° | 119.2° |
| CBD | CAZ | CL2 | 120.7° | 120.4° |
| CAZ | CBD | H19 | 120.4° | 119.6° |
| CL1 | CAY | CAP | 120.4° | 120.5° |
| CAY | CAP | CAZ | 116.6° | 118.4° |
| CAY | CAP | CAK | 123.5° | 120.7° |
| CAP | CAZ | CL2 | 118.0° | 120.4° |
| CAZ | CAP | CAK | 119.8° | 120.8° |
| CAP | CAK | CAS | 107.4° | 109.5° |
| CAP | CAK | OAC | 114.0° | 109.5° |
| CAP | CAK | H1 | 108.5° | 109.5° |
| CAS | CAK | OAC | 107.3° | 109.4° |
| CAS | CAK | H1 | 109.1° | 109.5° |
| CAK | CAS | H5 | 109.5° | 109.5° |
| CAK | CAS | H6 | 109.5° | 109.5° |
| CAK | CAS | H7 | 109.4° | 109.5° |
| CAK | OAC | CAM | 118.6° | 117.0° |
| OAC | CAK | H1 | 110.5° | 109.5° |
| OAC | CAM | CAO | 120.5° | 119.9° |
| OAC | CAM | CAR | 119.3° | 119.9° |
| NAH | CBA | CAU | 105.8° | 108.1° |
| CBA | NAH | NAG | 112.1° | 108.9° |
| NAH | CBA | H16 | 127.1° | 126.0° |
| CBA | CAU | CAV | 126.1° | 126.4° |
| CBA | CAU | CAX | 105.5° | 107.3° |
| CAU | CBA | H16 | 127.1° | 125.9° |
| NAH | NAG | CAW | 123.6° | 125.8° |
| NAH | NAG | CAX | 110.3° | 108.3° |
| CAO | CAM | CAR | 120.2° | 120.2° |
| CAM | CAO | CAJ | 120.6° | 119.6° |
| CAM | CAO | H2 | 119.7° | 120.1° |
| CAM | CAR | CAQ | 119.5° | 120.7° |
| CAM | CAR | H4 | 120.3° | 119.6° |
| CAW | NAG | CAX | 126.2° | 125.9° |
| NAG | CAW | CBB | 108.4° | 109.5° |
| NAG | CAW | H12 | 109.7° | 109.5° |
| NAG | CAW | H13 | 109.7° | 109.4° |
| NAG | CAX | CAU | 106.2° | 107.4° |
| NAG | CAX | H14 | 126.9° | 126.2° |
| CAV | CAU | CAX | 128.4° | 126.4° |
| CAU | CAV | CAT | 111.8° | 120.0° |
| CAU | CAV | H10 | 124.1° | 120.0° |
| CAU | CAX | H14 | 126.9° | 126.3° |
| CAO | CAJ | CAN | 136.8° | 133.8° |
| CAO | CAJ | CAL | 118.8° | 119.8° |
| CAJ | CAO | H2 | 119.7° | 120.3° |
| CAW | CBB | OAD | 119.8° | 109.5° |
| CBB | CAW | H12 | 109.7° | 109.5° |
| CBB | CAW | H13 | 109.8° | 109.5° |
| CAW | CBB | H17 | 106.8° | 109.5° |
| CAW | CBB | H11 | 106.8° | 109.5° |
| CAV | CAT | CAN | 113.9° | 120.0° |
| CAV | CAT | H8 | 123.0° | 120.0° |
| CAT | CAV | H10 | 124.1° | 120.0° |
| CAR | CAQ | CAL | 119.8° | 120.1° |
| CAR | CAQ | H3 | 120.1° | 120.0° |
| CAQ | CAR | H4 | 120.2° | 119.6° |
| OAD | CBB | H17 | 106.9° | 109.5° |
| CBB | OAD | H9 | 109.5° | 114.0° |
| OAD | CBB | H11 | 106.8° | 109.4° |
| CAN | CAJ | CAL | 104.4° | 106.4° |
| CAJ | CAN | CAT | 129.7° | 126.3° |
| CAJ | CAN | NAF | 106.9° | 107.5° |
| CAJ | CAL | CAQ | 121.1° | 119.6° |
| CAJ | CAL | NAE | 106.1° | 106.9° |
| CAQ | CAL | NAE | 132.8° | 133.5° |
| CAL | CAQ | H3 | 120.1° | 120.0° |
| CAT | CAN | NAF | 123.4° | 126.2° |
| CAN | CAT | H8 | 123.0° | 119.9° |
| CAN | NAF | NAE | 110.4° | 109.9° |
| CAL | NAE | NAF | 112.2° | 109.3° |
| CAL | NAE | H15 | 123.9° | 125.4° |
| NAF | NAE | H15 | 123.9° | 125.3° |
| H5 | CAS | H6 | 109.5° | 109.4° |
| H5 | CAS | H7 | 109.4° | 109.5° |
| H6 | CAS | H7 | 109.5° | 109.5° |
| H12 | CAW | H13 | 109.5° | 109.4° |
| H17 | CBB | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAI | CBC | CAY | H18 | 180.0° | 179.7° |
| CBC | NAI | CBD | CAZ | 0.2° | 0.3° |
| NAI | CBC | CAY | CL1 | 180.0° | 179.9° |
| NAI | CBC | CAY | CAP | 0.3° | 0.0° |
| CBC | NAI | CBD | H19 | 179.8° | 180.0° |
| CBD | NAI | CBC | CAY | 0.3° | 0.3° |
| NAI | CBD | CAZ | H19 | 180.0° | 179.7° |
| NAI | CBD | CAZ | CAP | 0.0° | 0.1° |
| NAI | CBD | CAZ | CL2 | 180.0° | 180.0° |
| CBD | NAI | CBC | H18 | 179.6° | 180.0° |
| CBC | CAY | CL1 | CAP | 179.7° | 179.9° |
| CBC | CAY | CAP | CAZ | 0.2° | 0.3° |
| CBC | CAY | CAP | CAK | 179.9° | 180.0° |
| CBD | CAZ | CAP | CAY | 0.0° | 0.2° |
| CBD | CAZ | CAP | CL2 | 180.0° | 179.9° |
| CBD | CAZ | CAP | CAK | 179.8° | 180.0° |
| CL1 | CAY | CAP | CAZ | 179.8° | 179.8° |
| CL1 | CAY | CAP | CAK | 0.4° | 0.1° |
| CL1 | CAY | CBC | H18 | 0.0° | 0.2° |
| CAY | CAP | CAZ | CAK | 179.8° | 179.7° |
| CAY | CAP | CAZ | CL2 | 180.0° | 179.7° |
| CAY | CAP | CAK | CAS | 80.7° | 105.0° |
| CAY | CAP | CAK | OAC | 38.1° | 135.0° |
| CAY | CAP | CAK | H1 | 161.6° | 15.0° |
| CAP | CAY | CBC | H18 | 179.7° | 179.7° |
| CAZ | CAP | CAK | CAS | 99.0° | 75.2° |
| CAZ | CAP | CAK | OAC | 142.2° | 44.7° |
| CAZ | CAP | CAK | H1 | 18.7° | 164.7° |
| CAP | CAZ | CBD | H19 | 180.0° | 179.8° |
| CL2 | CAZ | CAP | CAK | 0.2° | 0.0° |
| CL2 | CAZ | CBD | H19 | 0.0° | 0.3° |
| CAP | CAK | CAS | OAC | 123.0° | 120.0° |
| CAP | CAK | CAS | H1 | 117.3° | 120.0° |
| CAP | CAK | OAC | H1 | 122.4° | 120.0° |
| CAP | CAK | OAC | CAM | 79.7° | 155.3° |
| CAP | CAK | CAS | H5 | 180.0° | 60.0° |
| CAP | CAK | CAS | H6 | 60.0° | 59.9° |
| CAP | CAK | CAS | H7 | 60.0° | 180.0° |
| CAS | CAK | OAC | H1 | 118.8° | 120.0° |
| CAS | CAK | OAC | CAM | 161.6° | 84.7° |
| CAK | CAS | H5 | H6 | 120.0° | 120.0° |
| CAK | CAS | H5 | H7 | 120.0° | 120.0° |
| CAK | CAS | H6 | H7 | 120.0° | 120.1° |
| CAK | OAC | CAM | CAO | 4.4° | 5.4° |
| CAK | OAC | CAM | CAR | 175.6° | 174.8° |
| OAC | CAK | CAS | H5 | 57.0° | 180.0° |
| OAC | CAK | CAS | H6 | 177.0° | 60.1° |
| OAC | CAK | CAS | H7 | 63.0° | 60.0° |
| OAC | CAM | CAO | CAR | 180.0° | 179.8° |
| OAC | CAM | CAO | CAJ | 179.9° | 179.9° |
| OAC | CAM | CAR | CAQ | 179.7° | 179.7° |
| CAM | OAC | CAK | H1 | 42.8° | 35.2° |
| OAC | CAM | CAO | H2 | 0.1° | 0.0° |
| OAC | CAM | CAR | H4 | 0.3° | 0.2° |
| NAH | CBA | CAU | H16 | 180.0° | 179.6° |
| CBA | NAH | NAG | CAW | 179.7° | 179.7° |
| CBA | NAH | NAG | CAX | 0.1° | 0.2° |
| NAH | CBA | CAU | CAV | 179.9° | 179.8° |
| NAH | CBA | CAU | CAX | 0.1° | 0.4° |
| CAU | CBA | NAH | NAG | 0.0° | 0.4° |
| CBA | CAU | CAX | NAG | 0.2° | 0.2° |
| CBA | CAU | CAV | CAX | 179.7° | 179.7° |
| CBA | CAU | CAV | CAT | 175.7° | 0.3° |
| CBA | CAU | CAV | H10 | 4.3° | 179.7° |
| CBA | CAU | CAX | H14 | 179.8° | 179.7° |
| NAH | NAG | CAW | CAX | 179.5° | 180.0° |
| NAH | NAG | CAX | CAU | 0.2° | 0.0° |
| NAH | NAG | CAW | CBB | 49.1° | 55.0° |
| NAH | NAG | CAW | H12 | 168.9° | 65.1° |
| NAH | NAG | CAW | H13 | 70.8° | 175.0° |
| NAH | NAG | CAX | H14 | 179.8° | 180.0° |
| NAG | NAH | CBA | H16 | 180.0° | 180.0° |
| CAM | CAO | CAJ | H2 | 180.0° | 179.9° |
| CAO | CAM | CAR | CAQ | 0.4° | 0.1° |
| CAM | CAO | CAJ | CAN | 179.2° | 180.0° |
| CAM | CAO | CAJ | CAL | 0.2° | 0.3° |
| CAO | CAM | CAR | H4 | 179.6° | 180.0° |
| CAR | CAM | CAO | CAJ | 0.2° | 0.1° |
| CAM | CAR | CAQ | H4 | 180.0° | 179.9° |
| CAM | CAR | CAQ | CAL | 0.2° | 0.2° |
| CAR | CAM | CAO | H2 | 179.8° | 179.8° |
| CAM | CAR | CAQ | H3 | 179.8° | 179.8° |
| CAW | NAG | CAX | CAU | 179.7° | 180.0° |
| NAG | CAW | CBB | H12 | 119.8° | 120.0° |
| NAG | CAW | CBB | H13 | 119.8° | 120.0° |
| NAG | CAW | CBB | OAD | 39.6° | 180.0° |
| NAG | CAW | H12 | H13 | 120.5° | 119.9° |
| CAW | NAG | CAX | H14 | 0.3° | 0.0° |
| NAG | CAW | CBB | H17 | 161.1° | 60.0° |
| NAG | CAW | CBB | H11 | 81.8° | 60.0° |
| NAG | CAX | CAU | CAV | 179.9° | 180.0° |
| NAG | CAX | CAU | H14 | 180.0° | 180.0° |
| CAX | NAG | CAW | CBB | 130.4° | 125.0° |
| CAX | NAG | CAW | H12 | 10.6° | 115.0° |
| CAX | NAG | CAW | H13 | 109.7° | 4.9° |
| CAU | CAV | CAT | H10 | 180.0° | 180.0° |
| CAU | CAV | CAT | CAN | 175.9° | 180.0° |
| CAU | CAV | CAT | H8 | 4.1° | 0.0° |
| CAV | CAU | CAX | H14 | 0.1° | 0.0° |
| CAV | CAU | CBA | H16 | 0.1° | 0.2° |
| CAX | CAU | CAV | CAT | 4.0° | 180.0° |
| CAX | CAU | CAV | H10 | 175.9° | 0.0° |
| CAX | CAU | CBA | H16 | 179.9° | 180.0° |
| CAO | CAJ | CAN | CAL | 179.1° | 179.8° |
| CAO | CAJ | CAL | CAQ | 0.3° | 0.3° |
| CAO | CAJ | CAN | CAT | 0.7° | 0.2° |
| CAO | CAJ | CAN | NAF | 179.6° | 179.7° |
| CAO | CAJ | CAL | NAE | 179.8° | 179.8° |
| CAW | CBB | OAD | H17 | 121.4° | 120.0° |
| CAW | CBB | OAD | H11 | 121.5° | 120.0° |
| CBB | CAW | H12 | H13 | 120.5° | 120.0° |
| CAW | CBB | H17 | H11 | 115.3° | 120.1° |
| CAW | CBB | OAD | H9 | 180.0° | 180.0° |
| CAV | CAT | CAN | CAJ | 2.9° | 180.0° |
| CAV | CAT | CAN | H8 | 180.0° | 180.0° |
| CAV | CAT | CAN | NAF | 177.5° | 0.1° |
| CAR | CAQ | CAL | CAJ | 0.1° | 0.0° |
| CAR | CAQ | CAL | H3 | 180.0° | 179.9° |
| CAR | CAQ | CAL | NAE | 180.0° | 179.9° |
| OAD | CBB | CAW | H12 | 80.2° | 60.0° |
| OAD | CBB | CAW | H13 | 159.5° | 60.0° |
| OAD | CBB | H17 | H11 | 115.3° | 119.9° |
| CAN | CAJ | CAL | CAQ | 179.6° | 179.9° |
| CAJ | CAN | CAT | NAF | 179.6° | 179.9° |
| CAN | CAJ | CAL | NAE | 0.5° | 0.0° |
| CAJ | CAN | NAF | NAE | 0.3° | 0.1° |
| CAN | CAJ | CAO | H2 | 0.8° | 0.1° |
| CAJ | CAN | CAT | H8 | 177.1° | 0.0° |
| CAJ | CAL | CAQ | NAE | 179.8° | 179.9° |
| CAL | CAJ | CAN | CAT | 179.9° | 180.0° |
| CAL | CAJ | CAN | NAF | 0.5° | 0.0° |
| CAJ | CAL | NAE | NAF | 0.3° | 0.0° |
| CAL | CAJ | CAO | H2 | 179.8° | 179.7° |
| CAJ | CAL | CAQ | H3 | 179.9° | 180.0° |
| CAJ | CAL | NAE | H15 | 179.7° | 180.0° |
| CAQ | CAL | NAE | NAF | 179.8° | 179.9° |
| CAL | CAQ | CAR | H4 | 179.8° | 180.0° |
| CAQ | CAL | NAE | H15 | 0.2° | 0.1° |
| CAT | CAN | NAF | NAE | 180.0° | 180.0° |
| CAN | CAT | CAV | H10 | 4.1° | 0.0° |
| CAN | NAF | NAE | CAL | 0.0° | 0.1° |
| NAF | CAN | CAT | H8 | 2.5° | 179.9° |
| CAN | NAF | NAE | H15 | 180.0° | 180.0° |
| CAL | NAE | NAF | H15 | 180.0° | 180.0° |
| NAE | CAL | CAQ | H3 | 0.0° | 0.1° |
| H1 | CAK | CAS | H5 | 62.7° | 60.0° |
| H1 | CAK | CAS | H6 | 57.3° | 179.9° |
| H1 | CAK | CAS | H7 | 177.3° | 60.0° |
| H3 | CAQ | CAR | H4 | 0.2° | 0.1° |
| H5 | CAS | H6 | H7 | 120.0° | 120.0° |
| H8 | CAT | CAV | H10 | 175.9° | 180.0° |
| H12 | CAW | CBB | H17 | 41.3° | 180.0° |
| H12 | CAW | CBB | H11 | 158.4° | 60.0° |
| H13 | CAW | CBB | H17 | 79.1° | 60.0° |
| H13 | CAW | CBB | H11 | 38.0° | NaN° |
| H17 | CBB | OAD | H9 | 58.6° | 59.9° |
| H9 | OAD | CBB | H11 | 58.5° | 60.0° |






