8LF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAO | SAM | doub | 1.42Å | 1.53Å | |
| OAN | SAM | doub | 1.42Å | 1.53Å | |
| SAM | NAL | sing | 1.66Å | 1.73Å | |
| SAM | CAP | sing | 1.76Å | 1.88Å | |
| NAL | CAK | sing | 1.39Å | 1.35Å | |
| CAP | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAV | sing | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| OAJ | CAI | sing | 1.36Å | 1.37Å | |
| CAV | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAX | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAU | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAT | sing | 1.51Å | 1.39Å | |
| OAZ | CAY | doub | 1.22Å | 1.23Å | |
| CAX | CAY | sing | 1.48Å | 1.39Å | |
| CAX | CAF | doub | 1.41Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.40Å | 1.40Å | Aromatic |
| CAG | OAH | sing | 1.36Å | 1.37Å | |
| CAY | CBA | sing | 1.48Å | 1.38Å | |
| CAF | CAD | sing | 1.47Å | 1.40Å | |
| CBA | CBB | doub | 1.39Å | 1.39Å | Aromatic |
| CBA | CAC | sing | 1.41Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.48Å | 1.40Å | |
| CAD | OAE | doub | 1.22Å | 1.23Å | |
| CBB | CBC | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAB | doub | 1.39Å | 1.39Å | Aromatic |
| CBC | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | H1 | sing | 1.08Å | 1.08Å | |
| CAR | H2 | sing | 1.08Å | 1.08Å | |
| CAT | H3 | sing | 1.09Å | 1.10Å | |
| CAT | H4 | sing | 1.09Å | 1.10Å | |
| CAT | H5 | sing | 1.09Å | 1.10Å | |
| CAU | H6 | sing | 1.08Å | 1.08Å | |
| CAV | H7 | sing | 1.08Å | 1.08Å | |
| NAL | H8 | sing | 0.97Å | 1.00Å | |
| CAW | H9 | sing | 1.08Å | 1.08Å | |
| CBB | H10 | sing | 1.08Å | 1.08Å | |
| CBC | H11 | sing | 1.08Å | 1.08Å | |
| CAA | H12 | sing | 1.08Å | 1.08Å | |
| CAB | H13 | sing | 1.08Å | 1.08Å | |
| OAH | H14 | sing | 0.97Å | 0.95Å | |
| OAJ | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAO | SAM | OAN | 110.1° | 123.1° |
| OAO | SAM | NAL | 107.5° | 106.4° |
| OAO | SAM | CAP | 109.4° | 106.4° |
| OAN | SAM | NAL | 113.3° | 106.4° |
| OAN | SAM | CAP | 111.2° | 106.4° |
| NAL | SAM | CAP | 105.2° | 107.2° |
| SAM | NAL | CAK | 114.0° | 120.0° |
| SAM | NAL | H8 | 108.3° | 120.1° |
| SAM | CAP | CAQ | 121.1° | 120.0° |
| SAM | CAP | CAV | 119.7° | 120.0° |
| NAL | CAK | CAW | 121.6° | 119.8° |
| NAL | CAK | CAI | 120.5° | 119.8° |
| CAK | NAL | H8 | 108.3° | 120.0° |
| CAQ | CAP | CAV | 119.1° | 120.0° |
| CAP | CAQ | CAR | 120.0° | 120.0° |
| CAP | CAQ | H1 | 120.0° | 120.0° |
| CAP | CAV | CAU | 120.9° | 120.0° |
| CAP | CAV | H7 | 119.6° | 120.0° |
| CAQ | CAR | CAS | 120.5° | 120.0° |
| CAR | CAQ | H1 | 120.0° | 120.0° |
| CAQ | CAR | H2 | 119.7° | 119.9° |
| CAW | CAK | CAI | 117.6° | 120.4° |
| CAK | CAW | CAX | 122.7° | 120.0° |
| CAK | CAW | H9 | 118.6° | 120.0° |
| CAK | CAI | OAJ | 119.4° | 119.9° |
| CAK | CAI | CAG | 119.9° | 120.2° |
| OAJ | CAI | CAG | 120.3° | 119.9° |
| CAI | OAJ | H15 | 109.5° | 114.0° |
| CAV | CAU | CAS | 119.3° | 120.0° |
| CAV | CAU | H6 | 120.4° | 120.0° |
| CAU | CAV | H7 | 119.5° | 120.0° |
| CAR | CAS | CAU | 120.1° | 120.0° |
| CAR | CAS | CAT | 120.0° | 120.0° |
| CAS | CAR | H2 | 119.8° | 120.0° |
| CAW | CAX | CAY | 119.1° | 120.5° |
| CAW | CAX | CAF | 119.6° | 119.9° |
| CAX | CAW | H9 | 118.6° | 120.0° |
| CAI | CAG | CAF | 121.6° | 119.7° |
| CAI | CAG | OAH | 119.9° | 120.1° |
| CAU | CAS | CAT | 119.9° | 120.0° |
| CAS | CAU | H6 | 120.4° | 120.0° |
| CAS | CAT | H3 | 109.5° | 109.4° |
| CAS | CAT | H4 | 109.5° | 109.5° |
| CAS | CAT | H5 | 109.5° | 109.5° |
| OAZ | CAY | CAX | 120.9° | 120.4° |
| OAZ | CAY | CBA | 119.4° | 120.5° |
| CAY | CAX | CAF | 121.3° | 119.6° |
| CAX | CAY | CBA | 119.7° | 119.2° |
| CAX | CAF | CAG | 118.2° | 119.8° |
| CAX | CAF | CAD | 119.0° | 119.7° |
| CAF | CAG | OAH | 118.5° | 120.2° |
| CAG | CAF | CAD | 122.8° | 120.5° |
| CAG | OAH | H14 | 109.5° | 114.0° |
| CAY | CBA | CBB | 118.9° | 120.6° |
| CAY | CBA | CAC | 120.0° | 119.7° |
| CAF | CAD | CAC | 119.4° | 119.3° |
| CAF | CAD | OAE | 120.7° | 120.4° |
| CBB | CBA | CAC | 121.1° | 119.8° |
| CBA | CBB | CBC | 119.4° | 119.8° |
| CBA | CBB | H10 | 120.3° | 120.1° |
| CBA | CAC | CAD | 120.6° | 119.7° |
| CBA | CAC | CAB | 119.1° | 119.7° |
| CAC | CAD | OAE | 119.9° | 120.4° |
| CAD | CAC | CAB | 120.3° | 120.6° |
| CBB | CBC | CAA | 120.0° | 120.5° |
| CBC | CBB | H10 | 120.3° | 120.1° |
| CBB | CBC | H11 | 120.0° | 119.8° |
| CAC | CAB | CAA | 120.1° | 119.8° |
| CAC | CAB | H13 | 119.9° | 120.1° |
| CBC | CAA | CAB | 120.2° | 120.4° |
| CAA | CBC | H11 | 120.0° | 119.7° |
| CBC | CAA | H12 | 119.9° | 119.8° |
| CAB | CAA | H12 | 119.9° | 119.8° |
| CAA | CAB | H13 | 119.9° | 120.1° |
| H3 | CAT | H4 | 109.5° | 109.5° |
| H3 | CAT | H5 | 109.5° | 109.4° |
| H4 | CAT | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAO | SAM | OAN | NAL | 120.4° | 122.9° |
| OAO | SAM | OAN | CAP | 121.4° | 123.0° |
| OAO | SAM | NAL | CAP | 116.5° | 113.5° |
| OAO | SAM | NAL | CAK | 176.4° | 173.8° |
| OAO | SAM | CAP | CAQ | 83.5° | 23.5° |
| OAO | SAM | CAP | CAV | 92.6° | 157.0° |
| OAO | SAM | NAL | H8 | 55.7° | 6.1° |
| OAN | SAM | NAL | CAP | 121.7° | 113.6° |
| OAN | SAM | NAL | CAK | 61.8° | 53.3° |
| OAN | SAM | CAP | CAQ | 38.3° | 156.5° |
| OAN | SAM | CAP | CAV | 145.6° | 24.1° |
| OAN | SAM | NAL | H8 | 177.5° | 126.8° |
| SAM | NAL | CAK | H8 | 120.7° | 179.9° |
| NAL | SAM | CAP | CAQ | 161.3° | 90.0° |
| NAL | SAM | CAP | CAV | 22.6° | 89.5° |
| SAM | NAL | CAK | CAW | 5.8° | 35.6° |
| SAM | NAL | CAK | CAI | 179.7° | 144.7° |
| CAP | SAM | NAL | CAK | 59.9° | 60.3° |
| SAM | CAP | CAQ | CAV | 176.1° | 179.5° |
| SAM | CAP | CAQ | CAR | 179.3° | 180.0° |
| SAM | CAP | CAV | CAU | 179.5° | 180.0° |
| SAM | CAP | CAQ | H1 | 0.7° | 0.4° |
| SAM | CAP | CAV | H7 | 0.5° | 0.3° |
| CAP | SAM | NAL | H8 | 60.8° | 119.6° |
| NAL | CAK | CAW | CAI | 174.1° | 179.7° |
| NAL | CAK | CAI | OAJ | 5.9° | 0.1° |
| NAL | CAK | CAW | CAX | 180.0° | 180.0° |
| NAL | CAK | CAI | CAG | 179.1° | 179.8° |
| NAL | CAK | CAW | H9 | 0.0° | 0.0° |
| CAP | CAQ | CAR | H1 | 180.0° | 179.6° |
| CAQ | CAP | CAV | CAU | 3.4° | 0.5° |
| CAP | CAQ | CAR | CAS | 3.7° | 0.3° |
| CAP | CAQ | CAR | H2 | 176.3° | 179.7° |
| CAQ | CAP | CAV | H7 | 176.6° | 179.7° |
| CAV | CAP | CAQ | CAR | 4.6° | 0.6° |
| CAP | CAV | CAU | H7 | 180.0° | 179.7° |
| CAP | CAV | CAU | CAS | 1.2° | 0.2° |
| CAV | CAP | CAQ | H1 | 175.5° | 179.8° |
| CAP | CAV | CAU | H6 | 178.8° | 179.7° |
| CAQ | CAR | CAS | H2 | 180.0° | 180.0° |
| CAQ | CAR | CAS | CAU | 1.6° | 0.0° |
| CAQ | CAR | CAS | CAT | 178.3° | 179.9° |
| CAW | CAK | CAI | OAJ | 180.0° | 179.6° |
| CAK | CAW | CAX | H9 | 180.0° | 180.0° |
| CAW | CAK | CAI | CAG | 6.8° | 0.5° |
| CAK | CAW | CAX | CAY | 177.7° | 180.0° |
| CAK | CAW | CAX | CAF | 2.9° | 0.1° |
| CAW | CAK | NAL | H8 | 126.5° | 144.4° |
| CAK | CAI | OAJ | CAG | 173.2° | 179.9° |
| CAI | CAK | CAW | CAX | 5.9° | 0.3° |
| CAK | CAI | CAG | CAF | 4.9° | 0.4° |
| CAK | CAI | CAG | OAH | 176.6° | 179.8° |
| CAI | CAK | NAL | H8 | 59.6° | 35.3° |
| CAI | CAK | CAW | H9 | 174.1° | 179.7° |
| CAK | CAI | OAJ | H15 | 180.0° | 90.1° |
| OAJ | CAI | CAG | CAF | 178.1° | 179.7° |
| OAJ | CAI | CAG | OAH | 3.4° | 0.1° |
| CAV | CAU | CAS | CAR | 0.3° | 0.0° |
| CAV | CAU | CAS | H6 | 180.0° | 180.0° |
| CAV | CAU | CAS | CAT | 179.5° | 180.0° |
| CAR | CAS | CAU | CAT | 179.9° | 180.0° |
| CAS | CAR | CAQ | H1 | 176.3° | 179.9° |
| CAR | CAS | CAT | H3 | 89.9° | 90.0° |
| CAR | CAS | CAT | H4 | 150.1° | 150.0° |
| CAR | CAS | CAT | H5 | 30.0° | 29.9° |
| CAR | CAS | CAU | H6 | 179.7° | 180.0° |
| CAW | CAX | CAY | OAZ | 0.1° | 13.7° |
| CAW | CAX | CAY | CAF | 179.4° | 180.0° |
| CAW | CAX | CAF | CAG | 0.7° | 0.2° |
| CAW | CAX | CAY | CBA | 179.6° | 166.3° |
| CAW | CAX | CAF | CAD | 179.7° | 180.0° |
| CAI | CAG | CAF | CAX | 1.8° | 0.1° |
| CAI | CAG | CAF | OAH | 178.5° | 179.8° |
| CAI | CAG | CAF | CAD | 178.6° | 179.8° |
| CAI | CAG | OAH | H14 | 178.6° | 89.8° |
| CAG | CAI | OAJ | H15 | 6.8° | 89.8° |
| CAU | CAS | CAR | H2 | 178.4° | 180.0° |
| CAU | CAS | CAT | H3 | 89.9° | 90.1° |
| CAU | CAS | CAT | H4 | 30.1° | 30.0° |
| CAU | CAS | CAT | H5 | 150.1° | 150.0° |
| CAS | CAU | CAV | H7 | 178.8° | 180.0° |
| CAT | CAS | CAR | H2 | 1.7° | 0.0° |
| CAS | CAT | H3 | H4 | 120.0° | 120.1° |
| CAS | CAT | H3 | H5 | 120.0° | 119.9° |
| CAS | CAT | H4 | H5 | 120.0° | 120.0° |
| CAT | CAS | CAU | H6 | 0.5° | 0.1° |
| OAZ | CAY | CAX | CBA | 179.7° | 180.0° |
| OAZ | CAY | CAX | CAF | 179.5° | 166.3° |
| OAZ | CAY | CBA | CBB | 0.4° | 13.9° |
| OAZ | CAY | CBA | CAC | 179.6° | 166.3° |
| CAY | CAX | CAF | CAG | 179.9° | 179.9° |
| CAY | CAX | CAF | CAD | 0.3° | 0.0° |
| CAX | CAY | CBA | CBB | 179.9° | 166.1° |
| CAX | CAY | CBA | CAC | 0.2° | 13.7° |
| CAY | CAX | CAW | H9 | 2.3° | 0.1° |
| CAX | CAF | CAG | CAD | 179.6° | 179.9° |
| CAX | CAF | CAG | OAH | 179.7° | 179.9° |
| CAF | CAX | CAY | CBA | 0.2° | 13.7° |
| CAX | CAF | CAD | CAC | 0.4° | 13.8° |
| CAX | CAF | CAD | OAE | 179.7° | 166.2° |
| CAF | CAX | CAW | H9 | 177.1° | 179.9° |
| CAG | CAF | CAD | CAC | 180.0° | 166.1° |
| CAG | CAF | CAD | OAE | 0.1° | 13.9° |
| CAF | CAG | OAH | H14 | 0.1° | 90.0° |
| OAH | CAG | CAF | CAD | 0.1° | 0.0° |
| CAY | CBA | CBB | CAC | 179.9° | 179.9° |
| CAY | CBA | CAC | CAD | 0.2° | 0.0° |
| CAY | CBA | CBB | CBC | 179.9° | 180.0° |
| CAY | CBA | CAC | CAB | 179.9° | 179.9° |
| CAY | CBA | CBB | H10 | 0.1° | 0.1° |
| CAF | CAD | CAC | CBA | 0.3° | 13.7° |
| CAF | CAD | CAC | OAE | 179.9° | 180.0° |
| CAF | CAD | CAC | CAB | 179.8° | 166.3° |
| CBB | CBA | CAC | CAD | 179.8° | 179.8° |
| CBA | CBB | CBC | H10 | 180.0° | 179.9° |
| CBB | CBA | CAC | CAB | 0.0° | 0.2° |
| CBA | CBB | CBC | CAA | 0.7° | 0.1° |
| CBA | CBB | CBC | H11 | 179.3° | 180.0° |
| CBA | CAC | CAD | CAB | 179.9° | 180.0° |
| CBA | CAC | CAD | OAE | 179.7° | 166.3° |
| CAC | CBA | CBB | CBC | 0.2° | 0.1° |
| CBA | CAC | CAB | CAA | 0.3° | 0.2° |
| CAC | CBA | CBB | H10 | 179.8° | 180.0° |
| CBA | CAC | CAB | H13 | 179.8° | 179.8° |
| CAD | CAC | CAB | CAA | 179.9° | 179.9° |
| CAD | CAC | CAB | H13 | 0.1° | 0.1° |
| OAE | CAD | CAC | CAB | 0.1° | 13.7° |
| CBB | CBC | CAA | H11 | 180.0° | 179.9° |
| CBB | CBC | CAA | CAB | 1.0° | 0.0° |
| CBB | CBC | CAA | H12 | 179.0° | 180.0° |
| CAC | CAB | CAA | CBC | 0.8° | 0.1° |
| CAC | CAB | CAA | H13 | 180.0° | 180.0° |
| CAC | CAB | CAA | H12 | 179.2° | 179.9° |
| CBC | CAA | CAB | H12 | 180.0° | 180.0° |
| CAA | CBC | CBB | H10 | 179.3° | 180.0° |
| CBC | CAA | CAB | H13 | 179.2° | 179.9° |
| CAB | CAA | CBC | H11 | 179.0° | 180.0° |
| H1 | CAQ | CAR | H2 | 3.7° | 0.1° |
| H3 | CAT | H4 | H5 | 120.0° | 119.9° |
| H6 | CAU | CAV | H7 | 1.2° | 0.0° |
| H10 | CBB | CBC | H11 | 0.7° | 0.1° |
| H11 | CBC | CAA | H12 | 1.0° | 0.0° |
| H12 | CAA | CAB | H13 | 0.8° | 0.1° |
