L5K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAV | CAU | doub | 1.21Å | 1.23Å | |
| CAY | CAX | sing | 1.53Å | 1.54Å | |
| CAY | CAW | sing | 1.53Å | 1.53Å | |
| CAX | CAW | sing | 1.53Å | 1.52Å | |
| CAU | CAW | sing | 1.51Å | 1.51Å | |
| CAU | NAT | sing | 1.35Å | 1.34Å | |
| CAR | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAS | sing | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | OAZ | sing | 1.43Å | 1.44Å | |
| CAS | NAT | sing | 1.40Å | 1.36Å | |
| CAS | CBA | doub | 1.39Å | 1.41Å | Aromatic |
| CAP | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CBA | CAO | sing | 1.39Å | 1.40Å | Aromatic |
| CAO | NAN | sing | 1.40Å | 1.35Å | |
| NAN | SAM | sing | 1.66Å | 1.66Å | |
| OBB | SAM | doub | 1.42Å | 1.48Å | |
| SAM | OBC | doub | 1.42Å | 1.50Å | |
| SAM | CAL | sing | 1.76Å | 1.72Å | |
| CAK | CAL | doub | 1.39Å | 1.38Å | Aromatic |
| CAK | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CBD | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CBD | CBE | doub | 1.39Å | 1.41Å | Aromatic |
| CAI | CBE | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | OAH | sing | 1.35Å | 1.36Å | Aromatic |
| CBE | CBF | sing | 1.48Å | 1.41Å | Aromatic |
| OAH | CAG | sing | 1.35Å | 1.34Å | Aromatic |
| CBF | CAG | doub | 1.40Å | 1.40Å | Aromatic |
| CBF | CBG | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAF | sing | 1.39Å | 1.37Å | Aromatic |
| CBG | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | NAC | sing | 1.48Å | 1.34Å | |
| NAC | OAE | doub | 1.22Å | 1.41Å | |
| NAC | OAD | sing | 1.22Å | 1.41Å | |
| CAX | H1 | sing | 1.09Å | 1.10Å | |
| CAX | H2 | sing | 1.09Å | 1.10Å | |
| CAY | H3 | sing | 1.09Å | 1.10Å | |
| CAY | H4 | sing | 1.09Å | 1.10Å | |
| OAZ | H5 | sing | 0.97Å | 0.95Å | |
| NAT | H6 | sing | 0.97Å | 1.00Å | |
| CBA | H7 | sing | 1.08Å | 1.08Å | |
| CAR | H8 | sing | 1.08Å | 1.08Å | |
| CAQ | H9 | sing | 1.08Å | 1.08Å | |
| CAP | H10 | sing | 1.08Å | 1.08Å | |
| NAN | H11 | sing | 0.97Å | 1.00Å | |
| CBD | H12 | sing | 1.08Å | 1.08Å | |
| CBG | H13 | sing | 1.08Å | 1.08Å | |
| CAA | H14 | sing | 1.08Å | 1.08Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å | |
| CAJ | H16 | sing | 1.08Å | 1.08Å | |
| CAK | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAV | CAU | CAW | 119.4° | 120.0° |
| OAV | CAU | NAT | 127.5° | 120.0° |
| CAX | CAY | CAW | 59.5° | 60.0° |
| CAY | CAX | CAW | 59.7° | 60.0° |
| CAY | CAX | H1 | 120.0° | 117.5° |
| CAY | CAX | H2 | 120.0° | 117.6° |
| CAX | CAY | H3 | 120.1° | 117.5° |
| CAX | CAY | H4 | 120.1° | 117.5° |
| CAY | CAW | CAX | 60.8° | 60.0° |
| CAY | CAW | CAU | 116.5° | 117.5° |
| CAY | CAW | OAZ | 118.5° | 117.5° |
| CAW | CAY | H3 | 120.1° | 117.5° |
| CAW | CAY | H4 | 120.1° | 117.5° |
| CAX | CAW | CAU | 116.9° | 117.5° |
| CAX | CAW | OAZ | 117.0° | 117.5° |
| CAW | CAX | H1 | 120.1° | 117.5° |
| CAW | CAX | H2 | 120.0° | 117.5° |
| CAW | CAU | NAT | 113.1° | 120.0° |
| CAU | CAW | OAZ | 115.9° | 115.6° |
| CAU | NAT | CAS | 126.9° | 120.0° |
| CAU | NAT | H6 | 116.6° | 120.0° |
| CAQ | CAR | CAS | 120.2° | 120.0° |
| CAR | CAQ | CAP | 119.8° | 120.1° |
| CAQ | CAR | H8 | 120.0° | 120.0° |
| CAR | CAQ | H9 | 120.1° | 119.9° |
| CAR | CAS | NAT | 122.1° | 120.0° |
| CAR | CAS | CBA | 119.2° | 120.0° |
| CAS | CAR | H8 | 119.9° | 120.0° |
| CAQ | CAP | CAO | 121.5° | 120.1° |
| CAP | CAQ | H9 | 120.1° | 119.9° |
| CAQ | CAP | H10 | 119.3° | 120.0° |
| CAW | OAZ | H5 | 109.5° | 113.9° |
| NAT | CAS | CBA | 118.6° | 120.1° |
| CAS | NAT | H6 | 116.6° | 120.0° |
| CAS | CBA | CAO | 121.4° | 119.9° |
| CAS | CBA | H7 | 119.3° | 120.1° |
| CAP | CAO | CBA | 118.0° | 119.9° |
| CAP | CAO | NAN | 117.3° | 120.0° |
| CAO | CAP | H10 | 119.2° | 119.9° |
| CBA | CAO | NAN | 124.6° | 120.1° |
| CAO | CBA | H7 | 119.3° | 120.1° |
| CAO | NAN | SAM | 127.2° | 120.0° |
| CAO | NAN | H11 | 104.8° | 119.9° |
| NAN | SAM | OBB | 109.4° | 106.4° |
| NAN | SAM | OBC | 108.5° | 106.4° |
| NAN | SAM | CAL | 112.2° | 107.2° |
| SAM | NAN | H11 | 104.9° | 120.0° |
| OBB | SAM | OBC | 108.2° | 123.1° |
| OBB | SAM | CAL | 109.5° | 106.4° |
| OBC | SAM | CAL | 108.9° | 106.4° |
| SAM | CAL | CAK | 116.9° | 119.9° |
| SAM | CAL | CBD | 122.5° | 119.9° |
| CAL | CAK | CAJ | 120.4° | 120.6° |
| CAK | CAL | CBD | 120.6° | 120.1° |
| CAL | CAK | H17 | 119.8° | 119.7° |
| CAK | CAJ | CAI | 119.8° | 120.1° |
| CAK | CAJ | H16 | 120.1° | 120.0° |
| CAJ | CAK | H17 | 119.8° | 119.7° |
| CAL | CBD | CBE | 119.4° | 119.7° |
| CAL | CBD | H12 | 120.3° | 120.2° |
| CAJ | CAI | CBE | 120.8° | 119.2° |
| CAJ | CAI | OAH | 130.7° | 132.3° |
| CAI | CAJ | H16 | 120.1° | 119.9° |
| CBD | CBE | CAI | 119.0° | 120.3° |
| CBD | CBE | CBF | 134.9° | 134.0° |
| CBE | CBD | H12 | 120.3° | 120.1° |
| CBE | CAI | OAH | 108.5° | 108.6° |
| CAI | CBE | CBF | 106.1° | 105.7° |
| CAI | OAH | CAG | 109.7° | 111.5° |
| CBE | CBF | CAG | 107.1° | 105.7° |
| CBE | CBF | CBG | 134.0° | 134.0° |
| OAH | CAG | CBF | 108.6° | 108.5° |
| OAH | CAG | CAF | 129.6° | 132.3° |
| CAG | CBF | CBG | 118.9° | 120.2° |
| CBF | CAG | CAF | 121.8° | 119.2° |
| CBF | CBG | CAA | 119.5° | 119.7° |
| CBF | CBG | H13 | 120.2° | 120.1° |
| CAG | CAF | CAB | 119.7° | 120.1° |
| CAG | CAF | H15 | 120.1° | 120.0° |
| CBG | CAA | CAB | 120.6° | 120.2° |
| CAA | CBG | H13 | 120.2° | 120.1° |
| CBG | CAA | H14 | 119.7° | 120.0° |
| CAF | CAB | CAA | 119.5° | 120.6° |
| CAF | CAB | NAC | 117.9° | 119.7° |
| CAB | CAF | H15 | 120.2° | 119.9° |
| CAA | CAB | NAC | 122.6° | 119.7° |
| CAB | CAA | H14 | 119.7° | 119.9° |
| CAB | NAC | OAE | 120.5° | 120.0° |
| CAB | NAC | OAD | 121.0° | 120.1° |
| OAE | NAC | OAD | 118.2° | 119.9° |
| H1 | CAX | H2 | 109.5° | 115.5° |
| H3 | CAY | H4 | 109.4° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAV | CAU | CAW | CAY | 13.6° | 43.6° |
| OAV | CAU | CAW | CAX | 55.4° | 25.0° |
| OAV | CAU | CAW | NAT | 179.0° | 180.0° |
| OAV | CAU | CAW | OAZ | 160.2° | 170.7° |
| OAV | CAU | NAT | CAS | 1.0° | 5.2° |
| OAV | CAU | NAT | H6 | 178.9° | 174.8° |
| CAX | CAY | CAW | H3 | 109.3° | 107.5° |
| CAX | CAY | CAW | H4 | 109.3° | 107.5° |
| CAY | CAX | CAW | H1 | 109.4° | 107.5° |
| CAY | CAX | CAW | H2 | 109.4° | 107.6° |
| CAY | CAX | CAW | CAU | 106.8° | 107.5° |
| CAX | CAY | CAW | OAZ | 106.8° | 107.5° |
| CAY | CAX | H1 | H2 | 144.9° | 145.7° |
| CAX | CAY | H3 | H4 | 145.0° | 145.7° |
| CAY | CAW | CAU | OAZ | 146.6° | 145.7° |
| CAY | CAW | CAU | NAT | 167.4° | 136.4° |
| CAW | CAY | H3 | H4 | 145.0° | 145.7° |
| CAY | CAW | OAZ | H5 | 180.0° | 111.4° |
| CAX | CAW | CAU | OAZ | 144.4° | 145.7° |
| CAX | CAW | CAU | NAT | 123.6° | 155.0° |
| CAW | CAX | H1 | H2 | 144.9° | 145.6° |
| CAX | CAW | OAZ | H5 | 110.2° | 179.9° |
| CAW | CAU | NAT | CAS | 179.9° | 174.8° |
| CAU | CAW | CAX | H1 | 143.8° | 145.0° |
| CAU | CAW | CAX | H2 | 2.6° | 0.1° |
| CAU | CAW | CAY | H3 | 1.8° | 0.0° |
| CAU | CAW | CAY | H4 | 143.1° | 145.0° |
| CAU | CAW | OAZ | H5 | 34.2° | 34.3° |
| CAW | CAU | NAT | H6 | 0.0° | 5.2° |
| CAU | NAT | CAS | CAR | 34.3° | 33.5° |
| NAT | CAU | CAW | OAZ | 20.8° | 9.3° |
| CAU | NAT | CAS | H6 | 180.0° | 180.0° |
| CAU | NAT | CAS | CBA | 148.2° | 146.8° |
| CAQ | CAR | CAS | H8 | 180.0° | 180.0° |
| CAR | CAQ | CAP | H9 | 180.0° | 180.0° |
| CAQ | CAR | CAS | NAT | 178.5° | 180.0° |
| CAQ | CAR | CAS | CBA | 0.9° | 0.2° |
| CAR | CAQ | CAP | CAO | 0.0° | 0.3° |
| CAR | CAQ | CAP | H10 | 180.0° | 180.0° |
| CAS | CAR | CAQ | CAP | 0.5° | 0.0° |
| CAR | CAS | NAT | CBA | 177.6° | 179.7° |
| CAR | CAS | CBA | CAO | 0.9° | 0.3° |
| CAR | CAS | NAT | H6 | 145.8° | 146.6° |
| CAR | CAS | CBA | H7 | 179.2° | 179.7° |
| CAS | CAR | CAQ | H9 | 179.5° | 180.0° |
| CAQ | CAP | CAO | H10 | 180.0° | 179.7° |
| CAQ | CAP | CAO | CBA | 0.1° | 0.2° |
| CAQ | CAP | CAO | NAN | 179.5° | 179.7° |
| CAP | CAQ | CAR | H8 | 179.5° | 180.0° |
| OAZ | CAW | CAX | H1 | 0.2° | 0.1° |
| OAZ | CAW | CAX | H2 | 141.4° | 145.0° |
| OAZ | CAW | CAY | H3 | 143.9° | 145.1° |
| OAZ | CAW | CAY | H4 | 2.6° | 0.0° |
| NAT | CAS | CBA | CAO | 178.5° | 180.0° |
| NAT | CAS | CBA | H7 | 1.5° | 0.0° |
| NAT | CAS | CAR | H8 | 1.5° | 0.0° |
| CAS | CBA | CAO | CAP | 0.3° | 0.0° |
| CAS | CBA | CAO | H7 | 180.0° | 180.0° |
| CAS | CBA | CAO | NAN | 179.0° | 180.0° |
| CBA | CAS | NAT | H6 | 31.8° | 33.1° |
| CBA | CAS | CAR | H8 | 179.0° | 179.7° |
| CAP | CAO | CBA | NAN | 179.4° | 179.9° |
| CAP | CAO | NAN | SAM | 158.5° | 45.2° |
| CAP | CAO | CBA | H7 | 179.7° | 179.9° |
| CAO | CAP | CAQ | H9 | 180.0° | 179.8° |
| CAP | CAO | NAN | H11 | 79.1° | 134.8° |
| CBA | CAO | NAN | SAM | 22.1° | 134.7° |
| CBA | CAO | CAP | H10 | 179.9° | 179.9° |
| CBA | CAO | NAN | H11 | 100.2° | 45.3° |
| CAO | NAN | SAM | H11 | 122.3° | 180.0° |
| CAO | NAN | SAM | OBB | 59.4° | 50.8° |
| CAO | NAN | SAM | OBC | 177.3° | 176.3° |
| CAO | NAN | SAM | CAL | 62.4° | 62.8° |
| NAN | CAO | CBA | H7 | 1.0° | 0.0° |
| NAN | CAO | CAP | H10 | 0.5° | 0.0° |
| NAN | SAM | OBB | OBC | 118.0° | 122.9° |
| NAN | SAM | OBB | CAL | 123.4° | 114.1° |
| NAN | SAM | OBC | CAL | 122.4° | 114.1° |
| NAN | SAM | CAL | CAK | 36.5° | 84.9° |
| NAN | SAM | CAL | CBD | 144.7° | 95.4° |
| OBB | SAM | OBC | CAL | 119.0° | 123.0° |
| OBB | SAM | CAL | CAK | 158.2° | 161.5° |
| OBB | SAM | CAL | CBD | 23.0° | 18.1° |
| OBB | SAM | NAN | H11 | 62.9° | 129.2° |
| OBC | SAM | CAL | CAK | 83.6° | 28.6° |
| OBC | SAM | CAL | CBD | 95.1° | 151.1° |
| OBC | SAM | NAN | H11 | 54.9° | 3.7° |
| SAM | CAL | CAK | CBD | 178.8° | 179.7° |
| SAM | CAL | CAK | CAJ | 179.4° | 179.7° |
| SAM | CAL | CBD | CBE | 179.5° | 180.0° |
| CAL | SAM | NAN | H11 | 175.3° | 117.3° |
| SAM | CAL | CBD | H12 | 0.5° | 0.1° |
| SAM | CAL | CAK | H17 | 0.6° | 0.1° |
| CAL | CAK | CAJ | H17 | 180.0° | 179.6° |
| CAL | CAK | CAJ | CAI | 0.1° | 0.6° |
| CAK | CAL | CBD | CBE | 0.8° | 0.3° |
| CAK | CAL | CBD | H12 | 179.2° | 179.7° |
| CAL | CAK | CAJ | H16 | 179.9° | 179.7° |
| CAJ | CAK | CAL | CBD | 0.6° | 0.6° |
| CAK | CAJ | CAI | H16 | 180.0° | 179.8° |
| CAK | CAJ | CAI | CBE | 0.6° | 0.3° |
| CAK | CAJ | CAI | OAH | 180.0° | 179.7° |
| CAL | CBD | CBE | H12 | 180.0° | 179.9° |
| CAL | CBD | CBE | CAI | 0.3° | 0.0° |
| CAL | CBD | CBE | CBF | 179.5° | 180.0° |
| CBD | CAL | CAK | H17 | 179.4° | 179.8° |
| CAJ | CAI | CBE | CBD | 0.4° | 0.0° |
| CAJ | CAI | CBE | OAH | 179.5° | 180.0° |
| CAJ | CAI | CBE | CBF | 179.7° | 180.0° |
| CAJ | CAI | OAH | CAG | 179.3° | 180.0° |
| CAI | CAJ | CAK | H17 | 179.9° | 179.8° |
| CBD | CBE | CAI | CBF | 179.9° | 180.0° |
| CBD | CBE | CAI | OAH | 179.9° | 180.0° |
| CBD | CBE | CBF | CAG | 179.7° | 180.0° |
| CBD | CBE | CBF | CBG | 0.2° | 0.0° |
| CBE | CAI | OAH | CAG | 0.2° | 0.0° |
| CAI | CBE | CBF | CAG | 0.5° | 0.0° |
| CAI | CBE | CBF | CBG | 180.0° | 180.0° |
| CAI | CBE | CBD | H12 | 179.7° | 180.0° |
| CBE | CAI | CAJ | H16 | 179.4° | 180.0° |
| OAH | CAI | CBE | CBF | 0.2° | 0.0° |
| CAI | OAH | CAG | CBF | 0.5° | 0.0° |
| CAI | OAH | CAG | CAF | 179.9° | 179.9° |
| OAH | CAI | CAJ | H16 | 0.0° | 0.0° |
| CBE | CBF | CAG | OAH | 0.6° | 0.0° |
| CBE | CBF | CAG | CBG | 179.6° | 180.0° |
| CBE | CBF | CAG | CAF | 179.9° | 179.9° |
| CBE | CBF | CBG | CAA | 179.6° | 180.0° |
| CBF | CBE | CBD | H12 | 0.4° | 0.0° |
| CBE | CBF | CBG | H13 | 0.4° | 0.0° |
| OAH | CAG | CBF | CAF | 179.5° | 179.9° |
| OAH | CAG | CBF | CBG | 179.8° | 180.0° |
| OAH | CAG | CAF | CAB | 179.6° | 180.0° |
| OAH | CAG | CAF | H15 | 0.4° | 0.1° |
| CAG | CBF | CBG | CAA | 0.2° | 0.0° |
| CBF | CAG | CAF | CAB | 0.2° | 0.1° |
| CAG | CBF | CBG | H13 | 179.8° | 180.0° |
| CBF | CAG | CAF | H15 | 179.8° | 180.0° |
| CBG | CBF | CAG | CAF | 0.3° | 0.1° |
| CBF | CBG | CAA | H13 | 180.0° | 180.0° |
| CBF | CBG | CAA | CAB | 0.1° | 0.0° |
| CBF | CBG | CAA | H14 | 179.9° | 180.0° |
| CAG | CAF | CAB | H15 | 180.0° | 180.0° |
| CAG | CAF | CAB | CAA | 0.0° | 0.0° |
| CAG | CAF | CAB | NAC | 178.9° | 180.0° |
| CBG | CAA | CAB | CAF | 0.2° | 0.0° |
| CBG | CAA | CAB | H14 | 180.0° | 180.0° |
| CBG | CAA | CAB | NAC | 179.0° | 180.0° |
| CAF | CAB | CAA | NAC | 178.8° | 180.0° |
| CAF | CAB | NAC | OAE | 14.4° | 180.0° |
| CAF | CAB | NAC | OAD | 159.2° | 0.0° |
| CAF | CAB | CAA | H14 | 179.8° | 180.0° |
| CAA | CAB | NAC | OAE | 166.7° | 0.0° |
| CAA | CAB | NAC | OAD | 19.7° | 180.0° |
| CAB | CAA | CBG | H13 | 179.9° | 180.0° |
| CAA | CAB | CAF | H15 | 180.0° | 180.0° |
| CAB | NAC | OAE | OAD | 173.8° | 180.0° |
| NAC | CAB | CAA | H14 | 1.0° | 0.0° |
| NAC | CAB | CAF | H15 | 1.1° | 0.0° |
| H1 | CAX | CAY | H3 | 141.2° | 145.0° |
| H1 | CAX | CAY | H4 | 0.1° | 0.0° |
| H2 | CAX | CAY | H3 | 0.0° | 0.0° |
| H2 | CAX | CAY | H4 | 141.3° | 145.0° |
| H8 | CAR | CAQ | H9 | 0.5° | 0.0° |
| H9 | CAQ | CAP | H10 | 0.0° | 0.1° |
| H13 | CBG | CAA | H14 | 0.1° | 0.0° |
| H16 | CAJ | CAK | H17 | 0.1° | 0.1° |
