8LW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAD | doub | 1.22Å | 1.23Å | |
| CAD | NAB | sing | 1.35Å | 1.36Å | |
| CAD | NAF | sing | 1.35Å | 1.33Å | |
| CAC | NAB | sing | 1.46Å | 1.47Å | |
| CAG | NAF | sing | 1.46Å | 1.48Å | |
| NAB | CAA | sing | 1.39Å | 1.35Å | |
| NAF | CAH | sing | 1.39Å | 1.32Å | |
| OAO | CAN | doub | 1.22Å | 1.25Å | |
| CAA | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CAA | CBB | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAR | doub | 1.39Å | 1.42Å | Aromatic |
| CAQ | CAP | sing | 1.39Å | 1.42Å | Aromatic |
| CBB | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAP | sing | 1.47Å | 1.43Å | |
| CAN | NAM | sing | 1.35Å | 1.41Å | |
| CAR | CAS | sing | 1.37Å | 1.41Å | Aromatic |
| CAJ | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.51Å | 1.51Å | |
| CAL | NAM | sing | 1.40Å | 1.43Å | |
| CAP | CAY | doub | 1.41Å | 1.43Å | Aromatic |
| NAM | CAZ | sing | 1.35Å | 1.41Å | |
| CAS | CAT | doub | 1.41Å | 1.41Å | Aromatic |
| CAY | CAT | sing | 1.41Å | 1.42Å | Aromatic |
| CAY | CAX | sing | 1.41Å | 1.41Å | Aromatic |
| CAZ | CAX | sing | 1.47Å | 1.41Å | |
| CAZ | OBA | doub | 1.22Å | 1.24Å | |
| CAT | CAU | sing | 1.41Å | 1.44Å | Aromatic |
| CAX | CAW | doub | 1.39Å | 1.41Å | Aromatic |
| CAU | CAV | doub | 1.37Å | 1.39Å | Aromatic |
| CAW | CAV | sing | 1.39Å | 1.42Å | Aromatic |
| CAK | H1 | sing | 1.09Å | 1.10Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAC | H10 | sing | 1.09Å | 1.10Å | |
| CBB | H11 | sing | 1.08Å | 1.08Å | |
| CAQ | H12 | sing | 1.08Å | 1.08Å | |
| CAR | H13 | sing | 1.08Å | 1.08Å | |
| CAS | H14 | sing | 1.08Å | 1.08Å | |
| CAU | H15 | sing | 1.08Å | 1.08Å | |
| CAV | H16 | sing | 1.08Å | 1.08Å | |
| CAW | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAD | NAB | 126.0° | 125.1° |
| OAE | CAD | NAF | 126.6° | 125.1° |
| NAB | CAD | NAF | 107.3° | 109.7° |
| CAD | NAB | CAC | 125.4° | 125.8° |
| CAD | NAB | CAA | 108.5° | 108.4° |
| CAD | NAF | CAG | 126.1° | 125.8° |
| CAD | NAF | CAH | 110.1° | 108.3° |
| CAC | NAB | CAA | 126.0° | 125.8° |
| NAB | CAC | H8 | 109.5° | 109.5° |
| NAB | CAC | H9 | 109.4° | 109.5° |
| NAB | CAC | H10 | 109.4° | 109.5° |
| CAG | NAF | CAH | 123.8° | 125.9° |
| NAF | CAG | H5 | 109.5° | 109.5° |
| NAF | CAG | H6 | 109.4° | 109.5° |
| NAF | CAG | H7 | 109.5° | 109.5° |
| NAB | CAA | CAH | 106.4° | 106.9° |
| NAB | CAA | CBB | 132.9° | 133.2° |
| NAF | CAH | CAA | 107.6° | 106.8° |
| NAF | CAH | CAI | 132.1° | 133.2° |
| OAO | CAN | CAP | 120.0° | 119.8° |
| OAO | CAN | NAM | 121.1° | 119.8° |
| CAH | CAA | CBB | 120.7° | 119.9° |
| CAA | CAH | CAI | 120.3° | 120.0° |
| CAA | CBB | CAL | 118.4° | 119.8° |
| CAA | CBB | H11 | 120.8° | 120.1° |
| CAH | CAI | CAJ | 119.4° | 119.9° |
| CAH | CAI | H4 | 120.3° | 120.1° |
| CAR | CAQ | CAP | 119.3° | 120.2° |
| CAQ | CAR | CAS | 119.6° | 121.6° |
| CAR | CAQ | H12 | 120.3° | 119.9° |
| CAQ | CAR | H13 | 120.2° | 119.2° |
| CAQ | CAP | CAN | 120.7° | 122.3° |
| CAQ | CAP | CAY | 120.6° | 119.0° |
| CAP | CAQ | H12 | 120.4° | 120.0° |
| CBB | CAL | CAJ | 120.7° | 120.2° |
| CBB | CAL | NAM | 115.9° | 119.9° |
| CAL | CBB | H11 | 120.8° | 120.1° |
| CAI | CAJ | CAL | 120.4° | 120.2° |
| CAI | CAJ | CAK | 123.1° | 119.9° |
| CAJ | CAI | H4 | 120.3° | 120.0° |
| CAP | CAN | NAM | 118.9° | 120.4° |
| CAN | CAP | CAY | 118.6° | 118.7° |
| CAN | NAM | CAL | 120.3° | 118.8° |
| CAN | NAM | CAZ | 122.2° | 122.4° |
| CAR | CAS | CAT | 121.9° | 120.1° |
| CAS | CAR | H13 | 120.2° | 119.2° |
| CAR | CAS | H14 | 119.0° | 120.0° |
| CAL | CAJ | CAK | 116.4° | 119.9° |
| CAJ | CAL | NAM | 123.1° | 120.0° |
| CAJ | CAK | H1 | 109.5° | 109.4° |
| CAJ | CAK | H2 | 109.4° | 109.5° |
| CAJ | CAK | H3 | 109.5° | 109.5° |
| CAL | NAM | CAZ | 117.4° | 118.8° |
| CAP | CAY | CAT | 119.8° | 120.3° |
| CAP | CAY | CAX | 121.1° | 119.5° |
| NAM | CAZ | CAX | 119.2° | 120.3° |
| NAM | CAZ | OBA | 119.0° | 119.8° |
| CAS | CAT | CAY | 118.8° | 118.9° |
| CAS | CAT | CAU | 121.3° | 122.2° |
| CAT | CAS | H14 | 119.1° | 119.9° |
| CAT | CAY | CAX | 119.1° | 120.3° |
| CAY | CAT | CAU | 119.9° | 118.9° |
| CAY | CAX | CAZ | 119.8° | 118.7° |
| CAY | CAX | CAW | 121.2° | 119.0° |
| CAX | CAZ | OBA | 121.8° | 119.9° |
| CAZ | CAX | CAW | 119.0° | 122.3° |
| CAT | CAU | CAV | 119.7° | 120.0° |
| CAT | CAU | H15 | 120.1° | 120.0° |
| CAX | CAW | CAV | 119.1° | 120.2° |
| CAX | CAW | H17 | 120.4° | 119.9° |
| CAU | CAV | CAW | 121.0° | 121.6° |
| CAV | CAU | H15 | 120.2° | 120.0° |
| CAU | CAV | H16 | 119.5° | 119.2° |
| CAW | CAV | H16 | 119.5° | 119.2° |
| CAV | CAW | H17 | 120.5° | 120.0° |
| H1 | CAK | H2 | 109.5° | 109.5° |
| H1 | CAK | H3 | 109.5° | 109.5° |
| H2 | CAK | H3 | 109.5° | 109.5° |
| H5 | CAG | H6 | 109.4° | 109.5° |
| H5 | CAG | H7 | 109.5° | 109.4° |
| H6 | CAG | H7 | 109.5° | 109.5° |
| H8 | CAC | H9 | 109.5° | 109.5° |
| H8 | CAC | H10 | 109.5° | 109.4° |
| H9 | CAC | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAD | NAB | NAF | 178.4° | 179.9° |
| OAE | CAD | NAB | CAC | 0.3° | 0.1° |
| OAE | CAD | NAF | CAG | 1.5° | 0.0° |
| OAE | CAD | NAB | CAA | 178.0° | 179.9° |
| OAE | CAD | NAF | CAH | 179.6° | 179.9° |
| CAD | NAB | CAC | CAA | 177.3° | 180.0° |
| NAB | CAD | NAF | CAG | 180.0° | 179.9° |
| NAB | CAD | NAF | CAH | 1.2° | 0.0° |
| CAD | NAB | CAA | CAH | 1.9° | 0.0° |
| CAD | NAB | CAA | CBB | 179.9° | 180.0° |
| CAD | NAB | CAC | H8 | 180.0° | 0.0° |
| CAD | NAB | CAC | H9 | 60.0° | 120.0° |
| CAD | NAB | CAC | H10 | 60.0° | 120.0° |
| NAF | CAD | NAB | CAC | 178.1° | 180.0° |
| CAD | NAF | CAG | CAH | 178.7° | 179.9° |
| NAF | CAD | NAB | CAA | 0.5° | 0.0° |
| CAD | NAF | CAH | CAA | 2.4° | 0.0° |
| CAD | NAF | CAH | CAI | 179.3° | 180.0° |
| CAD | NAF | CAG | H5 | 180.0° | 90.0° |
| CAD | NAF | CAG | H6 | 60.0° | 30.1° |
| CAD | NAF | CAG | H7 | 60.0° | 150.1° |
| CAC | NAB | CAA | CAH | 179.5° | 180.0° |
| CAC | NAB | CAA | CBB | 2.3° | 0.0° |
| NAB | CAC | H8 | H9 | 120.0° | 120.0° |
| NAB | CAC | H8 | H10 | 120.0° | 120.0° |
| NAB | CAC | H9 | H10 | 119.9° | 120.0° |
| CAG | NAF | CAH | CAA | 178.8° | 180.0° |
| CAG | NAF | CAH | CAI | 1.8° | 0.1° |
| NAF | CAG | H5 | H6 | 120.0° | 120.0° |
| NAF | CAG | H5 | H7 | 120.0° | 120.0° |
| NAF | CAG | H6 | H7 | 120.0° | 120.0° |
| NAB | CAA | CAH | NAF | 2.6° | 0.0° |
| NAB | CAA | CAH | CBB | 178.5° | 180.0° |
| NAB | CAA | CAH | CAI | 179.9° | 180.0° |
| NAB | CAA | CBB | CAL | 176.9° | 180.0° |
| CAA | NAB | CAC | H8 | 2.7° | 179.9° |
| CAA | NAB | CAC | H9 | 117.3° | 60.0° |
| CAA | NAB | CAC | H10 | 122.8° | 60.0° |
| NAB | CAA | CBB | H11 | 3.1° | 0.0° |
| NAF | CAH | CAA | CAI | 177.4° | 180.0° |
| NAF | CAH | CAA | CBB | 178.9° | 180.0° |
| NAF | CAH | CAI | CAJ | 178.0° | 180.0° |
| NAF | CAH | CAI | H4 | 2.0° | 0.1° |
| CAH | NAF | CAG | H5 | 1.3° | 89.9° |
| CAH | NAF | CAG | H6 | 118.7° | 150.0° |
| CAH | NAF | CAG | H7 | 121.3° | 30.0° |
| OAO | CAN | CAP | CAQ | 0.2° | 0.0° |
| OAO | CAN | CAP | NAM | 179.7° | 180.0° |
| OAO | CAN | NAM | CAL | 1.2° | 0.1° |
| OAO | CAN | CAP | CAY | 175.8° | 180.0° |
| OAO | CAN | NAM | CAZ | 177.1° | 179.7° |
| CAH | CAA | CBB | CAL | 1.1° | 0.0° |
| CAA | CAH | CAI | CAJ | 1.4° | 0.0° |
| CAA | CAH | CAI | H4 | 178.6° | 180.0° |
| CAH | CAA | CBB | H11 | 178.9° | 180.0° |
| CBB | CAA | CAH | CAI | 1.6° | 0.0° |
| CAA | CBB | CAL | H11 | 180.0° | 180.0° |
| CAA | CBB | CAL | CAJ | 4.0° | 0.0° |
| CAA | CBB | CAL | NAM | 177.2° | 179.7° |
| CAH | CAI | CAJ | H4 | 180.0° | 179.9° |
| CAH | CAI | CAJ | CAL | 1.5° | 0.0° |
| CAH | CAI | CAJ | CAK | 177.2° | 179.7° |
| CAR | CAQ | CAP | H12 | 180.0° | 180.0° |
| CAR | CAQ | CAP | CAN | 177.2° | 180.0° |
| CAQ | CAR | CAS | H13 | 180.0° | 180.0° |
| CAR | CAQ | CAP | CAY | 1.8° | 0.0° |
| CAQ | CAR | CAS | CAT | 1.7° | 0.2° |
| CAQ | CAR | CAS | H14 | 178.3° | 180.0° |
| CAQ | CAP | CAN | CAY | 175.6° | 180.0° |
| CAQ | CAP | CAN | NAM | 179.9° | 180.0° |
| CAP | CAQ | CAR | CAS | 1.7° | 0.0° |
| CAQ | CAP | CAY | CAT | 1.8° | 0.1° |
| CAQ | CAP | CAY | CAX | 179.8° | 180.0° |
| CAP | CAQ | CAR | H13 | 178.3° | 180.0° |
| CBB | CAL | CAJ | CAI | 4.2° | 0.0° |
| CBB | CAL | NAM | CAN | 103.8° | 90.0° |
| CBB | CAL | CAJ | NAM | 172.7° | 179.8° |
| CBB | CAL | CAJ | CAK | 179.8° | 179.8° |
| CBB | CAL | NAM | CAZ | 72.3° | 89.8° |
| CAI | CAJ | CAL | CAK | 176.1° | 179.8° |
| CAI | CAJ | CAL | NAM | 176.9° | 179.8° |
| CAI | CAJ | CAK | H1 | 92.3° | 89.8° |
| CAI | CAJ | CAK | H2 | 147.7° | 30.2° |
| CAI | CAJ | CAK | H3 | 27.7° | 150.3° |
| CAP | CAN | NAM | CAL | 179.1° | 179.9° |
| CAP | CAN | NAM | CAZ | 3.2° | 0.2° |
| CAN | CAP | CAY | CAT | 177.4° | 179.9° |
| CAN | CAP | CAY | CAX | 4.2° | 0.0° |
| CAN | CAP | CAQ | H12 | 2.7° | 0.0° |
| CAN | NAM | CAL | CAJ | 69.2° | 90.2° |
| CAN | NAM | CAL | CAZ | 176.1° | 179.8° |
| NAM | CAN | CAP | CAY | 4.5° | 0.0° |
| CAN | NAM | CAZ | CAX | 1.3° | 0.5° |
| CAN | NAM | CAZ | OBA | 179.6° | 179.7° |
| CAR | CAS | CAT | H14 | 180.0° | 179.9° |
| CAR | CAS | CAT | CAY | 1.7° | 0.2° |
| CAR | CAS | CAT | CAU | 176.8° | 179.9° |
| CAS | CAR | CAQ | H12 | 178.3° | 180.0° |
| CAJ | CAL | NAM | CAZ | 114.7° | 90.0° |
| CAL | CAJ | CAK | H1 | 91.8° | 90.0° |
| CAL | CAJ | CAK | H2 | 28.2° | 150.0° |
| CAL | CAJ | CAK | H3 | 148.2° | 30.0° |
| CAL | CAJ | CAI | H4 | 178.5° | 180.0° |
| CAJ | CAL | CBB | H11 | 176.0° | 180.0° |
| CAK | CAJ | CAL | NAM | 7.1° | 0.0° |
| CAJ | CAK | H1 | H2 | 120.0° | 120.0° |
| CAJ | CAK | H1 | H3 | 120.0° | 120.0° |
| CAJ | CAK | H2 | H3 | 120.0° | 120.0° |
| CAK | CAJ | CAI | H4 | 2.7° | 0.2° |
| CAL | NAM | CAZ | CAX | 177.3° | 179.7° |
| CAL | NAM | CAZ | OBA | 4.3° | 0.1° |
| NAM | CAL | CBB | H11 | 2.8° | 0.2° |
| CAP | CAY | CAT | CAS | 1.7° | 0.2° |
| CAP | CAY | CAT | CAX | 178.4° | 180.0° |
| CAP | CAY | CAX | CAZ | 2.4° | 0.2° |
| CAP | CAY | CAT | CAU | 176.8° | 179.9° |
| CAP | CAY | CAX | CAW | 177.4° | 179.9° |
| CAY | CAP | CAQ | H12 | 178.2° | 180.0° |
| NAM | CAZ | CAX | CAY | 0.8° | 0.5° |
| NAM | CAZ | CAX | OBA | 178.3° | 179.8° |
| NAM | CAZ | CAX | CAW | 179.0° | 179.8° |
| CAS | CAT | CAY | CAU | 178.6° | 179.9° |
| CAS | CAT | CAY | CAX | 179.9° | 179.9° |
| CAS | CAT | CAU | CAV | 179.5° | 179.9° |
| CAT | CAS | CAR | H13 | 178.3° | 179.9° |
| CAS | CAT | CAU | H15 | 0.6° | 0.0° |
| CAT | CAY | CAX | CAZ | 179.2° | 179.7° |
| CAT | CAY | CAX | CAW | 1.0° | 0.0° |
| CAY | CAT | CAU | CAV | 2.0° | 0.1° |
| CAY | CAT | CAS | H14 | 178.3° | 179.9° |
| CAY | CAT | CAU | H15 | 178.0° | 180.0° |
| CAY | CAX | CAZ | CAW | 179.8° | 179.7° |
| CAY | CAX | CAZ | OBA | 179.2° | 179.7° |
| CAX | CAY | CAT | CAU | 1.6° | 0.1° |
| CAY | CAX | CAW | CAV | 0.8° | 0.0° |
| CAY | CAX | CAW | H17 | 179.2° | 180.0° |
| CAZ | CAX | CAW | CAV | 179.4° | 179.7° |
| CAZ | CAX | CAW | H17 | 0.6° | 0.3° |
| OBA | CAZ | CAX | CAW | 0.6° | 0.0° |
| CAT | CAU | CAV | H15 | 180.0° | 179.9° |
| CAT | CAU | CAV | CAW | 1.8° | 0.0° |
| CAU | CAT | CAS | H14 | 3.2° | 0.0° |
| CAT | CAU | CAV | H16 | 178.2° | 180.0° |
| CAX | CAW | CAV | CAU | 1.2° | 0.0° |
| CAX | CAW | CAV | H17 | 180.0° | 180.0° |
| CAX | CAW | CAV | H16 | 178.8° | 180.0° |
| CAU | CAV | CAW | H16 | 180.0° | 180.0° |
| CAU | CAV | CAW | H17 | 178.8° | 180.0° |
| CAW | CAV | CAU | H15 | 178.1° | 179.9° |
| H1 | CAK | H2 | H3 | 120.0° | 120.1° |
| H5 | CAG | H6 | H7 | 120.0° | 119.9° |
| H8 | CAC | H9 | H10 | 120.1° | 120.0° |
| H12 | CAQ | CAR | H13 | 1.7° | 0.0° |
| H13 | CAR | CAS | H14 | 1.7° | 0.0° |
| H15 | CAU | CAV | H16 | 1.9° | 0.1° |
| H16 | CAV | CAW | H17 | 1.2° | 0.0° |
