9LK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAS | sing | 1.51Å | 1.53Å | |
| NAM | CAS | doub | 1.31Å | 1.33Å | Aromatic |
| NAM | CAU | sing | 1.34Å | 1.33Å | Aromatic |
| CAS | OAP | sing | 1.34Å | 1.33Å | Aromatic |
| CAB | CAU | sing | 1.51Å | 1.53Å | |
| CAU | CAX | doub | 1.36Å | 1.34Å | Aromatic |
| OAP | CAX | sing | 1.35Å | 1.37Å | Aromatic |
| CAX | CAQ | sing | 1.47Å | 1.34Å | |
| CAQ | OAC | doub | 1.22Å | 1.23Å | |
| CAQ | NAN | sing | 1.35Å | 1.36Å | |
| NAN | CAT | sing | 1.40Å | 1.35Å | |
| CAT | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAT | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | NAL | doub | 1.32Å | 1.40Å | Aromatic |
| CAJ | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| NAL | CAW | sing | 1.32Å | 1.34Å | Aromatic |
| CAW | OAO | sing | 1.36Å | 1.37Å | |
| CAI | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| OAO | CAV | sing | 1.36Å | 1.36Å | |
| CAV | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | CL | sing | 1.74Å | 1.73Å | |
| CAR | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAE | H7 | sing | 1.08Å | 1.08Å | |
| CAF | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAI | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| CAK | H13 | sing | 1.08Å | 1.08Å | |
| NAN | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAS | NAM | 125.1° | 125.4° |
| CAA | CAS | OAP | 123.7° | 125.4° |
| CAS | CAA | H1 | 109.5° | 109.5° |
| CAS | CAA | H2 | 109.5° | 109.5° |
| CAS | CAA | H3 | 109.5° | 109.4° |
| CAS | NAM | CAU | 106.5° | 109.0° |
| NAM | CAS | OAP | 111.1° | 109.2° |
| NAM | CAU | CAB | 122.0° | 126.3° |
| NAM | CAU | CAX | 109.2° | 107.5° |
| CAS | OAP | CAX | 105.7° | 107.7° |
| CAB | CAU | CAX | 128.8° | 126.3° |
| CAU | CAB | H4 | 109.5° | 109.5° |
| CAU | CAB | H5 | 109.5° | 109.5° |
| CAU | CAB | H6 | 109.5° | 109.5° |
| CAU | CAX | OAP | 107.4° | 106.7° |
| CAU | CAX | CAQ | 130.5° | 126.7° |
| OAP | CAX | CAQ | 122.1° | 126.6° |
| CAX | CAQ | OAC | 121.8° | 120.0° |
| CAX | CAQ | NAN | 112.2° | 120.0° |
| OAC | CAQ | NAN | 125.9° | 120.0° |
| CAQ | NAN | CAT | 125.0° | 120.0° |
| CAQ | NAN | H14 | 117.5° | 120.1° |
| NAN | CAT | CAG | 125.5° | 120.4° |
| NAN | CAT | CAK | 117.1° | 120.4° |
| CAT | NAN | H14 | 117.5° | 120.0° |
| CAG | CAT | CAK | 117.4° | 119.1° |
| CAT | CAG | CAJ | 120.7° | 118.5° |
| CAT | CAG | H9 | 119.6° | 120.8° |
| CAT | CAK | NAL | 121.2° | 120.7° |
| CAT | CAK | H13 | 119.4° | 119.7° |
| CAG | CAJ | CAW | 120.2° | 119.2° |
| CAJ | CAG | H9 | 119.7° | 120.7° |
| CAG | CAJ | H12 | 119.9° | 120.4° |
| CAK | NAL | CAW | 120.9° | 121.7° |
| NAL | CAK | H13 | 119.4° | 119.6° |
| CAJ | CAW | NAL | 119.6° | 120.8° |
| CAJ | CAW | OAO | 122.0° | 119.6° |
| CAW | CAJ | H12 | 119.9° | 120.4° |
| NAL | CAW | OAO | 118.4° | 119.6° |
| CAW | OAO | CAV | 119.9° | 118.0° |
| CAF | CAI | CAV | 119.8° | 120.0° |
| CAI | CAF | CAR | 120.4° | 120.1° |
| CAI | CAF | H8 | 119.8° | 119.9° |
| CAF | CAI | H11 | 120.1° | 120.1° |
| CAI | CAV | OAO | 122.4° | 120.1° |
| CAI | CAV | CAH | 119.6° | 119.9° |
| CAV | CAI | H11 | 120.1° | 119.9° |
| CAF | CAR | CL | 120.6° | 120.0° |
| CAF | CAR | CAE | 119.8° | 120.1° |
| CAR | CAF | H8 | 119.8° | 120.0° |
| OAO | CAV | CAH | 118.0° | 120.0° |
| CAV | CAH | CAE | 120.5° | 119.9° |
| CAV | CAH | H10 | 119.7° | 120.1° |
| CL | CAR | CAE | 119.6° | 120.0° |
| CAR | CAE | CAH | 119.9° | 120.0° |
| CAR | CAE | H7 | 120.0° | 120.0° |
| CAH | CAE | H7 | 120.1° | 120.0° |
| CAE | CAH | H10 | 119.7° | 120.0° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.4° |
| H5 | CAB | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAS | NAM | OAP | 179.3° | 179.7° |
| CAA | CAS | NAM | CAU | 179.7° | 180.0° |
| CAA | CAS | OAP | CAX | 179.8° | 180.0° |
| CAS | CAA | H1 | H2 | 120.0° | 120.0° |
| CAS | CAA | H1 | H3 | 120.0° | 119.9° |
| CAS | CAA | H2 | H3 | 120.0° | 120.0° |
| CAS | NAM | CAU | CAB | 180.0° | 179.8° |
| CAS | NAM | CAU | CAX | 0.2° | 0.2° |
| NAM | CAS | OAP | CAX | 0.5° | 0.3° |
| NAM | CAS | CAA | H1 | 0.0° | 179.7° |
| NAM | CAS | CAA | H2 | 120.0° | 59.7° |
| NAM | CAS | CAA | H3 | 120.0° | 60.3° |
| CAU | NAM | CAS | OAP | 0.4° | 0.3° |
| NAM | CAU | CAB | CAX | 179.8° | 180.0° |
| NAM | CAU | CAX | OAP | 0.1° | 0.0° |
| NAM | CAU | CAX | CAQ | 179.9° | 180.0° |
| NAM | CAU | CAB | H4 | 0.0° | 90.0° |
| NAM | CAU | CAB | H5 | 120.0° | 30.0° |
| NAM | CAU | CAB | H6 | 120.0° | 150.0° |
| CAS | OAP | CAX | CAU | 0.4° | 0.2° |
| CAS | OAP | CAX | CAQ | 179.7° | 179.8° |
| OAP | CAS | CAA | H1 | 179.2° | 0.1° |
| OAP | CAS | CAA | H2 | 60.8° | 120.0° |
| OAP | CAS | CAA | H3 | 59.2° | 120.0° |
| CAB | CAU | CAX | OAP | 179.7° | 180.0° |
| CAB | CAU | CAX | CAQ | 0.2° | 0.0° |
| CAU | CAB | H4 | H5 | 120.0° | 120.1° |
| CAU | CAB | H4 | H6 | 120.0° | 120.0° |
| CAU | CAB | H5 | H6 | 120.0° | 120.0° |
| CAU | CAX | OAP | CAQ | 179.9° | 180.0° |
| CAU | CAX | CAQ | OAC | 3.1° | 0.0° |
| CAU | CAX | CAQ | NAN | 178.5° | 180.0° |
| CAX | CAU | CAB | H4 | 179.8° | 90.0° |
| CAX | CAU | CAB | H5 | 59.8° | 150.0° |
| CAX | CAU | CAB | H6 | 60.1° | 30.0° |
| OAP | CAX | CAQ | OAC | 177.0° | 180.0° |
| OAP | CAX | CAQ | NAN | 1.4° | 0.0° |
| CAX | CAQ | OAC | NAN | 178.1° | 180.0° |
| CAX | CAQ | NAN | CAT | 179.3° | 174.3° |
| CAX | CAQ | NAN | H14 | 0.7° | 5.7° |
| OAC | CAQ | NAN | CAT | 2.4° | 5.7° |
| OAC | CAQ | NAN | H14 | 177.6° | 174.2° |
| CAQ | NAN | CAT | H14 | 180.0° | 180.0° |
| CAQ | NAN | CAT | CAG | 7.7° | 25.8° |
| CAQ | NAN | CAT | CAK | 173.4° | 154.2° |
| NAN | CAT | CAG | CAK | 178.8° | 179.9° |
| NAN | CAT | CAG | CAJ | 179.5° | 180.0° |
| NAN | CAT | CAK | NAL | 179.5° | 179.4° |
| NAN | CAT | CAG | H9 | 0.5° | 0.2° |
| NAN | CAT | CAK | H13 | 0.5° | 0.4° |
| CAT | CAG | CAJ | H9 | 180.0° | 179.7° |
| CAG | CAT | CAK | NAL | 0.5° | 0.6° |
| CAT | CAG | CAJ | CAW | 0.1° | 0.3° |
| CAT | CAG | CAJ | H12 | 179.8° | 179.7° |
| CAG | CAT | CAK | H13 | 179.4° | 179.7° |
| CAG | CAT | NAN | H14 | 172.3° | 154.3° |
| CAK | CAT | CAG | CAJ | 0.6° | 0.0° |
| CAT | CAK | NAL | H13 | 180.0° | 179.0° |
| CAT | CAK | NAL | CAW | 0.3° | 0.9° |
| CAK | CAT | CAG | H9 | 179.4° | 179.7° |
| CAK | CAT | NAN | H14 | 6.6° | 25.8° |
| CAG | CAJ | CAW | H12 | 180.0° | 180.0° |
| CAG | CAJ | CAW | NAL | 1.0° | 0.0° |
| CAG | CAJ | CAW | OAO | 179.0° | 180.0° |
| CAK | NAL | CAW | CAJ | 1.1° | 0.6° |
| CAK | NAL | CAW | OAO | 179.2° | 179.4° |
| CAJ | CAW | NAL | OAO | 178.0° | 180.0° |
| CAJ | CAW | OAO | CAV | 53.2° | 175.0° |
| CAW | CAJ | CAG | H9 | 179.9° | 180.0° |
| NAL | CAW | OAO | CAV | 128.8° | 5.0° |
| NAL | CAW | CAJ | H12 | 179.0° | 180.0° |
| CAW | NAL | CAK | H13 | 179.7° | 180.0° |
| CAW | OAO | CAV | CAI | 38.6° | 75.1° |
| CAW | OAO | CAV | CAH | 143.1° | 104.6° |
| OAO | CAW | CAJ | H12 | 1.0° | 0.0° |
| CAF | CAI | CAV | H11 | 180.0° | 179.7° |
| CAI | CAF | CAR | H8 | 180.0° | 180.0° |
| CAF | CAI | CAV | OAO | 179.2° | 180.0° |
| CAF | CAI | CAV | CAH | 0.9° | 0.2° |
| CAI | CAF | CAR | CL | 179.9° | 180.0° |
| CAI | CAF | CAR | CAE | 0.0° | 0.0° |
| CAV | CAI | CAF | CAR | 0.4° | 0.2° |
| CAI | CAV | OAO | CAH | 178.4° | 179.7° |
| CAI | CAV | CAH | CAE | 0.9° | 0.0° |
| CAV | CAI | CAF | H8 | 179.6° | 179.7° |
| CAI | CAV | CAH | H10 | 179.1° | 180.0° |
| CAF | CAR | CL | CAE | 179.9° | 180.0° |
| CAF | CAR | CAE | CAH | 0.1° | 0.2° |
| CAF | CAR | CAE | H7 | 179.9° | 179.9° |
| CAR | CAF | CAI | H11 | 179.6° | 179.9° |
| OAO | CAV | CAH | CAE | 179.4° | 179.7° |
| OAO | CAV | CAH | H10 | 0.7° | 0.2° |
| OAO | CAV | CAI | H11 | 0.8° | 0.3° |
| CAV | CAH | CAE | CAR | 0.6° | 0.2° |
| CAV | CAH | CAE | H10 | 180.0° | 180.0° |
| CAV | CAH | CAE | H7 | 179.4° | 179.9° |
| CAH | CAV | CAI | H11 | 179.1° | 179.9° |
| CL | CAR | CAE | CAH | 179.8° | 179.8° |
| CL | CAR | CAE | H7 | 0.2° | 0.1° |
| CL | CAR | CAF | H8 | 0.1° | 0.0° |
| CAR | CAE | CAH | H7 | 180.0° | 179.8° |
| CAE | CAR | CAF | H8 | 180.0° | 180.0° |
| CAR | CAE | CAH | H10 | 179.5° | 179.8° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAB | H5 | H6 | 120.0° | 119.9° |
| H7 | CAE | CAH | H10 | 0.5° | 0.0° |
| H8 | CAF | CAI | H11 | 0.4° | 0.0° |
| H9 | CAG | CAJ | H12 | 0.1° | 0.0° |
