2LK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAM | NAL | sing | 1.21Å | 1.38Å | Aromatic |
| OAM | CAN | sing | 1.34Å | 1.39Å | Aromatic |
| NAL | CAK | doub | 1.30Å | 1.36Å | Aromatic |
| CAN | CAU | sing | 1.51Å | 1.53Å | |
| CAN | CAJ | doub | 1.37Å | 1.37Å | Aromatic |
| CAK | CAJ | sing | 1.42Å | 1.37Å | Aromatic |
| CAK | CAV | sing | 1.51Å | 1.54Å | |
| CAJ | CAD | sing | 1.49Å | 1.41Å | |
| CAD | CAE | doub | 1.40Å | 1.40Å | Aromatic |
| CAD | CAC | sing | 1.39Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.41Å | Aromatic |
| CAC | CAB | doub | 1.40Å | 1.37Å | Aromatic |
| CAF | CAA | doub | 1.39Å | 1.34Å | Aromatic |
| CAB | CAA | sing | 1.41Å | 1.36Å | Aromatic |
| CAB | NAI | sing | 1.36Å | 1.35Å | Aromatic |
| CAA | NAG | sing | 1.38Å | 1.37Å | Aromatic |
| NAI | CAH | doub | 1.30Å | 1.34Å | Aromatic |
| NAG | CAH | sing | 1.36Å | 1.33Å | Aromatic |
| NAG | CAX | sing | 1.47Å | 1.52Å | |
| CAR | CAS | doub | 1.38Å | 1.38Å | Aromatic |
| CAR | CAQ | sing | 1.38Å | 1.38Å | Aromatic |
| CAS | CAT | sing | 1.38Å | 1.38Å | Aromatic |
| CAX | CAQ | sing | 1.51Å | 1.45Å | |
| CAQ | CAP | doub | 1.38Å | 1.41Å | Aromatic |
| CAT | CL | sing | 1.74Å | 1.73Å | |
| CAT | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAU | H1 | sing | 1.09Å | 1.10Å | |
| CAU | H2 | sing | 1.09Å | 1.10Å | |
| CAU | H3 | sing | 1.09Å | 1.10Å | |
| CAV | H4 | sing | 1.09Å | 1.10Å | |
| CAV | H5 | sing | 1.09Å | 1.10Å | |
| CAV | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAX | H11 | sing | 1.09Å | 1.10Å | |
| CAX | H12 | sing | 1.09Å | 1.10Å | |
| CAP | H13 | sing | 1.08Å | 1.08Å | |
| CAO | H14 | sing | 1.08Å | 1.08Å | |
| CAS | H15 | sing | 1.08Å | 1.08Å | |
| CAR | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAL | OAM | CAN | 106.9° | 111.9° |
| OAM | NAL | CAK | 107.4° | 111.9° |
| OAM | CAN | CAU | 121.5° | 126.9° |
| OAM | CAN | CAJ | 109.2° | 106.2° |
| NAL | CAK | CAJ | 110.5° | 106.3° |
| NAL | CAK | CAV | 122.3° | 126.9° |
| CAU | CAN | CAJ | 129.3° | 126.9° |
| CAN | CAU | H1 | 109.5° | 109.5° |
| CAN | CAU | H2 | 109.4° | 109.5° |
| CAN | CAU | H3 | 109.5° | 109.4° |
| CAN | CAJ | CAK | 106.0° | 103.7° |
| CAN | CAJ | CAD | 127.0° | 128.1° |
| CAJ | CAK | CAV | 127.2° | 126.9° |
| CAK | CAJ | CAD | 127.0° | 128.1° |
| CAK | CAV | H4 | 109.5° | 109.5° |
| CAK | CAV | H5 | 109.5° | 109.5° |
| CAK | CAV | H6 | 109.5° | 109.5° |
| CAJ | CAD | CAE | 120.5° | 119.9° |
| CAJ | CAD | CAC | 124.0° | 119.8° |
| CAE | CAD | CAC | 115.5° | 120.3° |
| CAD | CAE | CAF | 122.4° | 120.4° |
| CAD | CAE | H8 | 118.8° | 119.8° |
| CAD | CAC | CAB | 120.4° | 119.6° |
| CAD | CAC | H7 | 119.8° | 120.2° |
| CAE | CAF | CAA | 119.1° | 120.0° |
| CAF | CAE | H8 | 118.8° | 119.8° |
| CAE | CAF | H9 | 120.5° | 120.1° |
| CAC | CAB | CAA | 122.4° | 119.6° |
| CAC | CAB | NAI | 130.3° | 133.4° |
| CAB | CAC | H7 | 119.8° | 120.2° |
| CAF | CAA | CAB | 119.9° | 120.1° |
| CAF | CAA | NAG | 131.8° | 133.9° |
| CAA | CAF | H9 | 120.5° | 120.0° |
| CAA | CAB | NAI | 107.2° | 106.9° |
| CAB | CAA | NAG | 108.1° | 106.0° |
| CAB | NAI | CAH | 108.3° | 109.6° |
| CAA | NAG | CAH | 107.0° | 107.3° |
| CAA | NAG | CAX | 125.1° | 126.3° |
| NAI | CAH | NAG | 109.4° | 110.1° |
| NAI | CAH | H10 | 125.3° | 124.9° |
| CAH | NAG | CAX | 127.9° | 126.4° |
| NAG | CAH | H10 | 125.3° | 125.0° |
| NAG | CAX | CAQ | 108.2° | 109.4° |
| NAG | CAX | H11 | 109.8° | 109.5° |
| NAG | CAX | H12 | 109.8° | 109.5° |
| CAS | CAR | CAQ | 124.2° | 120.0° |
| CAR | CAS | CAT | 117.2° | 120.0° |
| CAR | CAS | H15 | 121.4° | 120.0° |
| CAS | CAR | H16 | 117.9° | 120.0° |
| CAR | CAQ | CAX | 120.7° | 120.0° |
| CAR | CAQ | CAP | 118.1° | 120.0° |
| CAQ | CAR | H16 | 117.9° | 120.0° |
| CAS | CAT | CL | 119.9° | 120.0° |
| CAS | CAT | CAO | 120.8° | 119.9° |
| CAT | CAS | H15 | 121.4° | 120.0° |
| CAX | CAQ | CAP | 121.2° | 120.0° |
| CAQ | CAX | H11 | 109.8° | 109.4° |
| CAQ | CAX | H12 | 109.8° | 109.5° |
| CAQ | CAP | CAO | 118.2° | 120.0° |
| CAQ | CAP | H13 | 120.9° | 120.0° |
| CL | CAT | CAO | 119.3° | 120.1° |
| CAT | CAO | CAP | 121.3° | 120.0° |
| CAT | CAO | H14 | 119.3° | 120.0° |
| CAO | CAP | H13 | 120.9° | 120.0° |
| CAP | CAO | H14 | 119.3° | 120.0° |
| H1 | CAU | H2 | 109.5° | 109.5° |
| H1 | CAU | H3 | 109.5° | 109.5° |
| H2 | CAU | H3 | 109.5° | 109.4° |
| H4 | CAV | H5 | 109.5° | 109.5° |
| H4 | CAV | H6 | 109.4° | 109.4° |
| H5 | CAV | H6 | 109.5° | 109.5° |
| H11 | CAX | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAL | OAM | CAN | CAU | 179.3° | 180.0° |
| NAL | OAM | CAN | CAJ | 0.7° | 0.2° |
| OAM | NAL | CAK | CAJ | 0.1° | 0.3° |
| OAM | NAL | CAK | CAV | 179.7° | 180.0° |
| CAN | OAM | NAL | CAK | 0.3° | 0.0° |
| OAM | CAN | CAU | CAJ | 178.3° | 179.7° |
| OAM | CAN | CAJ | CAK | 0.7° | 0.4° |
| OAM | CAN | CAJ | CAD | 178.3° | 179.7° |
| OAM | CAN | CAU | H1 | 0.0° | 89.7° |
| OAM | CAN | CAU | H2 | 120.0° | 30.4° |
| OAM | CAN | CAU | H3 | 120.0° | 150.3° |
| NAL | CAK | CAJ | CAN | 0.5° | 0.4° |
| NAL | CAK | CAJ | CAV | 179.8° | 179.7° |
| NAL | CAK | CAJ | CAD | 178.1° | 179.7° |
| NAL | CAK | CAV | H4 | 0.0° | 90.0° |
| NAL | CAK | CAV | H5 | 120.0° | 150.0° |
| NAL | CAK | CAV | H6 | 120.0° | 30.0° |
| CAU | CAN | CAJ | CAK | 179.2° | 179.9° |
| CAU | CAN | CAJ | CAD | 3.2° | 0.0° |
| CAN | CAU | H1 | H2 | 120.0° | 120.1° |
| CAN | CAU | H1 | H3 | 120.0° | 120.0° |
| CAN | CAU | H2 | H3 | 120.0° | 119.9° |
| CAN | CAJ | CAK | CAD | 177.6° | 179.9° |
| CAN | CAJ | CAK | CAV | 179.3° | 179.9° |
| CAN | CAJ | CAD | CAE | 54.4° | 65.0° |
| CAN | CAJ | CAD | CAC | 127.4° | 114.8° |
| CAJ | CAN | CAU | H1 | 178.3° | 90.0° |
| CAJ | CAN | CAU | H2 | 58.3° | 149.9° |
| CAJ | CAN | CAU | H3 | 61.7° | 30.0° |
| CAK | CAJ | CAD | CAE | 122.8° | 114.9° |
| CAK | CAJ | CAD | CAC | 55.5° | 65.3° |
| CAJ | CAK | CAV | H4 | 179.8° | 89.7° |
| CAJ | CAK | CAV | H5 | 59.8° | 30.3° |
| CAJ | CAK | CAV | H6 | 60.2° | 150.3° |
| CAV | CAK | CAJ | CAD | 1.6° | 0.0° |
| CAK | CAV | H4 | H5 | 120.0° | 120.0° |
| CAK | CAV | H4 | H6 | 120.0° | 120.0° |
| CAK | CAV | H5 | H6 | 120.0° | 120.0° |
| CAJ | CAD | CAE | CAC | 178.4° | 179.7° |
| CAJ | CAD | CAE | CAF | 179.5° | 180.0° |
| CAJ | CAD | CAC | CAB | 179.7° | 179.9° |
| CAJ | CAD | CAC | H7 | 0.3° | 0.0° |
| CAJ | CAD | CAE | H8 | 0.5° | 0.0° |
| CAD | CAE | CAF | H8 | 180.0° | 180.0° |
| CAE | CAD | CAC | CAB | 2.0° | 0.2° |
| CAD | CAE | CAF | CAA | 2.8° | 0.0° |
| CAE | CAD | CAC | H7 | 178.0° | 179.8° |
| CAD | CAE | CAF | H9 | 177.2° | 180.0° |
| CAC | CAD | CAE | CAF | 1.2° | 0.3° |
| CAD | CAC | CAB | H7 | 180.0° | 179.9° |
| CAD | CAC | CAB | CAA | 4.7° | 0.1° |
| CAD | CAC | CAB | NAI | 179.0° | 180.0° |
| CAC | CAD | CAE | H8 | 178.8° | 179.8° |
| CAE | CAF | CAA | H9 | 180.0° | 180.0° |
| CAE | CAF | CAA | CAB | 5.3° | 0.3° |
| CAE | CAF | CAA | NAG | 179.2° | 180.0° |
| CAC | CAB | CAA | CAF | 6.4° | 0.4° |
| CAC | CAB | CAA | NAI | 175.4° | 179.9° |
| CAC | CAB | CAA | NAG | 178.4° | 179.9° |
| CAC | CAB | NAI | CAH | 177.8° | 180.0° |
| CAF | CAA | CAB | NAG | 175.2° | 179.7° |
| CAF | CAA | CAB | NAI | 178.2° | 179.7° |
| CAF | CAA | NAG | CAH | 176.4° | 179.6° |
| CAF | CAA | NAG | CAX | 5.4° | 0.0° |
| CAA | CAF | CAE | H8 | 177.2° | 180.0° |
| CAA | CAB | NAI | CAH | 2.8° | 0.1° |
| CAB | CAA | NAG | CAH | 2.0° | 0.1° |
| CAB | CAA | NAG | CAX | 179.9° | 179.7° |
| CAA | CAB | CAC | H7 | 175.3° | 179.9° |
| CAB | CAA | CAF | H9 | 174.7° | 179.7° |
| NAI | CAB | CAA | NAG | 3.0° | 0.0° |
| CAB | NAI | CAH | NAG | 1.6° | 0.2° |
| NAI | CAB | CAC | H7 | 1.0° | 0.1° |
| CAB | NAI | CAH | H10 | 178.4° | 180.0° |
| CAA | NAG | CAH | NAI | 0.2° | 0.2° |
| CAA | NAG | CAH | CAX | 178.1° | 179.6° |
| CAA | NAG | CAX | CAQ | 80.5° | 85.0° |
| NAG | CAA | CAF | H9 | 0.8° | 0.0° |
| CAA | NAG | CAH | H10 | 179.8° | 180.0° |
| CAA | NAG | CAX | H11 | 39.3° | 155.0° |
| CAA | NAG | CAX | H12 | 159.7° | 35.0° |
| NAI | CAH | NAG | H10 | 180.0° | 179.8° |
| NAI | CAH | NAG | CAX | 178.3° | 179.8° |
| CAH | NAG | CAX | CAQ | 97.3° | 95.5° |
| CAH | NAG | CAX | H11 | 142.9° | 24.5° |
| CAH | NAG | CAX | H12 | 22.5° | 144.5° |
| NAG | CAX | CAQ | CAR | 110.3° | 90.2° |
| NAG | CAX | CAQ | H11 | 119.8° | 120.0° |
| NAG | CAX | CAQ | H12 | 119.8° | 120.1° |
| NAG | CAX | CAQ | CAP | 70.6° | 89.9° |
| CAX | NAG | CAH | H10 | 1.7° | 0.5° |
| NAG | CAX | H11 | H12 | 120.5° | 120.1° |
| CAS | CAR | CAQ | H16 | 180.0° | 179.6° |
| CAR | CAS | CAT | H15 | 180.0° | 179.8° |
| CAS | CAR | CAQ | CAX | 178.7° | 179.7° |
| CAS | CAR | CAQ | CAP | 2.2° | 0.4° |
| CAR | CAS | CAT | CL | 178.6° | 179.7° |
| CAR | CAS | CAT | CAO | 1.3° | 0.3° |
| CAQ | CAR | CAS | CAT | 2.0° | 0.5° |
| CAR | CAQ | CAX | CAP | 179.1° | 179.8° |
| CAR | CAQ | CAP | CAO | 0.7° | 0.2° |
| CAR | CAQ | CAX | H11 | 9.5° | 149.8° |
| CAR | CAQ | CAX | H12 | 129.9° | 29.8° |
| CAR | CAQ | CAP | H13 | 179.3° | 179.8° |
| CAQ | CAR | CAS | H15 | 178.0° | 179.7° |
| CAS | CAT | CL | CAO | 177.3° | 180.0° |
| CAS | CAT | CAO | CAP | 4.2° | 0.0° |
| CAS | CAT | CAO | H14 | 175.8° | 180.0° |
| CAT | CAS | CAR | H16 | 178.0° | 179.9° |
| CAX | CAQ | CAP | CAO | 178.4° | 180.0° |
| CAQ | CAX | H11 | H12 | 120.6° | 120.0° |
| CAX | CAQ | CAP | H13 | 1.6° | 0.0° |
| CAX | CAQ | CAR | H16 | 1.3° | 0.2° |
| CAQ | CAP | CAO | CAT | 3.9° | 0.0° |
| CAQ | CAP | CAO | H13 | 180.0° | 180.0° |
| CAP | CAQ | CAX | H11 | 169.6° | 30.1° |
| CAP | CAQ | CAX | H12 | 49.2° | 150.0° |
| CAQ | CAP | CAO | H14 | 176.1° | 180.0° |
| CAP | CAQ | CAR | H16 | 177.8° | 180.0° |
| CL | CAT | CAO | CAP | 178.5° | 180.0° |
| CL | CAT | CAO | H14 | 1.5° | 0.0° |
| CL | CAT | CAS | H15 | 1.5° | 0.0° |
| CAT | CAO | CAP | H14 | 180.0° | 180.0° |
| CAT | CAO | CAP | H13 | 176.1° | 180.0° |
| CAO | CAT | CAS | H15 | 178.8° | 179.9° |
| H1 | CAU | H2 | H3 | 120.0° | 120.0° |
| H4 | CAV | H5 | H6 | 119.9° | 120.0° |
| H8 | CAE | CAF | H9 | 2.8° | 0.0° |
| H13 | CAP | CAO | H14 | 3.8° | 0.0° |
| H15 | CAS | CAR | H16 | 2.0° | 0.2° |
