4ZL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAO | CAI | doub | 1.22Å | 1.29Å | |
| CAG | NAH | sing | 1.46Å | 1.54Å | |
| CAG | CAF | sing | 1.51Å | 1.60Å | |
| CAI | NAH | sing | 1.35Å | 1.37Å | |
| CAI | NAJ | sing | 1.35Å | 1.40Å | |
| CAE | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.42Å | Aromatic |
| CAF | CAA | sing | 1.38Å | 1.44Å | Aromatic |
| CAK | NAJ | sing | 1.47Å | 1.43Å | |
| CAK | CAL | sing | 1.51Å | 1.53Å | |
| CAD | CAC | doub | 1.38Å | 1.43Å | Aromatic |
| OAM | CAL | sing | 1.34Å | 1.35Å | |
| OAM | CAN | sing | 1.45Å | 1.45Å | |
| CAL | OAQ | doub | 1.21Å | 1.26Å | |
| CAA | CAB | doub | 1.38Å | 1.44Å | Aromatic |
| CAP | CAN | sing | 1.53Å | 1.49Å | |
| CAC | CAB | sing | 1.38Å | 1.43Å | Aromatic |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| NAH | H8 | sing | 0.97Å | 1.00Å | |
| NAJ | H9 | sing | 0.97Å | 1.00Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAP | H14 | sing | 1.09Å | 1.10Å | |
| CAP | H15 | sing | 1.09Å | 1.10Å | |
| CAP | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAO | CAI | NAH | 126.9° | 120.0° |
| OAO | CAI | NAJ | 126.2° | 120.0° |
| NAH | CAG | CAF | 94.0° | 109.5° |
| CAG | NAH | CAI | 111.7° | 120.0° |
| NAH | CAG | H6 | 113.2° | 109.4° |
| NAH | CAG | H7 | 113.2° | 109.5° |
| CAG | NAH | H8 | 124.1° | 120.0° |
| CAG | CAF | CAE | 116.8° | 120.0° |
| CAG | CAF | CAA | 126.2° | 120.0° |
| CAF | CAG | H6 | 113.2° | 109.5° |
| CAF | CAG | H7 | 113.2° | 109.5° |
| NAH | CAI | NAJ | 106.1° | 120.0° |
| CAI | NAH | H8 | 124.1° | 120.0° |
| CAI | NAJ | CAK | 118.8° | 120.0° |
| CAI | NAJ | H9 | 120.6° | 120.0° |
| CAF | CAE | CAD | 124.8° | 120.0° |
| CAE | CAF | CAA | 116.7° | 120.0° |
| CAF | CAE | H5 | 117.6° | 119.9° |
| CAE | CAD | CAC | 119.6° | 120.0° |
| CAE | CAD | H4 | 120.2° | 120.0° |
| CAD | CAE | H5 | 117.6° | 120.0° |
| CAF | CAA | CAB | 119.6° | 120.0° |
| CAF | CAA | H1 | 120.2° | 120.0° |
| NAJ | CAK | CAL | 103.9° | 109.4° |
| CAK | NAJ | H9 | 120.6° | 120.0° |
| NAJ | CAK | H10 | 110.8° | 109.5° |
| NAJ | CAK | H11 | 110.9° | 109.4° |
| CAK | CAL | OAM | 105.6° | 120.0° |
| CAK | CAL | OAQ | 128.9° | 120.0° |
| CAL | CAK | H10 | 110.9° | 109.5° |
| CAL | CAK | H11 | 110.9° | 109.5° |
| CAD | CAC | CAB | 116.3° | 120.0° |
| CAD | CAC | H3 | 121.8° | 120.0° |
| CAC | CAD | H4 | 120.2° | 120.0° |
| CAL | OAM | CAN | 120.4° | 117.0° |
| OAM | CAL | OAQ | 122.4° | 120.0° |
| OAM | CAN | CAP | 114.6° | 109.5° |
| OAM | CAN | H12 | 108.2° | 109.5° |
| OAM | CAN | H13 | 108.2° | 109.5° |
| CAA | CAB | CAC | 122.4° | 120.0° |
| CAB | CAA | H1 | 120.2° | 120.0° |
| CAA | CAB | H2 | 118.8° | 120.0° |
| CAP | CAN | H12 | 108.2° | 109.5° |
| CAP | CAN | H13 | 108.2° | 109.4° |
| CAN | CAP | H14 | 109.5° | 109.5° |
| CAN | CAP | H15 | 109.5° | 109.4° |
| CAN | CAP | H16 | 109.5° | 109.5° |
| CAC | CAB | H2 | 118.8° | 120.0° |
| CAB | CAC | H3 | 121.9° | 120.0° |
| H6 | CAG | H7 | 109.4° | 109.5° |
| H10 | CAK | H11 | 109.5° | 109.5° |
| H12 | CAN | H13 | 109.5° | 109.5° |
| H14 | CAP | H15 | 109.4° | 109.5° |
| H14 | CAP | H16 | 109.4° | 109.5° |
| H15 | CAP | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAO | CAI | NAH | CAG | 2.4° | 0.1° |
| OAO | CAI | NAH | NAJ | 170.3° | 180.0° |
| OAO | CAI | NAJ | CAK | 25.3° | 0.0° |
| OAO | CAI | NAH | H8 | 177.6° | 180.0° |
| OAO | CAI | NAJ | H9 | 154.7° | 180.0° |
| NAH | CAG | CAF | H6 | 117.4° | 119.9° |
| NAH | CAG | CAF | H7 | 117.4° | 120.1° |
| CAG | NAH | CAI | H8 | 180.0° | 180.0° |
| CAG | NAH | CAI | NAJ | 167.9° | 180.0° |
| NAH | CAG | CAF | CAE | 128.4° | 90.0° |
| NAH | CAG | CAF | CAA | 58.5° | 90.6° |
| NAH | CAG | H6 | H7 | 127.3° | 120.0° |
| CAF | CAG | NAH | CAI | 154.8° | 180.0° |
| CAG | CAF | CAE | CAA | 173.8° | 179.4° |
| CAG | CAF | CAE | CAD | 178.0° | 180.0° |
| CAG | CAF | CAA | CAB | 174.2° | 180.0° |
| CAG | CAF | CAA | H1 | 5.9° | 0.3° |
| CAG | CAF | CAE | H5 | 2.0° | 0.6° |
| CAF | CAG | H6 | H7 | 127.3° | 120.0° |
| CAF | CAG | NAH | H8 | 25.2° | 0.0° |
| NAH | CAI | NAJ | CAK | 164.3° | 179.9° |
| CAI | NAH | CAG | H6 | 87.8° | 60.0° |
| CAI | NAH | CAG | H7 | 37.4° | 59.9° |
| NAH | CAI | NAJ | H9 | 15.6° | 0.0° |
| CAI | NAJ | CAK | H9 | 180.0° | 179.9° |
| CAI | NAJ | CAK | CAL | 79.7° | 180.0° |
| NAJ | CAI | NAH | H8 | 12.1° | 0.0° |
| CAI | NAJ | CAK | H10 | 39.4° | 60.0° |
| CAI | NAJ | CAK | H11 | 161.2° | 60.1° |
| CAF | CAE | CAD | H5 | 180.0° | 179.4° |
| CAF | CAE | CAD | CAC | 0.4° | 0.3° |
| CAE | CAF | CAA | CAB | 1.1° | 0.6° |
| CAE | CAF | CAA | H1 | 179.0° | 179.7° |
| CAF | CAE | CAD | H4 | 179.5° | 179.7° |
| CAE | CAF | CAG | H6 | 11.1° | 150.0° |
| CAE | CAF | CAG | H7 | 114.2° | 30.0° |
| CAD | CAE | CAF | CAA | 4.2° | 0.6° |
| CAE | CAD | CAC | H4 | 180.0° | 179.9° |
| CAE | CAD | CAC | CAB | 6.3° | 0.0° |
| CAE | CAD | CAC | H3 | 173.7° | 180.0° |
| CAF | CAA | CAB | H1 | 180.0° | 179.8° |
| CAF | CAA | CAB | CAC | 5.9° | 0.3° |
| CAF | CAA | CAB | H2 | 174.1° | 179.7° |
| CAA | CAF | CAE | H5 | 175.8° | 180.0° |
| CAA | CAF | CAG | H6 | 175.8° | 29.4° |
| CAA | CAF | CAG | H7 | 58.9° | 149.4° |
| NAJ | CAK | CAL | H10 | 119.1° | 120.0° |
| NAJ | CAK | CAL | H11 | 119.1° | 119.9° |
| NAJ | CAK | CAL | OAM | 172.6° | 180.0° |
| NAJ | CAK | CAL | OAQ | 27.3° | 0.0° |
| NAJ | CAK | H10 | H11 | 122.6° | 120.0° |
| CAK | CAL | OAM | OAQ | 161.7° | 180.0° |
| CAK | CAL | OAM | CAN | 172.6° | 180.0° |
| CAL | CAK | NAJ | H9 | 100.3° | 0.0° |
| CAL | CAK | H10 | H11 | 122.6° | 120.0° |
| CAD | CAC | CAB | CAA | 9.5° | NaN° |
| CAD | CAC | CAB | H3 | 180.0° | 180.0° |
| CAD | CAC | CAB | H2 | 170.5° | 179.9° |
| CAC | CAD | CAE | H5 | 179.6° | 179.8° |
| CAL | OAM | CAN | CAP | 173.2° | 180.0° |
| OAM | CAL | CAK | H10 | 53.6° | 60.0° |
| OAM | CAL | CAK | H11 | 68.2° | 60.0° |
| CAL | OAM | CAN | H12 | 66.0° | 60.0° |
| CAL | OAM | CAN | H13 | 52.5° | 60.0° |
| CAN | OAM | CAL | OAQ | 10.9° | 0.0° |
| OAM | CAN | CAP | H12 | 120.7° | 120.0° |
| OAM | CAN | CAP | H13 | 120.7° | 120.0° |
| OAM | CAN | H12 | H13 | 117.7° | 120.0° |
| OAM | CAN | CAP | H14 | 180.0° | 60.0° |
| OAM | CAN | CAP | H15 | 60.0° | 60.0° |
| OAM | CAN | CAP | H16 | 60.0° | 180.0° |
| OAQ | CAL | CAK | H10 | 146.4° | 120.0° |
| OAQ | CAL | CAK | H11 | 91.8° | 120.0° |
| CAA | CAB | CAC | H2 | 180.0° | 179.9° |
| CAA | CAB | CAC | H3 | 170.5° | 180.0° |
| CAP | CAN | H12 | H13 | 117.7° | 119.9° |
| CAN | CAP | H14 | H15 | 120.0° | 119.9° |
| CAN | CAP | H14 | H16 | 120.0° | 120.0° |
| CAN | CAP | H15 | H16 | 120.0° | 120.0° |
| CAC | CAB | CAA | H1 | 174.0° | 180.0° |
| CAB | CAC | CAD | H4 | 173.7° | 180.0° |
| H1 | CAA | CAB | H2 | 6.0° | 0.1° |
| H2 | CAB | CAC | H3 | 9.5° | 0.0° |
| H3 | CAC | CAD | H4 | 6.2° | 0.1° |
| H4 | CAD | CAE | H5 | 0.5° | 0.3° |
| H6 | CAG | NAH | H8 | 92.2° | 120.0° |
| H7 | CAG | NAH | H8 | 142.6° | 120.0° |
| H9 | NAJ | CAK | H10 | 140.6° | 120.0° |
| H9 | NAJ | CAK | H11 | 18.8° | 120.0° |
| H12 | CAN | CAP | H14 | 59.3° | NaN° |
| H12 | CAN | CAP | H15 | 179.3° | 60.0° |
| H12 | CAN | CAP | H16 | 60.7° | 59.9° |
| H13 | CAN | CAP | H14 | 59.3° | 60.0° |
| H13 | CAN | CAP | H15 | 60.7° | 180.0° |
| H13 | CAN | CAP | H16 | 179.2° | 60.0° |
| H14 | CAP | H15 | H16 | 120.0° | 120.0° |
