1CK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1J | HN1J | sing | 0.97Å | 1.00Å | |
| N1K | N1I | sing | 1.40Å | 1.33Å | Aromatic |
| CAA | CAM | sing | 1.51Å | 1.54Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAB | CAL | doub | 1.22Å | 1.23Å | |
| CAD | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAO | sing | 1.40Å | 1.42Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAP | sing | 1.40Å | 1.36Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAL | N1J | sing | 1.35Å | 1.36Å | |
| CAL | CAO | sing | 1.48Å | 1.43Å | |
| CAM | N1K | sing | 1.35Å | 1.32Å | Aromatic |
| CAM | CAH | doub | 1.35Å | 1.36Å | Aromatic |
| CAN | BRAC | sing | 1.89Å | 1.88Å | |
| CAN | CAE | doub | 1.38Å | 1.41Å | Aromatic |
| CAO | CAG | doub | 1.40Å | 1.40Å | Aromatic |
| CAP | N1I | doub | 1.31Å | 1.33Å | Aromatic |
| CAP | N1J | sing | 1.40Å | 1.37Å | |
| N1K | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| HN1J | N1J | CAL | 117.2° | 120.0° |
| HN1J | N1J | CAP | 117.2° | 120.0° |
| N1I | N1K | CAM | 111.3° | 108.1° |
| N1K | N1I | CAP | 106.8° | 108.2° |
| N1I | N1K | H10 | 124.4° | 125.9° |
| CAM | CAA | HAA | 109.5° | 109.5° |
| CAM | CAA | HAAA | 109.4° | 109.5° |
| CAM | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAM | N1K | 123.8° | 126.0° |
| CAA | CAM | CAH | 129.9° | 126.1° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAL | N1J | 121.7° | 120.0° |
| OAB | CAL | CAO | 119.0° | 120.0° |
| CAN | CAD | HAD | 120.3° | 119.9° |
| CAN | CAD | CAF | 119.4° | 120.1° |
| CAD | CAN | BRAC | 117.9° | 119.9° |
| CAD | CAN | CAE | 119.9° | 120.2° |
| HAD | CAD | CAF | 120.3° | 120.0° |
| HAE | CAE | CAG | 120.2° | 119.9° |
| HAE | CAE | CAN | 120.2° | 119.9° |
| CAD | CAF | CAO | 121.8° | 119.9° |
| CAD | CAF | HAF | 119.1° | 120.0° |
| CAO | CAF | HAF | 119.1° | 120.1° |
| CAF | CAO | CAL | 121.6° | 120.1° |
| CAF | CAO | CAG | 117.3° | 119.7° |
| CAE | CAG | HAG | 119.0° | 120.1° |
| CAG | CAE | CAN | 119.6° | 120.2° |
| CAE | CAG | CAO | 122.0° | 119.8° |
| HAG | CAG | CAO | 119.0° | 120.1° |
| CAP | CAH | HAH | 126.5° | 126.1° |
| CAP | CAH | CAM | 107.1° | 107.9° |
| CAH | CAP | N1I | 108.5° | 108.0° |
| CAH | CAP | N1J | 132.5° | 126.0° |
| HAH | CAH | CAM | 126.4° | 126.0° |
| N1J | CAL | CAO | 119.3° | 120.0° |
| CAL | N1J | CAP | 125.6° | 120.0° |
| CAL | CAO | CAG | 121.1° | 120.1° |
| N1K | CAM | CAH | 106.2° | 107.9° |
| CAM | N1K | H10 | 124.3° | 126.0° |
| BRAC | CAN | CAE | 122.2° | 119.9° |
| N1I | CAP | N1J | 119.0° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| HN1J | N1J | CAL | OAB | 178.0° | 180.0° |
| HN1J | N1J | CAP | CAH | 166.9° | 180.0° |
| HN1J | N1J | CAL | CAP | 180.0° | 180.0° |
| HN1J | N1J | CAL | CAO | 1.5° | 0.0° |
| HN1J | N1J | CAP | N1I | 14.0° | 0.0° |
| N1I | N1K | CAM | CAA | 178.7° | 180.0° |
| N1K | N1I | CAP | CAH | 0.7° | 0.0° |
| N1I | N1K | CAM | H10 | 180.0° | 180.0° |
| N1I | N1K | CAM | CAH | 2.1° | 0.0° |
| N1K | N1I | CAP | N1J | 178.7° | 180.0° |
| CAM | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAM | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAM | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAM | CAH | CAP | 179.2° | 180.0° |
| CAA | CAM | CAH | HAH | 0.8° | 0.1° |
| CAA | CAM | N1K | CAH | 179.3° | 179.9° |
| CAA | CAM | N1K | H10 | 1.3° | 0.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAM | N1K | 90.4° | 90.0° |
| HAA | CAA | CAM | CAH | 90.5° | 89.9° |
| HAAA | CAA | CAM | N1K | 149.6° | 150.1° |
| HAAA | CAA | CAM | CAH | 29.5° | 30.0° |
| HAAB | CAA | CAM | N1K | 29.6° | 30.1° |
| HAAB | CAA | CAM | CAH | 149.5° | 150.0° |
| OAB | CAL | CAO | CAF | 33.4° | 0.0° |
| OAB | CAL | N1J | CAO | 179.5° | 180.0° |
| OAB | CAL | CAO | CAG | 144.4° | 180.0° |
| OAB | CAL | N1J | CAP | 2.1° | 0.0° |
| CAN | CAD | HAD | CAF | 180.0° | 179.8° |
| CAD | CAN | CAE | HAE | 179.0° | 180.0° |
| CAN | CAD | CAF | CAO | 1.4° | 0.0° |
| CAN | CAD | CAF | HAF | 178.7° | 180.0° |
| CAD | CAN | CAE | CAG | 1.0° | 0.5° |
| CAD | CAN | BRAC | CAE | 178.9° | 179.9° |
| HAD | CAD | CAF | CAO | 178.7° | 179.8° |
| HAD | CAD | CAF | HAF | 1.3° | 0.3° |
| HAD | CAD | CAN | BRAC | 0.1° | 0.0° |
| HAD | CAD | CAN | CAE | 179.0° | 180.0° |
| HAE | CAE | CAG | CAN | 180.0° | 179.5° |
| HAE | CAE | CAG | HAG | 1.5° | 0.0° |
| HAE | CAE | CAN | BRAC | 0.1° | 0.1° |
| HAE | CAE | CAG | CAO | 178.5° | 179.9° |
| CAD | CAF | CAO | HAF | 180.0° | 180.0° |
| CAD | CAF | CAO | CAL | 179.6° | 180.0° |
| CAF | CAD | CAN | BRAC | 179.9° | 179.7° |
| CAF | CAD | CAN | CAE | 1.0° | 0.2° |
| CAD | CAF | CAO | CAG | 1.7° | 0.0° |
| CAF | CAO | CAG | CAE | 1.8° | 0.3° |
| CAF | CAO | CAG | HAG | 178.2° | 179.7° |
| CAF | CAO | CAL | N1J | 147.1° | 180.0° |
| CAF | CAO | CAL | CAG | 177.8° | 180.0° |
| HAF | CAF | CAO | CAL | 0.4° | 0.0° |
| HAF | CAF | CAO | CAG | 178.3° | 180.0° |
| CAE | CAG | HAG | CAO | 180.0° | 180.0° |
| CAE | CAG | CAO | CAL | 179.6° | 179.7° |
| CAG | CAE | CAN | BRAC | 179.9° | 179.4° |
| HAG | CAG | CAO | CAL | 0.4° | 0.3° |
| HAG | CAG | CAE | CAN | 178.5° | 179.5° |
| CAP | CAH | HAH | CAM | 180.0° | 179.9° |
| CAH | CAP | N1J | CAL | 13.1° | 0.1° |
| CAP | CAH | CAM | N1K | 1.6° | 0.1° |
| CAH | CAP | N1I | N1J | 179.3° | 180.0° |
| HAH | CAH | CAM | N1K | 178.4° | 180.0° |
| HAH | CAH | CAP | N1I | 179.4° | 180.0° |
| HAH | CAH | CAP | N1J | 0.2° | 0.1° |
| N1J | CAL | CAO | CAG | 35.2° | 0.0° |
| CAL | N1J | CAP | N1I | 166.0° | 180.0° |
| CAO | CAL | N1J | CAP | 178.4° | 180.0° |
| CAM | N1K | N1I | CAP | 1.7° | 0.0° |
| CAM | CAH | CAP | N1I | 0.6° | 0.0° |
| CAM | CAH | CAP | N1J | 179.7° | 180.0° |
| CAH | CAM | N1K | H10 | 177.9° | 180.0° |
| CAN | CAE | CAG | CAO | 1.5° | 0.6° |
| CAP | N1I | N1K | H10 | 178.3° | 180.0° |
