DXK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | NAN | doub | 1.30Å | 1.35Å | Aromatic |
| CAO | C5 | sing | 1.41Å | 1.35Å | Aromatic |
| NAN | NAM | sing | 1.40Å | 1.30Å | Aromatic |
| NAP | C6 | sing | 1.38Å | 1.34Å | |
| C5 | C6 | doub | 1.41Å | 1.35Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.34Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| NAM | C4 | sing | 1.36Å | 1.34Å | Aromatic |
| NAM | CAQ | sing | 1.46Å | 1.48Å | |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | CAA | sing | 1.48Å | 1.40Å | |
| CAA | CAC | doub | 1.40Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | NAD | doub | 1.32Å | 1.41Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| NAD | CAF | sing | 1.32Å | 1.40Å | Aromatic |
| CAC | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAB | H4 | sing | 1.08Å | 1.08Å | |
| CAQ | H5 | sing | 1.09Å | 1.10Å | |
| CAQ | H6 | sing | 1.09Å | 1.10Å | |
| CAQ | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.08Å | 1.08Å | |
| NAP | H9 | sing | 0.97Å | 1.00Å | |
| NAP | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAN | CAO | C5 | 108.5° | 108.5° |
| CAO | NAN | NAM | 107.5° | 109.7° |
| NAN | CAO | H8 | 125.7° | 125.8° |
| CAO | C5 | C6 | 134.4° | 134.6° |
| CAO | C5 | C4 | 106.5° | 107.0° |
| C5 | CAO | H8 | 125.7° | 125.7° |
| NAN | NAM | C4 | 109.3° | 108.2° |
| NAN | NAM | CAQ | 127.5° | 125.9° |
| NAP | C6 | C5 | 119.2° | 120.8° |
| NAP | C6 | N1 | 119.6° | 120.7° |
| C6 | NAP | H9 | 109.5° | 120.0° |
| C6 | NAP | H10 | 109.5° | 120.0° |
| C6 | C5 | C4 | 119.1° | 118.4° |
| C5 | C6 | N1 | 121.3° | 118.5° |
| C5 | C4 | NAM | 108.1° | 106.5° |
| C5 | C4 | N3 | 120.4° | 118.9° |
| C6 | N1 | C2 | 119.0° | 121.1° |
| C4 | NAM | CAQ | 123.2° | 125.8° |
| NAM | C4 | N3 | 131.5° | 134.5° |
| NAM | CAQ | H5 | 109.5° | 109.5° |
| NAM | CAQ | H6 | 109.5° | 109.4° |
| NAM | CAQ | H7 | 109.5° | 109.5° |
| C4 | N3 | C2 | 120.0° | 120.6° |
| N1 | C2 | N3 | 120.2° | 122.4° |
| N1 | C2 | CAA | 118.2° | 118.8° |
| N3 | C2 | CAA | 121.6° | 118.8° |
| C2 | CAA | CAC | 119.3° | 120.5° |
| C2 | CAA | CAB | 120.8° | 120.6° |
| CAC | CAA | CAB | 119.9° | 118.9° |
| CAA | CAC | CAE | 121.0° | 118.3° |
| CAA | CAC | H1 | 119.5° | 120.9° |
| CAA | CAB | NAD | 119.3° | 120.6° |
| CAA | CAB | H4 | 120.3° | 119.7° |
| CAC | CAE | CAF | 119.6° | 119.3° |
| CAE | CAC | H1 | 119.5° | 120.8° |
| CAC | CAE | H2 | 120.2° | 120.3° |
| CAB | NAD | CAF | 120.1° | 121.8° |
| NAD | CAB | H4 | 120.4° | 119.7° |
| CAE | CAF | NAD | 120.0° | 121.1° |
| CAF | CAE | H2 | 120.2° | 120.4° |
| CAE | CAF | H3 | 120.0° | 119.5° |
| NAD | CAF | H3 | 120.0° | 119.4° |
| H5 | CAQ | H6 | 109.4° | 109.4° |
| H5 | CAQ | H7 | 109.5° | 109.5° |
| H6 | CAQ | H7 | 109.5° | 109.5° |
| H9 | NAP | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAN | CAO | C5 | H8 | 180.0° | 179.9° |
| NAN | CAO | C5 | C6 | 179.4° | 179.7° |
| NAN | CAO | C5 | C4 | 1.8° | 0.1° |
| CAO | NAN | NAM | C4 | 1.2° | 0.0° |
| CAO | NAN | NAM | CAQ | 178.4° | 179.9° |
| C5 | CAO | NAN | NAM | 1.9° | 0.0° |
| CAO | C5 | C6 | NAP | 0.5° | 0.0° |
| CAO | C5 | C6 | C4 | 178.8° | 179.7° |
| CAO | C5 | C6 | N1 | 179.1° | 179.9° |
| CAO | C5 | C4 | NAM | 1.0° | 0.1° |
| CAO | C5 | C4 | N3 | 179.7° | 180.0° |
| NAN | NAM | C4 | C5 | 0.1° | 0.0° |
| NAN | NAM | C4 | CAQ | 179.7° | 179.9° |
| NAN | NAM | C4 | N3 | 179.0° | 179.9° |
| NAN | NAM | CAQ | H5 | 0.0° | 89.9° |
| NAN | NAM | CAQ | H6 | 120.0° | 30.0° |
| NAN | NAM | CAQ | H7 | 120.0° | 150.0° |
| NAM | NAN | CAO | H8 | 178.2° | 180.0° |
| NAP | C6 | C5 | N1 | 179.6° | 179.9° |
| NAP | C6 | C5 | C4 | 179.3° | 179.7° |
| NAP | C6 | N1 | C2 | 179.5° | 179.9° |
| C6 | NAP | H9 | H10 | 120.0° | 180.0° |
| C6 | C5 | C4 | NAM | 179.9° | 179.7° |
| C6 | C5 | C4 | N3 | 0.6° | 0.2° |
| C5 | C6 | N1 | C2 | 0.1° | 0.0° |
| C6 | C5 | CAO | H8 | 0.6° | 0.2° |
| C5 | C6 | NAP | H9 | 179.6° | 0.0° |
| C5 | C6 | NAP | H10 | 59.6° | 180.0° |
| C4 | C5 | C6 | N1 | 0.3° | 0.2° |
| C5 | C4 | NAM | N3 | 179.1° | 179.9° |
| C5 | C4 | NAM | CAQ | 179.6° | 180.0° |
| C5 | C4 | N3 | C2 | 0.7° | 0.1° |
| C4 | C5 | CAO | H8 | 178.2° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.2° |
| C6 | N1 | C2 | CAA | 179.4° | 180.0° |
| N1 | C6 | NAP | H9 | 0.0° | 179.9° |
| N1 | C6 | NAP | H10 | 120.0° | 0.1° |
| NAM | C4 | N3 | C2 | 179.8° | 179.9° |
| C4 | NAM | CAQ | H5 | 179.6° | 90.0° |
| C4 | NAM | CAQ | H6 | 59.6° | 150.1° |
| C4 | NAM | CAQ | H7 | 60.4° | 30.1° |
| CAQ | NAM | C4 | N3 | 1.3° | 0.2° |
| NAM | CAQ | H5 | H6 | 120.0° | 120.0° |
| NAM | CAQ | H5 | H7 | 120.0° | 120.0° |
| NAM | CAQ | H6 | H7 | 120.0° | 120.0° |
| C4 | N3 | C2 | N1 | 0.5° | 0.3° |
| C4 | N3 | C2 | CAA | 179.6° | 180.0° |
| N1 | C2 | N3 | CAA | 179.2° | 179.7° |
| N1 | C2 | CAA | CAC | 9.2° | 0.0° |
| N1 | C2 | CAA | CAB | 169.0° | 179.5° |
| N3 | C2 | CAA | CAC | 171.6° | 179.8° |
| N3 | C2 | CAA | CAB | 10.1° | 0.3° |
| C2 | CAA | CAC | CAB | 178.3° | 179.5° |
| C2 | CAA | CAC | CAE | 179.7° | 180.0° |
| C2 | CAA | CAB | NAD | 180.0° | 179.9° |
| C2 | CAA | CAC | H1 | 0.3° | 0.2° |
| C2 | CAA | CAB | H4 | 0.0° | 0.3° |
| CAA | CAC | CAE | H1 | 180.0° | 179.8° |
| CAC | CAA | CAB | NAD | 1.7° | 0.6° |
| CAA | CAC | CAE | CAF | 0.6° | 0.2° |
| CAA | CAC | CAE | H2 | 179.4° | 179.8° |
| CAC | CAA | CAB | H4 | 178.3° | 179.7° |
| CAB | CAA | CAC | CAE | 1.4° | 0.5° |
| CAA | CAB | NAD | H4 | 180.0° | 179.7° |
| CAA | CAB | NAD | CAF | 1.3° | 0.3° |
| CAB | CAA | CAC | H1 | 178.6° | 179.7° |
| CAC | CAE | CAF | H2 | 180.0° | 180.0° |
| CAC | CAE | CAF | NAD | 0.1° | 0.0° |
| CAC | CAE | CAF | H3 | 179.8° | 180.0° |
| CAB | NAD | CAF | CAE | 0.5° | 0.0° |
| CAB | NAD | CAF | H3 | 179.4° | 180.0° |
| CAE | CAF | NAD | H3 | 180.0° | 180.0° |
| CAF | CAE | CAC | H1 | 179.4° | 180.0° |
| NAD | CAF | CAE | H2 | 179.9° | 180.0° |
| CAF | NAD | CAB | H4 | 178.7° | 180.0° |
| H1 | CAC | CAE | H2 | 0.6° | 0.0° |
| H2 | CAE | CAF | H3 | 0.2° | 0.0° |
| H5 | CAQ | H6 | H7 | 120.0° | 120.0° |
