5ZK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| N10 | C11 | doub | 1.31Å | 1.32Å | Aromatic |
| N10 | C09 | sing | 1.34Å | 1.35Å | Aromatic |
| C11 | N12 | sing | 1.32Å | 1.32Å | Aromatic |
| C07 | C09 | sing | 1.41Å | 1.44Å | Aromatic |
| C07 | N06 | doub | 1.30Å | 1.32Å | Aromatic |
| C09 | C04 | doub | 1.41Å | 1.38Å | Aromatic |
| N06 | N05 | sing | 1.40Å | 1.34Å | Aromatic |
| N12 | C03 | doub | 1.33Å | 1.32Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.42Å | Aromatic |
| C04 | N05 | sing | 1.37Å | 1.36Å | Aromatic |
| C03 | N02 | sing | 1.38Å | 1.44Å | |
| N02 | C01 | sing | 1.46Å | 1.45Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| N02 | H8 | sing | 0.97Å | 1.00Å | |
| N05 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C07 | C09 | 126.3° | 125.7° |
| C08 | C07 | N06 | 126.4° | 125.6° |
| C07 | C08 | H4 | 109.5° | 109.5° |
| C07 | C08 | H5 | 109.5° | 109.5° |
| C07 | C08 | H6 | 109.5° | 109.4° |
| C11 | N10 | C09 | 120.7° | 120.5° |
| N10 | C11 | N12 | 122.2° | 122.5° |
| N10 | C11 | H7 | 118.9° | 118.7° |
| N10 | C09 | C07 | 135.7° | 134.3° |
| N10 | C09 | C04 | 118.8° | 118.8° |
| C11 | N12 | C03 | 121.1° | 121.3° |
| N12 | C11 | H7 | 118.9° | 118.8° |
| C09 | C07 | N06 | 107.3° | 108.7° |
| C07 | C09 | C04 | 105.5° | 106.9° |
| C07 | N06 | N05 | 109.9° | 109.6° |
| C09 | C04 | C03 | 118.7° | 118.4° |
| C09 | C04 | N05 | 108.0° | 106.8° |
| N06 | N05 | C04 | 109.2° | 108.0° |
| N06 | N05 | H9 | 125.4° | 125.9° |
| N12 | C03 | C04 | 118.5° | 118.5° |
| N12 | C03 | N02 | 121.3° | 120.7° |
| C03 | C04 | N05 | 133.3° | 134.8° |
| C04 | C03 | N02 | 120.2° | 120.8° |
| C04 | N05 | H9 | 125.4° | 126.1° |
| C03 | N02 | C01 | 121.2° | 120.0° |
| C03 | N02 | H8 | 106.5° | 120.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| C01 | N02 | H8 | 106.5° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C08 | H5 | 109.5° | 109.5° |
| H4 | C08 | H6 | 109.5° | 109.5° |
| H5 | C08 | H6 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C07 | C09 | N10 | 0.3° | 0.0° |
| C08 | C07 | C09 | N06 | 179.7° | 180.0° |
| C08 | C07 | C09 | C04 | 179.9° | 180.0° |
| C08 | C07 | N06 | N05 | 179.9° | 180.0° |
| C07 | C08 | H4 | H5 | 120.0° | 120.0° |
| C07 | C08 | H4 | H6 | 120.0° | 119.9° |
| C07 | C08 | H5 | H6 | 120.0° | 119.9° |
| N10 | C11 | N12 | H7 | 180.0° | 180.0° |
| C11 | N10 | C09 | C07 | 180.0° | 180.0° |
| C11 | N10 | C09 | C04 | 0.2° | 0.0° |
| N10 | C11 | N12 | C03 | 0.1° | 0.0° |
| C09 | N10 | C11 | N12 | 0.0° | 0.0° |
| N10 | C09 | C07 | C04 | 179.8° | 180.0° |
| N10 | C09 | C07 | N06 | 179.9° | 180.0° |
| N10 | C09 | C04 | C03 | 0.4° | 0.0° |
| N10 | C09 | C04 | N05 | 179.9° | 180.0° |
| C09 | N10 | C11 | H7 | 179.9° | 180.0° |
| C11 | N12 | C03 | C04 | 0.2° | 0.0° |
| C11 | N12 | C03 | N02 | 179.7° | 180.0° |
| C09 | C07 | N06 | N05 | 0.2° | 0.0° |
| C07 | C09 | C04 | C03 | 179.7° | 180.0° |
| C07 | C09 | C04 | N05 | 0.2° | 0.0° |
| C09 | C07 | C08 | H4 | 179.6° | 89.9° |
| C09 | C07 | C08 | H5 | 60.4° | 150.0° |
| C09 | C07 | C08 | H6 | 59.6° | 30.0° |
| N06 | C07 | C09 | C04 | 0.3° | 0.0° |
| C07 | N06 | N05 | C04 | 0.1° | 0.0° |
| N06 | C07 | C08 | H4 | 0.0° | 90.0° |
| N06 | C07 | C08 | H5 | 120.0° | 30.1° |
| N06 | C07 | C08 | H6 | 120.0° | 150.0° |
| C07 | N06 | N05 | H9 | 179.9° | 180.0° |
| C09 | C04 | N05 | N06 | 0.1° | 0.0° |
| C09 | C04 | C03 | N12 | 0.4° | 0.0° |
| C09 | C04 | C03 | N05 | 179.4° | 180.0° |
| C09 | C04 | C03 | N02 | 180.0° | 180.0° |
| C09 | C04 | N05 | H9 | 179.9° | 180.0° |
| N06 | N05 | C04 | C03 | 179.5° | 180.0° |
| N06 | N05 | C04 | H9 | 180.0° | 180.0° |
| N12 | C03 | C04 | N02 | 179.6° | 180.0° |
| N12 | C03 | C04 | N05 | 179.8° | 180.0° |
| N12 | C03 | N02 | C01 | 0.4° | 0.0° |
| C03 | N12 | C11 | H7 | 179.9° | 180.0° |
| N12 | C03 | N02 | H8 | 122.0° | 180.0° |
| C04 | C03 | N02 | C01 | 179.2° | 180.0° |
| C04 | C03 | N02 | H8 | 57.6° | 0.0° |
| C03 | C04 | N05 | H9 | 0.5° | 0.0° |
| N05 | C04 | C03 | N02 | 0.6° | 0.0° |
| C03 | N02 | C01 | H8 | 121.6° | 180.0° |
| C03 | N02 | C01 | H1 | 180.0° | 180.0° |
| C03 | N02 | C01 | H2 | 60.0° | 60.0° |
| C03 | N02 | C01 | H3 | 60.0° | 60.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | N02 | H8 | 58.4° | 0.0° |
| H2 | C01 | N02 | H8 | 178.4° | 119.9° |
| H3 | C01 | N02 | H8 | 61.6° | 120.0° |
| H4 | C08 | H5 | H6 | 120.0° | 120.0° |
