OYK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | N08 | sing | 1.46Å | 1.46Å | |
| N08 | C07 | sing | 1.38Å | 1.44Å | |
| N04 | C06 | sing | 1.35Å | 1.34Å | Aromatic |
| N04 | C03 | doub | 1.30Å | 1.33Å | Aromatic |
| C07 | C06 | doub | 1.41Å | 1.42Å | Aromatic |
| C07 | N10 | sing | 1.33Å | 1.33Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.37Å | Aromatic |
| C03 | N02 | sing | 1.36Å | 1.33Å | Aromatic |
| N10 | C11 | doub | 1.32Å | 1.33Å | Aromatic |
| N02 | C05 | sing | 1.37Å | 1.34Å | Aromatic |
| N02 | C01 | sing | 1.46Å | 1.46Å | |
| C05 | N12 | doub | 1.33Å | 1.36Å | Aromatic |
| C11 | N12 | sing | 1.32Å | 1.33Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| N08 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | N08 | C07 | 119.4° | 120.0° |
| N08 | C09 | H5 | 109.5° | 109.4° |
| N08 | C09 | H6 | 109.4° | 109.5° |
| N08 | C09 | H7 | 109.5° | 109.5° |
| C09 | N08 | H9 | 106.9° | 120.0° |
| N08 | C07 | C06 | 119.4° | 120.8° |
| N08 | C07 | N10 | 121.0° | 120.8° |
| C07 | N08 | H9 | 107.0° | 120.0° |
| C06 | N04 | C03 | 107.6° | 109.5° |
| N04 | C06 | C07 | 134.3° | 134.7° |
| N04 | C06 | C05 | 107.9° | 107.1° |
| N04 | C03 | N02 | 109.2° | 109.9° |
| N04 | C03 | H4 | 125.4° | 125.0° |
| C06 | C07 | N10 | 119.6° | 118.4° |
| C07 | C06 | C05 | 117.8° | 118.2° |
| C07 | N10 | C11 | 121.0° | 121.2° |
| C06 | C05 | N02 | 106.7° | 106.0° |
| C06 | C05 | N12 | 119.5° | 119.1° |
| C03 | N02 | C05 | 108.6° | 107.4° |
| C03 | N02 | C01 | 126.2° | 126.3° |
| N02 | C03 | H4 | 125.4° | 125.0° |
| N10 | C11 | N12 | 121.3° | 122.5° |
| N10 | C11 | H8 | 119.4° | 118.8° |
| C05 | N02 | C01 | 125.3° | 126.3° |
| N02 | C05 | N12 | 133.8° | 134.8° |
| N02 | C01 | H1 | 109.5° | 109.4° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| C05 | N12 | C11 | 120.8° | 120.6° |
| N12 | C11 | H8 | 119.4° | 118.8° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C09 | H6 | 109.5° | 109.5° |
| H5 | C09 | H7 | 109.5° | 109.4° |
| H6 | C09 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | N08 | C07 | H9 | 121.4° | 179.9° |
| C09 | N08 | C07 | C06 | 178.3° | 180.0° |
| C09 | N08 | C07 | N10 | 2.0° | 0.1° |
| N08 | C09 | H5 | H6 | 120.0° | 120.0° |
| N08 | C09 | H5 | H7 | 120.0° | 120.0° |
| N08 | C09 | H6 | H7 | 120.0° | 120.1° |
| N08 | C07 | C06 | N04 | 0.3° | 0.0° |
| N08 | C07 | C06 | N10 | 179.7° | 180.0° |
| N08 | C07 | C06 | C05 | 179.6° | 180.0° |
| N08 | C07 | N10 | C11 | 179.8° | 179.9° |
| C07 | N08 | C09 | H5 | 180.0° | 180.0° |
| C07 | N08 | C09 | H6 | 60.0° | 60.0° |
| C07 | N08 | C09 | H7 | 60.0° | 60.1° |
| N04 | C06 | C07 | C05 | 179.9° | 180.0° |
| N04 | C06 | C07 | N10 | 180.0° | 180.0° |
| C06 | N04 | C03 | N02 | 0.5° | 0.0° |
| N04 | C06 | C05 | N02 | 0.2° | 0.0° |
| N04 | C06 | C05 | N12 | 179.8° | 180.0° |
| C06 | N04 | C03 | H4 | 179.5° | 180.0° |
| C03 | N04 | C06 | C07 | 179.7° | 180.0° |
| C03 | N04 | C06 | C05 | 0.4° | 0.0° |
| N04 | C03 | N02 | H4 | 180.0° | 180.0° |
| N04 | C03 | N02 | C05 | 0.3° | 0.0° |
| N04 | C03 | N02 | C01 | 179.7° | 180.0° |
| C06 | C07 | N10 | C11 | 0.1° | 0.2° |
| C07 | C06 | C05 | N02 | 179.8° | 180.0° |
| C07 | C06 | C05 | N12 | 0.3° | 0.0° |
| C06 | C07 | N08 | H9 | 56.9° | 0.1° |
| N10 | C07 | C06 | C05 | 0.1° | 0.0° |
| C07 | N10 | C11 | N12 | 0.2° | 0.2° |
| C07 | N10 | C11 | H8 | 179.8° | 179.9° |
| N10 | C07 | N08 | H9 | 123.4° | 180.0° |
| C06 | C05 | N02 | C03 | 0.1° | 0.0° |
| C06 | C05 | N02 | N12 | 179.5° | 180.0° |
| C06 | C05 | N02 | C01 | 179.9° | 180.0° |
| C06 | C05 | N12 | C11 | 0.2° | 0.1° |
| C03 | N02 | C05 | C01 | 180.0° | 180.0° |
| C03 | N02 | C05 | N12 | 179.4° | 180.0° |
| C03 | N02 | C01 | H1 | 180.0° | 90.0° |
| C03 | N02 | C01 | H2 | 60.0° | 150.0° |
| C03 | N02 | C01 | H3 | 60.0° | 30.0° |
| N10 | C11 | N12 | C05 | 0.1° | 0.2° |
| N10 | C11 | N12 | H8 | 180.0° | 179.8° |
| N02 | C05 | N12 | C11 | 179.6° | 179.9° |
| C05 | N02 | C01 | H1 | 0.0° | 90.0° |
| C05 | N02 | C01 | H2 | 120.0° | 30.0° |
| C05 | N02 | C01 | H3 | 120.0° | 150.0° |
| C05 | N02 | C03 | H4 | 179.7° | 180.0° |
| C01 | N02 | C05 | N12 | 0.6° | 0.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 0.3° | 0.0° |
| C05 | N12 | C11 | H8 | 179.9° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H5 | C09 | H6 | H7 | 120.0° | 119.9° |
| H5 | C09 | N08 | H9 | 58.6° | 0.1° |
| H6 | C09 | N08 | H9 | 61.4° | 119.9° |
| H7 | C09 | N08 | H9 | 178.6° | 120.0° |
