OYN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N10 | sing | 1.46Å | 1.45Å | |
| N10 | C09 | sing | 1.38Å | 1.44Å | |
| N07 | C08 | sing | 1.36Å | 1.36Å | Aromatic |
| N07 | C06 | doub | 1.30Å | 1.33Å | Aromatic |
| C09 | C08 | doub | 1.41Å | 1.43Å | Aromatic |
| C09 | N12 | sing | 1.33Å | 1.32Å | Aromatic |
| C08 | C04 | sing | 1.40Å | 1.36Å | Aromatic |
| C06 | N05 | sing | 1.36Å | 1.34Å | Aromatic |
| N12 | C02 | doub | 1.32Å | 1.32Å | Aromatic |
| C04 | N05 | sing | 1.37Å | 1.35Å | Aromatic |
| C04 | N03 | doub | 1.33Å | 1.36Å | Aromatic |
| C02 | N03 | sing | 1.32Å | 1.31Å | Aromatic |
| C02 | CL1 | sing | 1.74Å | 1.78Å | |
| C06 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| N05 | H5 | sing | 0.97Å | 1.00Å | |
| N10 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N10 | C09 | 119.9° | 120.0° |
| N10 | C11 | H2 | 109.5° | 109.5° |
| N10 | C11 | H3 | 109.4° | 109.5° |
| N10 | C11 | H4 | 109.4° | 109.5° |
| C11 | N10 | H7 | 106.8° | 120.0° |
| N10 | C09 | C08 | 121.0° | 120.8° |
| N10 | C09 | N12 | 121.4° | 120.7° |
| C09 | N10 | H7 | 106.8° | 119.9° |
| C08 | N07 | C06 | 108.2° | 109.5° |
| N07 | C08 | C09 | 132.2° | 134.7° |
| N07 | C08 | C04 | 107.1° | 107.1° |
| N07 | C06 | N05 | 108.9° | 110.0° |
| N07 | C06 | H1 | 125.6° | 125.0° |
| C08 | C09 | N12 | 117.7° | 118.4° |
| C09 | C08 | C04 | 120.7° | 118.2° |
| C09 | N12 | C02 | 119.4° | 121.2° |
| C08 | C04 | N05 | 107.9° | 106.0° |
| C08 | C04 | N03 | 117.9° | 119.1° |
| C06 | N05 | C04 | 107.9° | 107.5° |
| N05 | C06 | H1 | 125.6° | 125.0° |
| C06 | N05 | H5 | 126.0° | 126.3° |
| N12 | C02 | N03 | 124.9° | 122.4° |
| N12 | C02 | CL1 | 118.1° | 118.8° |
| N05 | C04 | N03 | 134.3° | 134.9° |
| C04 | N05 | H5 | 126.0° | 126.2° |
| C04 | N03 | C02 | 119.4° | 120.6° |
| N03 | C02 | CL1 | 117.0° | 118.8° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H2 | C11 | H4 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N10 | C09 | H7 | 121.5° | 179.9° |
| C11 | N10 | C09 | C08 | 175.7° | 180.0° |
| C11 | N10 | C09 | N12 | 4.7° | 0.0° |
| N10 | C11 | H2 | H3 | 120.0° | 120.0° |
| N10 | C11 | H2 | H4 | 120.0° | 120.0° |
| N10 | C11 | H3 | H4 | 120.0° | 120.0° |
| N10 | C09 | C08 | N07 | 0.6° | 0.0° |
| N10 | C09 | C08 | N12 | 179.7° | 180.0° |
| N10 | C09 | C08 | C04 | 179.7° | 180.0° |
| N10 | C09 | N12 | C02 | 179.3° | 180.0° |
| C09 | N10 | C11 | H2 | 180.0° | 60.0° |
| C09 | N10 | C11 | H3 | 60.0° | 60.0° |
| C09 | N10 | C11 | H4 | 60.0° | 180.0° |
| N07 | C08 | C09 | C04 | 179.7° | 180.0° |
| N07 | C08 | C09 | N12 | 179.8° | 180.0° |
| C08 | N07 | C06 | N05 | 0.0° | 0.0° |
| N07 | C08 | C04 | N05 | 0.1° | 0.0° |
| N07 | C08 | C04 | N03 | 180.0° | 180.0° |
| C08 | N07 | C06 | H1 | 179.9° | 179.9° |
| C06 | N07 | C08 | C09 | 179.8° | 180.0° |
| C06 | N07 | C08 | C04 | 0.1° | 0.0° |
| N07 | C06 | N05 | H1 | 180.0° | 179.9° |
| N07 | C06 | N05 | C04 | 0.0° | 0.0° |
| N07 | C06 | N05 | H5 | 180.0° | 179.9° |
| C08 | C09 | N12 | C02 | 0.3° | 0.0° |
| C09 | C08 | C04 | N05 | 179.9° | 180.0° |
| C09 | C08 | C04 | N03 | 0.3° | 0.0° |
| C08 | C09 | N10 | H7 | 54.2° | 0.1° |
| N12 | C09 | C08 | C04 | 0.1° | 0.0° |
| C09 | N12 | C02 | N03 | 0.5° | 0.0° |
| C09 | N12 | C02 | CL1 | 180.0° | 180.0° |
| N12 | C09 | N10 | H7 | 126.1° | 179.9° |
| C08 | C04 | N05 | C06 | 0.1° | 0.0° |
| C08 | C04 | N05 | N03 | 179.8° | 180.0° |
| C08 | C04 | N03 | C02 | 0.1° | 0.0° |
| C08 | C04 | N05 | H5 | 179.9° | 179.9° |
| C06 | N05 | C04 | H5 | 180.0° | 179.9° |
| C06 | N05 | C04 | N03 | 179.9° | 180.0° |
| N12 | C02 | N03 | C04 | 0.3° | 0.0° |
| N12 | C02 | N03 | CL1 | 179.5° | 180.0° |
| N05 | C04 | N03 | C02 | 179.9° | 180.0° |
| C04 | N05 | C06 | H1 | 180.0° | 179.9° |
| C04 | N03 | C02 | CL1 | 179.8° | 180.0° |
| N03 | C04 | N05 | H5 | 0.1° | 0.1° |
| H1 | C06 | N05 | H5 | 0.0° | 0.0° |
| H2 | C11 | H3 | H4 | 120.0° | 120.0° |
| H2 | C11 | N10 | H7 | 58.6° | 120.0° |
| H3 | C11 | N10 | H7 | 61.4° | 120.0° |
| H4 | C11 | N10 | H7 | 178.5° | 0.1° |
