YZK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | N03 | sing | 1.34Å | 1.32Å | Aromatic |
| C04 | C05 | doub | 1.35Å | 1.39Å | Aromatic |
| N03 | C02 | doub | 1.31Å | 1.33Å | Aromatic |
| C05 | N06 | sing | 1.37Å | 1.33Å | Aromatic |
| C02 | N06 | sing | 1.36Å | 1.33Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| N06 | C07 | sing | 1.40Å | 1.33Å | |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | N11 | doub | 1.32Å | 1.32Å | Aromatic |
| C10 | N11 | sing | 1.32Å | 1.31Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N03 | C04 | C05 | 106.3° | 108.2° |
| C04 | N03 | C02 | 109.4° | 109.3° |
| N03 | C04 | H5 | 126.9° | 125.9° |
| C04 | C05 | N06 | 107.8° | 106.9° |
| C05 | C04 | H5 | 126.9° | 125.9° |
| C04 | C05 | H6 | 126.1° | 126.5° |
| N03 | C02 | N06 | 108.7° | 108.6° |
| N03 | C02 | C01 | 123.9° | 125.7° |
| C05 | N06 | C02 | 107.9° | 107.0° |
| C05 | N06 | C07 | 123.7° | 126.5° |
| N06 | C05 | H6 | 126.1° | 126.6° |
| N06 | C02 | C01 | 127.4° | 125.7° |
| C02 | N06 | C07 | 128.3° | 126.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| N06 | C07 | C08 | 120.9° | 120.5° |
| N06 | C07 | C12 | 121.0° | 120.5° |
| C07 | C08 | C09 | 119.5° | 118.4° |
| C08 | C07 | C12 | 117.9° | 119.0° |
| C07 | C08 | H7 | 120.2° | 120.8° |
| C08 | C09 | C10 | 118.9° | 119.2° |
| C09 | C08 | H7 | 120.3° | 120.8° |
| C08 | C09 | H8 | 120.6° | 120.4° |
| C07 | C12 | N11 | 121.4° | 120.7° |
| C07 | C12 | H9 | 119.3° | 119.6° |
| C09 | C10 | N11 | 120.3° | 120.9° |
| C09 | C10 | H1 | 119.9° | 119.6° |
| C10 | C09 | H8 | 120.6° | 120.3° |
| C12 | N11 | C10 | 122.0° | 121.8° |
| N11 | C12 | H9 | 119.3° | 119.7° |
| N11 | C10 | H1 | 119.8° | 119.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N03 | C04 | C05 | H5 | 180.0° | 180.0° |
| N03 | C04 | C05 | N06 | 0.3° | 0.0° |
| C04 | N03 | C02 | N06 | 0.8° | 0.0° |
| C04 | N03 | C02 | C01 | 179.3° | 179.7° |
| N03 | C04 | C05 | H6 | 179.7° | 180.0° |
| C05 | C04 | N03 | C02 | 0.3° | 0.0° |
| C04 | C05 | N06 | H6 | 180.0° | 180.0° |
| C04 | C05 | N06 | C02 | 0.7° | 0.0° |
| C04 | C05 | N06 | C07 | 177.2° | 179.7° |
| N03 | C02 | N06 | C05 | 0.9° | 0.0° |
| N03 | C02 | N06 | C01 | 178.4° | 179.8° |
| N03 | C02 | N06 | C07 | 177.2° | 179.7° |
| N03 | C02 | C01 | H2 | 0.0° | 89.7° |
| N03 | C02 | C01 | H3 | 120.0° | 30.3° |
| N03 | C02 | C01 | H4 | 120.0° | 150.3° |
| C02 | N03 | C04 | H5 | 179.7° | 180.0° |
| C05 | N06 | C02 | C07 | 176.2° | 179.7° |
| C05 | N06 | C02 | C01 | 179.4° | 179.7° |
| C05 | N06 | C07 | C08 | 108.2° | 50.8° |
| C05 | N06 | C07 | C12 | 65.6° | 129.6° |
| N06 | C05 | C04 | H5 | 179.8° | 180.0° |
| C02 | N06 | C07 | C08 | 67.5° | 129.5° |
| C02 | N06 | C07 | C12 | 118.7° | 50.0° |
| N06 | C02 | C01 | H2 | 178.2° | 90.0° |
| N06 | C02 | C01 | H3 | 61.8° | 150.0° |
| N06 | C02 | C01 | H4 | 58.2° | 30.0° |
| C02 | N06 | C05 | H6 | 179.3° | 180.0° |
| C01 | C02 | N06 | C07 | 4.4° | 0.1° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| N06 | C07 | C08 | C12 | 173.9° | 179.6° |
| N06 | C07 | C08 | C09 | 177.7° | 179.7° |
| N06 | C07 | C12 | N11 | 176.5° | 180.0° |
| C07 | N06 | C05 | H6 | 2.8° | 0.3° |
| N06 | C07 | C08 | H7 | 2.3° | 0.1° |
| N06 | C07 | C12 | H9 | 3.5° | 0.4° |
| C07 | C08 | C09 | H7 | 180.0° | 179.8° |
| C07 | C08 | C09 | C10 | 3.1° | 0.5° |
| C08 | C07 | C12 | N11 | 2.6° | 0.4° |
| C07 | C08 | C09 | H8 | 176.9° | 179.5° |
| C08 | C07 | C12 | H9 | 177.4° | 180.0° |
| C09 | C08 | C07 | C12 | 3.8° | 0.7° |
| C08 | C09 | C10 | H8 | 180.0° | 179.9° |
| C08 | C09 | C10 | N11 | 1.1° | 0.0° |
| C08 | C09 | C10 | H1 | 178.9° | 179.8° |
| C07 | C12 | N11 | H9 | 180.0° | 179.6° |
| C07 | C12 | N11 | C10 | 0.6° | 0.1° |
| C12 | C07 | C08 | H7 | 176.2° | 179.5° |
| C09 | C10 | N11 | C12 | 0.2° | 0.3° |
| C09 | C10 | N11 | H1 | 180.0° | 179.8° |
| C10 | C09 | C08 | H7 | 176.9° | 179.7° |
| C12 | N11 | C10 | H1 | 179.8° | 180.0° |
| N11 | C10 | C09 | H8 | 178.9° | 179.9° |
| C10 | N11 | C12 | H9 | 179.4° | 179.5° |
| H1 | C10 | C09 | H8 | 1.1° | 0.3° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H5 | C04 | C05 | H6 | 0.3° | 0.1° |
| H7 | C08 | C09 | H8 | 3.1° | 0.3° |






