07K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.36Å | 1.36Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | C01 | sing | 1.40Å | 1.42Å | Aromatic |
| N07 | C06 | sing | 1.39Å | 1.36Å | |
| C09 | C08 | doub | 1.36Å | 1.37Å | Aromatic |
| C01 | C06 | doub | 1.41Å | 1.44Å | Aromatic |
| C01 | C02 | sing | 1.42Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C02 | sing | 1.41Å | 1.43Å | Aromatic |
| C08 | C12 | sing | 1.51Å | 1.49Å | |
| C02 | N03 | doub | 1.34Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| N03 | C04 | sing | 1.31Å | 1.34Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| N07 | H4 | sing | 0.97Å | 1.00Å | |
| N07 | H5 | sing | 0.97Å | 1.00Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 120.3° | 120.9° |
| C10 | C11 | C01 | 120.5° | 119.6° |
| C11 | C10 | H1 | 119.8° | 119.5° |
| C10 | C11 | H7 | 119.7° | 120.2° |
| C10 | C09 | C08 | 120.9° | 121.0° |
| C09 | C10 | H1 | 119.8° | 119.6° |
| C10 | C09 | H6 | 119.6° | 119.5° |
| C11 | C01 | C06 | 123.3° | 121.4° |
| C11 | C01 | C02 | 119.4° | 119.7° |
| C01 | C11 | H7 | 119.7° | 120.1° |
| N07 | C06 | C01 | 119.8° | 121.0° |
| N07 | C06 | C05 | 120.8° | 121.1° |
| C06 | N07 | H4 | 109.5° | 120.1° |
| C06 | N07 | H5 | 109.5° | 120.0° |
| C09 | C08 | C02 | 119.6° | 119.8° |
| C09 | C08 | C12 | 121.3° | 120.1° |
| C08 | C09 | H6 | 119.5° | 119.5° |
| C06 | C01 | C02 | 117.3° | 118.9° |
| C01 | C06 | C05 | 119.4° | 117.9° |
| C01 | C02 | C08 | 119.3° | 119.0° |
| C01 | C02 | N03 | 123.3° | 120.0° |
| C06 | C05 | C04 | 118.4° | 119.7° |
| C06 | C05 | H3 | 120.8° | 120.2° |
| C02 | C08 | C12 | 119.0° | 120.1° |
| C08 | C02 | N03 | 117.4° | 121.0° |
| C08 | C12 | H8 | 109.5° | 109.5° |
| C08 | C12 | H9 | 109.4° | 109.5° |
| C08 | C12 | H10 | 109.5° | 109.5° |
| C02 | N03 | C04 | 116.6° | 121.7° |
| C05 | C04 | N03 | 125.0° | 121.8° |
| C05 | C04 | H2 | 117.5° | 119.1° |
| C04 | C05 | H3 | 120.8° | 120.2° |
| N03 | C04 | H2 | 117.5° | 119.1° |
| H4 | N07 | H5 | 109.5° | 120.0° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H8 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C11 | C01 | H7 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 0.3° | 0.1° |
| C10 | C11 | C01 | C06 | 179.9° | 180.0° |
| C10 | C11 | C01 | C02 | 0.4° | 0.1° |
| C11 | C10 | C09 | H6 | 179.7° | 180.0° |
| C09 | C10 | C11 | C01 | 1.1° | 0.1° |
| C10 | C09 | C08 | H6 | 180.0° | 179.9° |
| C10 | C09 | C08 | C02 | 1.1° | 0.1° |
| C10 | C09 | C08 | C12 | 178.6° | 180.0° |
| C09 | C10 | C11 | H7 | 178.9° | 180.0° |
| C11 | C01 | C06 | N07 | 0.4° | 0.0° |
| C11 | C01 | C06 | C02 | 179.7° | 180.0° |
| C11 | C01 | C06 | C05 | 179.8° | 180.0° |
| C11 | C01 | C02 | C08 | 1.0° | 0.1° |
| C11 | C01 | C02 | N03 | 179.8° | 180.0° |
| C01 | C11 | C10 | H1 | 178.9° | 179.8° |
| N07 | C06 | C01 | C05 | 179.5° | 180.0° |
| N07 | C06 | C01 | C02 | 179.9° | 180.0° |
| N07 | C06 | C05 | C04 | 179.8° | 180.0° |
| N07 | C06 | C05 | H3 | 0.3° | 0.0° |
| C06 | N07 | H4 | H5 | 120.0° | 179.9° |
| C09 | C08 | C02 | C01 | 1.8° | 0.1° |
| C09 | C08 | C02 | C12 | 177.5° | 180.0° |
| C09 | C08 | C02 | N03 | 179.0° | 179.9° |
| C08 | C09 | C10 | H1 | 179.7° | 179.8° |
| C09 | C08 | C12 | H8 | 91.3° | 90.0° |
| C09 | C08 | C12 | H9 | 148.7° | 30.0° |
| C09 | C08 | C12 | H10 | 28.7° | 149.9° |
| C06 | C01 | C02 | C08 | 178.7° | 180.0° |
| C06 | C01 | C02 | N03 | 0.5° | 0.1° |
| C01 | C06 | C05 | C04 | 0.8° | 0.1° |
| C01 | C06 | C05 | H3 | 179.2° | 180.0° |
| C01 | C06 | N07 | H4 | 180.0° | 0.1° |
| C01 | C06 | N07 | H5 | 60.0° | 180.0° |
| C06 | C01 | C11 | H7 | 0.1° | 0.0° |
| C02 | C01 | C06 | C05 | 0.4° | 0.1° |
| C01 | C02 | C08 | N03 | 179.2° | 179.9° |
| C01 | C02 | C08 | C12 | 179.3° | 180.0° |
| C01 | C02 | N03 | C04 | 0.8° | 0.1° |
| C02 | C01 | C11 | H7 | 179.6° | 180.0° |
| C06 | C05 | C04 | H3 | 180.0° | 179.9° |
| C06 | C05 | C04 | N03 | 1.3° | 0.1° |
| C06 | C05 | C04 | H2 | 178.7° | 180.0° |
| C05 | C06 | N07 | H4 | 0.5° | 180.0° |
| C05 | C06 | N07 | H5 | 120.5° | 0.0° |
| C08 | C02 | N03 | C04 | 178.4° | 180.0° |
| C02 | C08 | C09 | H6 | 178.9° | 180.0° |
| C02 | C08 | C12 | H8 | 91.2° | 90.0° |
| C02 | C08 | C12 | H9 | 28.8° | 150.0° |
| C02 | C08 | C12 | H10 | 148.8° | 30.0° |
| C12 | C08 | C02 | N03 | 1.5° | 0.1° |
| C12 | C08 | C09 | H6 | 1.4° | 0.1° |
| C08 | C12 | H8 | H9 | 120.0° | 120.0° |
| C08 | C12 | H8 | H10 | 120.0° | 120.0° |
| C08 | C12 | H9 | H10 | 120.0° | 120.0° |
| C02 | N03 | C04 | C05 | 1.3° | 0.1° |
| C02 | N03 | C04 | H2 | 178.8° | 180.0° |
| C05 | C04 | N03 | H2 | 180.0° | 179.9° |
| N03 | C04 | C05 | H3 | 178.7° | 180.0° |
| H1 | C10 | C09 | H6 | 0.3° | 0.4° |
| H1 | C10 | C11 | H7 | 1.1° | 0.3° |
| H2 | C04 | C05 | H3 | 1.3° | 0.1° |
| H8 | C12 | H9 | H10 | 120.0° | 120.0° |
