J9Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| N12 | C07 | sing | 1.40Å | 1.42Å | |
| C07 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.40Å | |
| C05 | C04 | doub | 1.36Å | 1.39Å | Aromatic |
| C05 | O01 | sing | 1.35Å | 1.36Å | Aromatic |
| C04 | N03 | sing | 1.34Å | 1.35Å | Aromatic |
| O01 | C02 | sing | 1.34Å | 1.36Å | Aromatic |
| N03 | C02 | doub | 1.30Å | 1.35Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| N12 | H2 | sing | 0.97Å | 1.00Å | |
| N12 | H3 | sing | 0.97Å | 1.00Å | |
| C02 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C07 | 120.5° | 120.1° |
| C08 | C09 | C10 | 119.6° | 120.4° |
| C09 | C08 | H6 | 119.7° | 119.9° |
| C08 | C09 | H7 | 120.2° | 119.9° |
| C08 | C07 | N12 | 119.4° | 120.1° |
| C08 | C07 | C06 | 120.2° | 119.7° |
| C07 | C08 | H6 | 119.8° | 120.0° |
| C09 | C10 | C11 | 119.9° | 120.3° |
| C09 | C10 | H1 | 120.0° | 119.9° |
| C10 | C09 | H7 | 120.2° | 119.8° |
| N12 | C07 | C06 | 120.4° | 120.1° |
| C07 | N12 | H2 | 109.5° | 120.0° |
| C07 | N12 | H3 | 109.4° | 120.0° |
| C07 | C06 | C11 | 119.1° | 119.6° |
| C07 | C06 | C05 | 120.9° | 120.1° |
| C10 | C11 | C06 | 120.7° | 120.0° |
| C11 | C10 | H1 | 120.0° | 119.8° |
| C10 | C11 | H8 | 119.7° | 120.0° |
| C11 | C06 | C05 | 120.0° | 120.2° |
| C06 | C11 | H8 | 119.6° | 120.0° |
| C06 | C05 | C04 | 126.4° | 126.6° |
| C06 | C05 | O01 | 127.2° | 126.6° |
| C04 | C05 | O01 | 106.5° | 106.8° |
| C05 | C04 | N03 | 108.1° | 107.5° |
| C05 | C04 | H5 | 126.0° | 126.2° |
| C05 | O01 | C02 | 108.6° | 107.8° |
| C04 | N03 | C02 | 108.9° | 108.9° |
| N03 | C04 | H5 | 125.9° | 126.2° |
| O01 | C02 | N03 | 108.1° | 109.0° |
| O01 | C02 | H4 | 125.9° | 125.5° |
| N03 | C02 | H4 | 126.0° | 125.5° |
| H2 | N12 | H3 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C07 | H6 | 180.0° | 179.4° |
| C08 | C09 | C10 | H7 | 180.0° | 180.0° |
| C09 | C08 | C07 | N12 | 179.8° | 179.7° |
| C09 | C08 | C07 | C06 | 0.0° | 0.8° |
| C08 | C09 | C10 | C11 | 0.0° | 0.0° |
| C08 | C09 | C10 | H1 | 180.0° | 179.7° |
| C07 | C08 | C09 | C10 | 0.0° | 0.5° |
| C08 | C07 | N12 | C06 | 179.8° | 179.4° |
| C08 | C07 | C06 | C11 | 0.0° | 0.5° |
| C08 | C07 | C06 | C05 | 179.8° | 179.5° |
| C08 | C07 | N12 | H2 | 180.0° | 179.5° |
| C08 | C07 | N12 | H3 | 60.0° | 0.5° |
| C07 | C08 | C09 | H7 | 180.0° | 179.5° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C06 | 0.0° | 0.3° |
| C10 | C09 | C08 | H6 | 180.0° | 179.9° |
| C09 | C10 | C11 | H8 | 180.0° | 179.8° |
| N12 | C07 | C06 | C11 | 179.8° | 180.0° |
| N12 | C07 | C06 | C05 | 0.0° | 0.0° |
| C07 | N12 | H2 | H3 | 120.0° | 180.0° |
| N12 | C07 | C08 | H6 | 0.2° | 0.3° |
| C07 | C06 | C11 | C10 | 0.0° | 0.0° |
| C07 | C06 | C11 | C05 | 179.8° | 180.0° |
| C07 | C06 | C05 | C04 | 169.6° | 130.1° |
| C07 | C06 | C05 | O01 | 10.6° | 50.0° |
| C06 | C07 | N12 | H2 | 0.2° | 0.0° |
| C06 | C07 | N12 | H3 | 120.2° | 180.0° |
| C06 | C07 | C08 | H6 | 180.0° | 179.8° |
| C07 | C06 | C11 | H8 | 180.0° | 180.0° |
| C10 | C11 | C06 | H8 | 180.0° | 180.0° |
| C10 | C11 | C06 | C05 | 179.9° | 180.0° |
| C11 | C10 | C09 | H7 | 180.0° | 180.0° |
| C11 | C06 | C05 | C04 | 10.2° | 50.0° |
| C11 | C06 | C05 | O01 | 169.6° | 129.9° |
| C06 | C11 | C10 | H1 | 180.0° | 180.0° |
| C06 | C05 | C04 | O01 | 179.9° | 179.9° |
| C06 | C05 | C04 | N03 | 179.8° | 179.9° |
| C06 | C05 | O01 | C02 | 179.7° | 179.9° |
| C06 | C05 | C04 | H5 | 0.2° | 0.1° |
| C05 | C06 | C11 | H8 | 0.1° | 0.0° |
| C05 | C04 | N03 | H5 | 180.0° | 180.0° |
| C04 | C05 | O01 | C02 | 0.4° | 0.0° |
| C05 | C04 | N03 | C02 | 0.1° | 0.0° |
| O01 | C05 | C04 | N03 | 0.3° | 0.0° |
| C05 | O01 | C02 | N03 | 0.4° | 0.0° |
| C05 | O01 | C02 | H4 | 179.6° | 180.0° |
| O01 | C05 | C04 | H5 | 179.6° | 180.0° |
| C04 | N03 | C02 | O01 | 0.2° | 0.0° |
| C04 | N03 | C02 | H4 | 179.8° | 180.0° |
| O01 | C02 | N03 | H4 | 180.0° | 180.0° |
| C02 | N03 | C04 | H5 | 179.9° | 180.0° |
| H1 | C10 | C09 | H7 | 0.0° | 0.3° |
| H1 | C10 | C11 | H8 | 0.0° | 0.1° |
| H6 | C08 | C09 | H7 | 0.1° | 0.1° |
