J9T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N08 | C07 | doub | 1.32Å | 1.34Å | Aromatic |
| N08 | C09 | sing | 1.32Å | 1.33Å | Aromatic |
| N10 | C09 | sing | 1.39Å | 1.40Å | |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C05 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | C03 | sing | 1.48Å | 1.49Å | |
| C03 | O02 | sing | 1.35Å | 1.38Å | |
| C03 | O04 | doub | 1.21Å | 1.21Å | |
| O02 | C01 | sing | 1.45Å | 1.40Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| N10 | H6 | sing | 0.97Å | 1.00Å | |
| N10 | H7 | sing | 0.97Å | 1.00Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | N08 | C09 | 121.3° | 122.0° |
| N08 | C07 | C06 | 119.0° | 120.9° |
| N08 | C07 | H5 | 120.5° | 119.5° |
| N08 | C09 | N10 | 118.7° | 119.7° |
| N08 | C09 | C11 | 122.9° | 120.6° |
| N10 | C09 | C11 | 118.4° | 119.7° |
| C09 | N10 | H6 | 109.5° | 120.1° |
| C09 | N10 | H7 | 109.4° | 120.0° |
| C07 | C06 | C05 | 119.6° | 119.2° |
| C07 | C06 | H4 | 120.2° | 120.4° |
| C06 | C07 | H5 | 120.5° | 119.5° |
| C09 | C11 | C05 | 116.8° | 119.0° |
| C09 | C11 | H8 | 121.6° | 120.5° |
| C06 | C05 | C11 | 120.3° | 118.2° |
| C06 | C05 | C03 | 120.8° | 120.9° |
| C05 | C06 | H4 | 120.2° | 120.5° |
| C11 | C05 | C03 | 118.8° | 120.9° |
| C05 | C11 | H8 | 121.6° | 120.6° |
| C05 | C03 | O02 | 117.2° | 120.0° |
| C05 | C03 | O04 | 121.8° | 120.0° |
| O02 | C03 | O04 | 120.9° | 120.0° |
| C03 | O02 | C01 | 113.5° | 117.0° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.4° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | N10 | H7 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | N08 | C09 | N10 | 179.7° | 180.0° |
| N08 | C07 | C06 | H5 | 180.0° | 180.0° |
| C07 | N08 | C09 | C11 | 0.6° | 0.3° |
| N08 | C07 | C06 | C05 | 1.0° | 0.0° |
| N08 | C07 | C06 | H4 | 179.0° | 180.0° |
| N08 | C09 | N10 | C11 | 179.2° | 179.7° |
| C09 | N08 | C07 | C06 | 0.3° | 0.1° |
| N08 | C09 | C11 | C05 | 0.8° | 0.5° |
| C09 | N08 | C07 | H5 | 179.6° | 179.9° |
| N08 | C09 | N10 | H6 | 0.0° | 0.0° |
| N08 | C09 | N10 | H7 | 120.0° | 180.0° |
| N08 | C09 | C11 | H8 | 179.2° | 179.9° |
| N10 | C09 | C11 | C05 | 180.0° | 179.8° |
| C09 | N10 | H6 | H7 | 120.0° | 179.9° |
| N10 | C09 | C11 | H8 | 0.0° | 0.2° |
| C07 | C06 | C05 | H4 | 180.0° | 180.0° |
| C07 | C06 | C05 | C11 | 0.8° | 0.3° |
| C07 | C06 | C05 | C03 | 178.1° | 180.0° |
| C09 | C11 | C05 | C06 | 0.1° | 0.5° |
| C09 | C11 | C05 | H8 | 180.0° | 179.5° |
| C09 | C11 | C05 | C03 | 179.0° | 179.8° |
| C11 | C09 | N10 | H6 | 179.2° | 179.8° |
| C11 | C09 | N10 | H7 | 60.8° | 0.3° |
| C06 | C05 | C11 | C03 | 178.9° | 179.7° |
| C06 | C05 | C03 | O02 | 1.1° | 0.1° |
| C06 | C05 | C03 | O04 | 176.5° | 180.0° |
| C05 | C06 | C07 | H5 | 179.0° | 180.0° |
| C06 | C05 | C11 | H8 | 179.9° | 180.0° |
| C11 | C05 | C03 | O02 | 180.0° | 179.8° |
| C11 | C05 | C03 | O04 | 2.4° | 0.3° |
| C11 | C05 | C06 | H4 | 179.2° | 179.8° |
| C05 | C03 | O02 | O04 | 177.6° | 179.9° |
| C05 | C03 | O02 | C01 | 172.2° | 180.0° |
| C03 | C05 | C06 | H4 | 1.9° | 0.1° |
| C03 | C05 | C11 | H8 | 0.9° | 0.3° |
| C03 | O02 | C01 | H1 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.1° |
| C03 | O02 | C01 | H3 | 60.0° | 59.9° |
| O04 | C03 | O02 | C01 | 5.4° | 0.1° |
| O02 | C01 | H1 | H2 | 120.0° | 119.9° |
| O02 | C01 | H1 | H3 | 120.0° | 120.1° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C06 | C07 | H5 | 1.0° | 0.0° |
