A1I27
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N09 | C10 | doub | 1.32Å | 1.26Å | Aromatic |
| N09 | N08 | sing | 1.28Å | 1.26Å | Aromatic |
| O04 | C03 | doub | 1.22Å | 1.16Å | |
| C10 | C05 | sing | 1.40Å | 1.34Å | Aromatic |
| N08 | C07 | doub | 1.32Å | 1.27Å | Aromatic |
| C03 | C05 | sing | 1.48Å | 1.49Å | |
| C03 | O02 | sing | 1.35Å | 1.34Å | |
| C05 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.36Å | Aromatic |
| O02 | C01 | sing | 1.45Å | 1.39Å | |
| 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 | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N09 | N08 | 123.0° | 122.3° |
| N09 | C10 | C05 | 120.7° | 119.6° |
| N09 | C10 | H1 | 119.7° | 120.1° |
| N09 | N08 | C07 | 122.1° | 122.5° |
| O04 | C03 | C05 | 120.4° | 120.0° |
| O04 | C03 | O02 | 118.0° | 120.0° |
| C10 | C05 | C03 | 113.5° | 121.1° |
| C10 | C05 | C06 | 117.6° | 117.7° |
| C05 | C10 | H1 | 119.7° | 120.2° |
| N08 | C07 | C06 | 120.8° | 120.0° |
| N08 | C07 | H6 | 119.6° | 120.0° |
| C05 | C03 | O02 | 121.5° | 120.0° |
| C03 | C05 | C06 | 128.9° | 121.2° |
| C03 | O02 | C01 | 118.0° | 117.1° |
| C05 | C06 | C07 | 115.7° | 117.8° |
| C05 | C06 | H5 | 122.1° | 121.1° |
| C07 | C06 | H5 | 122.1° | 121.1° |
| C06 | C07 | H6 | 119.6° | 120.0° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| O02 | C01 | H4 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N09 | C10 | C05 | H1 | 180.0° | 179.8° |
| C10 | N09 | N08 | C07 | 0.5° | 0.5° |
| N09 | C10 | C05 | C03 | 179.2° | 179.7° |
| N09 | C10 | C05 | C06 | 1.3° | 0.2° |
| N08 | N09 | C10 | C05 | 1.2° | 0.5° |
| N09 | N08 | C07 | C06 | 0.0° | 0.3° |
| N08 | N09 | C10 | H1 | 178.8° | 179.7° |
| N09 | N08 | C07 | H6 | 180.0° | 179.8° |
| O04 | C03 | C05 | C10 | 6.4° | 180.0° |
| O04 | C03 | C05 | O02 | 176.8° | 180.0° |
| O04 | C03 | C05 | C06 | 172.9° | 0.0° |
| O04 | C03 | O02 | C01 | 144.0° | 0.0° |
| C10 | C05 | C03 | C06 | 179.3° | 180.0° |
| C10 | C05 | C03 | O02 | 170.4° | 0.0° |
| C10 | C05 | C06 | C07 | 0.9° | 0.0° |
| C10 | C05 | C06 | H5 | 179.1° | 180.0° |
| N08 | C07 | C06 | C05 | 0.3° | 0.0° |
| N08 | C07 | C06 | H6 | 180.0° | 179.9° |
| N08 | C07 | C06 | H5 | 179.7° | 180.0° |
| C03 | C05 | C06 | C07 | 179.8° | 180.0° |
| C05 | C03 | O02 | C01 | 39.1° | 180.0° |
| C03 | C05 | C10 | H1 | 0.8° | 0.1° |
| C03 | C05 | C06 | H5 | 0.2° | 0.0° |
| O02 | C03 | C05 | C06 | 10.3° | 180.0° |
| C03 | O02 | C01 | H2 | 180.0° | 179.9° |
| C03 | O02 | C01 | H3 | 60.0° | 59.9° |
| C03 | O02 | C01 | H4 | 60.0° | 60.0° |
| C05 | C06 | C07 | H5 | 180.0° | 180.0° |
| C06 | C05 | C10 | H1 | 178.7° | 180.0° |
| C05 | C06 | C07 | H6 | 179.7° | 180.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H4 | 120.0° | 120.0° |
| O02 | C01 | H3 | H4 | 120.0° | 120.0° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H5 | C06 | C07 | H6 | 0.3° | 0.1° |
