A1I13
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | N06 | sing | 1.32Å | 1.30Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.37Å | Aromatic |
| C01 | O02 | sing | 1.43Å | 1.38Å | |
| N06 | C07 | doub | 1.33Å | 1.31Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.36Å | |
| C03 | C08 | doub | 1.39Å | 1.36Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.36Å | Aromatic |
| C07 | C09 | sing | 1.48Å | 1.50Å | |
| O11 | C09 | doub | 1.21Å | 1.15Å | |
| C09 | N10 | sing | 1.35Å | 1.41Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| N10 | H7 | sing | 0.97Å | 1.00Å | |
| N10 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C05 | N06 | 122.0° | 121.0° |
| C05 | C04 | C03 | 118.6° | 119.3° |
| C05 | C04 | H4 | 120.7° | 120.4° |
| C04 | C05 | H5 | 119.0° | 119.5° |
| C05 | N06 | C07 | 119.1° | 121.8° |
| N06 | C05 | H5 | 119.0° | 119.5° |
| C04 | C03 | O02 | 122.4° | 120.9° |
| C04 | C03 | C08 | 118.8° | 118.3° |
| C03 | C04 | H4 | 120.7° | 120.3° |
| C01 | O02 | C03 | 116.7° | 117.0° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.4° | 109.5° |
| O02 | C01 | H3 | 109.4° | 109.4° |
| N06 | C07 | C08 | 123.3° | 120.6° |
| N06 | C07 | C09 | 118.0° | 119.7° |
| O02 | C03 | C08 | 118.8° | 120.8° |
| C03 | C08 | C07 | 118.1° | 119.0° |
| C03 | C08 | H6 | 120.9° | 120.5° |
| C08 | C07 | C09 | 118.7° | 119.7° |
| C07 | C08 | H6 | 121.0° | 120.5° |
| C07 | C09 | O11 | 122.3° | 120.0° |
| C07 | C09 | N10 | 116.6° | 120.0° |
| O11 | C09 | N10 | 121.1° | 120.0° |
| C09 | N10 | H7 | 120.0° | 120.0° |
| C09 | N10 | H8 | 120.0° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H7 | N10 | H8 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C05 | N06 | H5 | 180.0° | 179.9° |
| C05 | C04 | C03 | H4 | 180.0° | 180.0° |
| C04 | C05 | N06 | C07 | 2.6° | 0.1° |
| C05 | C04 | C03 | O02 | 178.3° | 180.0° |
| C05 | C04 | C03 | C08 | 0.4° | 0.2° |
| N06 | C05 | C04 | C03 | 1.9° | 0.1° |
| C05 | N06 | C07 | C08 | 1.9° | 0.2° |
| C05 | N06 | C07 | C09 | 179.4° | 180.0° |
| N06 | C05 | C04 | H4 | 178.1° | 179.9° |
| C04 | C03 | O02 | C01 | 1.9° | 0.2° |
| C04 | C03 | O02 | C08 | 178.7° | 179.8° |
| C04 | C03 | C08 | C07 | 0.3° | 0.5° |
| C03 | C04 | C05 | H5 | 178.1° | 180.0° |
| C04 | C03 | C08 | H6 | 179.6° | 179.8° |
| C01 | O02 | C03 | C08 | 176.8° | 180.0° |
| O02 | C01 | H1 | H2 | 120.0° | 120.1° |
| O02 | C01 | H1 | H3 | 120.0° | 119.9° |
| O02 | C01 | H2 | H3 | 120.0° | 119.9° |
| N06 | C07 | C08 | C03 | 0.4° | 0.5° |
| N06 | C07 | C08 | C09 | 178.8° | 179.8° |
| N06 | C07 | C09 | O11 | 15.6° | 180.0° |
| N06 | C07 | C09 | N10 | 164.6° | 0.0° |
| C07 | N06 | C05 | H5 | 177.3° | 180.0° |
| N06 | C07 | C08 | H6 | 179.6° | 179.8° |
| O02 | C03 | C08 | C07 | 179.0° | 179.7° |
| C03 | O02 | C01 | H1 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 60.0° | 59.9° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O02 | C03 | C04 | H4 | 1.7° | 0.0° |
| O02 | C03 | C08 | H6 | 0.9° | 0.0° |
| C03 | C08 | C07 | H6 | 180.0° | 179.7° |
| C03 | C08 | C07 | C09 | 179.1° | 179.7° |
| C08 | C03 | C04 | H4 | 179.6° | 179.8° |
| C08 | C07 | C09 | O11 | 165.5° | 0.2° |
| C08 | C07 | C09 | N10 | 14.2° | 179.7° |
| C07 | C09 | O11 | N10 | 179.8° | 180.0° |
| C09 | C07 | C08 | H6 | 0.9° | 0.0° |
| C07 | C09 | N10 | H7 | 179.8° | 0.0° |
| C07 | C09 | N10 | H8 | 0.2° | 180.0° |
| O11 | C09 | N10 | H7 | 0.0° | 180.0° |
| O11 | C09 | N10 | H8 | 180.0° | 0.1° |
| C09 | N10 | H7 | H8 | 180.0° | 179.9° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C04 | C05 | H5 | 2.0° | 0.0° |






