A1IGD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | I01 | sing | 2.09Å | 2.02Å | |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| O07 | N06 | sing | 1.22Å | 1.25Å | |
| O08 | N06 | doub | 1.22Å | 1.19Å | |
| N06 | C05 | sing | 1.48Å | 1.49Å | |
| C09 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
| N11 | C10 | sing | 1.48Å | 1.49Å | |
| O12 | N11 | sing | 1.22Å | 1.24Å | |
| O13 | N11 | doub | 1.22Å | 1.20Å | |
| C02 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| I01 | C02 | C03 | 117.1° | 120.0° |
| I01 | C02 | C10 | 122.9° | 120.0° |
| C02 | C03 | C04 | 120.5° | 120.0° |
| C03 | C02 | C10 | 119.9° | 119.9° |
| C02 | C03 | H031 | 119.8° | 120.0° |
| C03 | C04 | C05 | 119.2° | 120.0° |
| C04 | C03 | H031 | 119.7° | 120.0° |
| C03 | C04 | H041 | 120.4° | 119.9° |
| C04 | C05 | N06 | 119.7° | 120.0° |
| C04 | C05 | C09 | 120.7° | 120.0° |
| C05 | C04 | H041 | 120.4° | 120.1° |
| O07 | N06 | O08 | 120.4° | 120.0° |
| O07 | N06 | C05 | 117.5° | 120.0° |
| O08 | N06 | C05 | 122.1° | 120.0° |
| N06 | C05 | C09 | 119.6° | 120.0° |
| C05 | C09 | C10 | 119.5° | 120.0° |
| C05 | C09 | H091 | 120.3° | 120.0° |
| C09 | C10 | N11 | 118.7° | 120.0° |
| C09 | C10 | C02 | 120.2° | 120.0° |
| C10 | C09 | H091 | 120.2° | 120.0° |
| C10 | N11 | O12 | 118.3° | 120.0° |
| C10 | N11 | O13 | 122.4° | 120.0° |
| N11 | C10 | C02 | 121.1° | 120.0° |
| O12 | N11 | O13 | 119.2° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| I01 | C02 | C03 | C10 | 179.7° | 180.0° |
| I01 | C02 | C03 | C04 | 179.8° | 180.0° |
| I01 | C02 | C10 | C09 | 179.8° | 180.0° |
| I01 | C02 | C10 | N11 | 0.2° | 0.3° |
| I01 | C02 | C03 | H031 | 0.2° | 0.1° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.1° | 0.1° |
| C03 | C02 | C10 | C09 | 0.1° | 0.0° |
| C03 | C02 | C10 | N11 | 179.9° | 179.7° |
| C02 | C03 | C04 | H041 | 179.9° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | N06 | 179.7° | 180.0° |
| C03 | C04 | C05 | C09 | 0.4° | 0.1° |
| C04 | C03 | C02 | C10 | 0.1° | 0.0° |
| C04 | C05 | N06 | O07 | 151.3° | 0.0° |
| C04 | C05 | N06 | O08 | 28.4° | 179.9° |
| C04 | C05 | N06 | C09 | 179.3° | 180.0° |
| C04 | C05 | C09 | C10 | 0.4° | 0.0° |
| C05 | C04 | C03 | H031 | 179.9° | 180.0° |
| C04 | C05 | C09 | H091 | 179.6° | 180.0° |
| O07 | N06 | O08 | C05 | 179.7° | 179.9° |
| O07 | N06 | C05 | C09 | 28.0° | 180.0° |
| O08 | N06 | C05 | C09 | 152.3° | 0.0° |
| N06 | C05 | C09 | C10 | 179.8° | 180.0° |
| N06 | C05 | C04 | H041 | 0.3° | 0.0° |
| N06 | C05 | C09 | H091 | 0.3° | 0.0° |
| C05 | C09 | C10 | H091 | 180.0° | 180.0° |
| C05 | C09 | C10 | N11 | 179.9° | 179.7° |
| C05 | C09 | C10 | C02 | 0.2° | 0.0° |
| C09 | C05 | C04 | H041 | 179.6° | 180.0° |
| C09 | C10 | N11 | C02 | 180.0° | 179.7° |
| C09 | C10 | N11 | O12 | 124.3° | 0.1° |
| C09 | C10 | N11 | O13 | 55.6° | 180.0° |
| C10 | N11 | O12 | O13 | 179.9° | 179.9° |
| N11 | C10 | C09 | H091 | 0.1° | 0.3° |
| O12 | N11 | C10 | C02 | 55.8° | 179.7° |
| O13 | N11 | C10 | C02 | 124.4° | 0.3° |
| C10 | C02 | C03 | H031 | 179.9° | 179.9° |
| C02 | C10 | C09 | H091 | 179.8° | 180.0° |
| H031 | C03 | C04 | H041 | 0.1° | 0.1° |
