A1I2D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | N09 | sing | 1.34Å | 1.27Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| N09 | N10 | sing | 1.29Å | 1.33Å | Aromatic |
| C07 | C11 | sing | 1.41Å | 1.36Å | Aromatic |
| C07 | C06 | sing | 1.47Å | 1.36Å | Aromatic |
| C11 | C12 | doub | 1.35Å | 1.35Å | Aromatic |
| N10 | C06 | doub | 1.32Å | 1.32Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | C04 | sing | 1.41Å | 1.36Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.56Å | |
| N01 | C02 | sing | 1.35Å | 1.44Å | |
| C02 | O03 | doub | 1.22Å | 1.24Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| N09 | H5 | sing | 0.97Å | 1.00Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N09 | C08 | C07 | 104.9° | 106.9° |
| C08 | N09 | N10 | 110.2° | 112.1° |
| N09 | C08 | H4 | 127.5° | 126.5° |
| C08 | N09 | H5 | 124.9° | 124.0° |
| C08 | C07 | C11 | 132.0° | 136.2° |
| C08 | C07 | C06 | 110.2° | 104.4° |
| C07 | C08 | H4 | 127.5° | 126.5° |
| N09 | N10 | C06 | 111.9° | 110.8° |
| N10 | N09 | H5 | 124.9° | 124.0° |
| C11 | C07 | C06 | 117.8° | 119.3° |
| C07 | C11 | C12 | 120.0° | 119.8° |
| C07 | C11 | H6 | 120.0° | 120.1° |
| C07 | C06 | N10 | 102.7° | 105.8° |
| C07 | C06 | C05 | 121.9° | 118.6° |
| C11 | C12 | C04 | 124.9° | 121.6° |
| C12 | C11 | H6 | 120.0° | 120.1° |
| C11 | C12 | H7 | 117.6° | 119.2° |
| N10 | C06 | C05 | 135.4° | 135.6° |
| C06 | C05 | C04 | 119.1° | 119.3° |
| C06 | C05 | H3 | 120.4° | 120.3° |
| C12 | C04 | C05 | 116.2° | 121.4° |
| C12 | C04 | C02 | 112.2° | 119.3° |
| C04 | C12 | H7 | 117.5° | 119.2° |
| C05 | C04 | C02 | 131.6° | 119.3° |
| C04 | C05 | H3 | 120.4° | 120.3° |
| C04 | C02 | N01 | 115.9° | 120.0° |
| C04 | C02 | O03 | 132.4° | 120.0° |
| N01 | C02 | O03 | 111.7° | 120.0° |
| C02 | N01 | H1 | 120.0° | 120.0° |
| C02 | N01 | H2 | 120.0° | 120.0° |
| H1 | N01 | H2 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N09 | C08 | C07 | H4 | 180.0° | 179.9° |
| C08 | N09 | N10 | H5 | 180.0° | 179.8° |
| N09 | C08 | C07 | C11 | 179.4° | 180.0° |
| N09 | C08 | C07 | C06 | 0.5° | 0.2° |
| C08 | N09 | N10 | C06 | 0.8° | 0.1° |
| C07 | C08 | N09 | N10 | 0.7° | 0.2° |
| C08 | C07 | C11 | C06 | 179.9° | 179.9° |
| C08 | C07 | C11 | C12 | 179.5° | 179.9° |
| C08 | C07 | C06 | N10 | 0.0° | 0.1° |
| C08 | C07 | C06 | C05 | 179.6° | 179.8° |
| C07 | C08 | N09 | H5 | 179.3° | 180.0° |
| C08 | C07 | C11 | H6 | 0.5° | 0.1° |
| N09 | N10 | C06 | C07 | 0.4° | 0.0° |
| N09 | N10 | C06 | C05 | 180.0° | 179.9° |
| N10 | N09 | C08 | H4 | 179.3° | 180.0° |
| C07 | C11 | C12 | H6 | 180.0° | 179.8° |
| C11 | C07 | C06 | N10 | 179.9° | 180.0° |
| C11 | C07 | C06 | C05 | 0.5° | 0.1° |
| C07 | C11 | C12 | C04 | 0.2° | 0.5° |
| C11 | C07 | C08 | H4 | 0.6° | 0.1° |
| C07 | C11 | C12 | H7 | 179.8° | 179.9° |
| C06 | C07 | C11 | C12 | 0.6° | 0.2° |
| C07 | C06 | N10 | C05 | 179.5° | 179.9° |
| C07 | C06 | C05 | C04 | 0.0° | 0.0° |
| C07 | C06 | C05 | H3 | 180.0° | 180.0° |
| C06 | C07 | C08 | H4 | 179.5° | 180.0° |
| C06 | C07 | C11 | H6 | 179.4° | 180.0° |
| C11 | C12 | C04 | H7 | 180.0° | 179.4° |
| C11 | C12 | C04 | C05 | 0.3° | 0.6° |
| C11 | C12 | C04 | C02 | 178.9° | 179.7° |
| N10 | C06 | C05 | C04 | 179.5° | 179.9° |
| N10 | C06 | C05 | H3 | 0.5° | 0.1° |
| C06 | N10 | N09 | H5 | 179.2° | 179.9° |
| C06 | C05 | C04 | C12 | 0.4° | 0.3° |
| C06 | C05 | C04 | H3 | 180.0° | 180.0° |
| C06 | C05 | C04 | C02 | 178.7° | 180.0° |
| C12 | C04 | C05 | C02 | 178.3° | 179.7° |
| C12 | C04 | C02 | N01 | 19.3° | 0.3° |
| C12 | C04 | C02 | O03 | 159.8° | 179.7° |
| C12 | C04 | C05 | H3 | 179.6° | 179.7° |
| C04 | C12 | C11 | H6 | 179.8° | 179.6° |
| C05 | C04 | C02 | N01 | 159.1° | 180.0° |
| C05 | C04 | C02 | O03 | 21.9° | 0.0° |
| C05 | C04 | C12 | H7 | 179.7° | 180.0° |
| C04 | C02 | N01 | O03 | 179.2° | 179.9° |
| C04 | C02 | N01 | H1 | 179.3° | 180.0° |
| C04 | C02 | N01 | H2 | 0.8° | 0.3° |
| C02 | C04 | C05 | H3 | 1.3° | 0.0° |
| C02 | C04 | C12 | H7 | 1.1° | 0.3° |
| C02 | N01 | H1 | H2 | 179.9° | 179.7° |
| O03 | C02 | N01 | H1 | 0.0° | 0.1° |
| O03 | C02 | N01 | H2 | 180.0° | 179.7° |
| H4 | C08 | N09 | H5 | 0.7° | 0.1° |
| H6 | C11 | C12 | H7 | 0.2° | 0.2° |
