A1CGO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.50Å | |
| N04 | C02 | sing | 1.35Å | 1.36Å | |
| N04 | C05 | sing | 1.40Å | 1.41Å | |
| C02 | O03 | doub | 1.21Å | 1.26Å | |
| N11 | C10 | sing | 1.39Å | 1.41Å | |
| C05 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N09 | sing | 1.32Å | 1.35Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| N09 | C08 | doub | 1.32Å | 1.35Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| 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 | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| N04 | H7 | sing | 0.97Å | 1.00Å | |
| N11 | H8 | sing | 0.97Å | 1.00Å | |
| N11 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N04 | 123.9° | 120.0° |
| C01 | C02 | O03 | 118.4° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C02 | N04 | C05 | 124.7° | 120.0° |
| N04 | C02 | O03 | 117.7° | 120.0° |
| C02 | N04 | H7 | 117.6° | 120.0° |
| N04 | C05 | C10 | 121.3° | 120.5° |
| N04 | C05 | C06 | 121.6° | 120.5° |
| C05 | N04 | H7 | 117.7° | 120.0° |
| N11 | C10 | C05 | 121.5° | 119.8° |
| N11 | C10 | N09 | 115.8° | 119.7° |
| C10 | N11 | H8 | 109.5° | 120.0° |
| C10 | N11 | H9 | 109.5° | 120.0° |
| C10 | C05 | C06 | 117.1° | 119.0° |
| C05 | C10 | N09 | 122.6° | 120.5° |
| C05 | C06 | C07 | 121.6° | 118.4° |
| C05 | C06 | H4 | 119.2° | 120.8° |
| C10 | N09 | C08 | 119.1° | 121.7° |
| C06 | C07 | C08 | 116.9° | 119.4° |
| C07 | C06 | H4 | 119.2° | 120.8° |
| C06 | C07 | H5 | 121.6° | 120.3° |
| N09 | C08 | C07 | 122.8° | 121.0° |
| N09 | C08 | H6 | 118.6° | 119.5° |
| C08 | C07 | H5 | 121.6° | 120.3° |
| C07 | C08 | H6 | 118.6° | 119.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H8 | N11 | H9 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N04 | O03 | 178.5° | 180.0° |
| C01 | C02 | N04 | C05 | 179.9° | 174.4° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | C02 | N04 | H7 | 0.0° | 5.6° |
| C02 | N04 | C05 | H7 | 180.0° | 180.0° |
| C02 | N04 | C05 | C10 | 130.5° | 155.4° |
| C02 | N04 | C05 | C06 | 49.0° | 24.6° |
| N04 | C02 | C01 | H1 | 178.5° | 180.0° |
| N04 | C02 | C01 | H2 | 58.5° | 60.0° |
| N04 | C02 | C01 | H3 | 61.5° | 60.0° |
| C05 | N04 | C02 | O03 | 1.6° | 5.6° |
| N04 | C05 | C10 | N11 | 0.7° | 0.2° |
| N04 | C05 | C10 | C06 | 179.5° | 179.9° |
| N04 | C05 | C10 | N09 | 179.6° | 180.0° |
| N04 | C05 | C06 | C07 | 179.6° | 180.0° |
| N04 | C05 | C06 | H4 | 0.4° | 0.1° |
| O03 | C02 | C01 | H1 | 0.0° | 0.0° |
| O03 | C02 | C01 | H2 | 120.0° | 120.0° |
| O03 | C02 | C01 | H3 | 120.0° | 120.0° |
| O03 | C02 | N04 | H7 | 178.4° | 174.4° |
| N11 | C10 | C05 | N09 | 179.7° | 179.8° |
| N11 | C10 | C05 | C06 | 179.8° | 179.7° |
| N11 | C10 | N09 | C08 | 179.5° | 179.7° |
| C10 | N11 | H8 | H9 | 120.0° | 179.9° |
| C10 | C05 | C06 | C07 | 0.1° | 0.1° |
| C05 | C10 | N09 | C08 | 0.1° | 0.1° |
| C10 | C05 | C06 | H4 | 179.9° | 180.0° |
| C10 | C05 | N04 | H7 | 49.5° | 24.7° |
| C05 | C10 | N11 | H8 | 179.7° | 179.8° |
| C05 | C10 | N11 | H9 | 59.7° | 0.2° |
| C06 | C05 | C10 | N09 | 0.1° | 0.1° |
| C05 | C06 | C07 | H4 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.1° | 0.0° |
| C05 | C06 | C07 | H5 | 179.9° | 179.9° |
| C06 | C05 | N04 | H7 | 131.0° | 155.4° |
| C10 | N09 | C08 | C07 | 0.4° | 0.1° |
| C10 | N09 | C08 | H6 | 179.7° | 180.0° |
| N09 | C10 | N11 | H8 | 0.0° | 0.1° |
| N09 | C10 | N11 | H9 | 120.0° | 180.0° |
| C06 | C07 | C08 | N09 | 0.3° | 0.0° |
| C06 | C07 | C08 | H5 | 180.0° | 180.0° |
| C06 | C07 | C08 | H6 | 179.7° | 180.0° |
| N09 | C08 | C07 | H6 | 180.0° | 179.9° |
| N09 | C08 | C07 | H5 | 179.7° | 179.9° |
| C08 | C07 | C06 | H4 | 179.9° | 179.9° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C06 | C07 | H5 | 0.1° | 0.0° |
| H5 | C07 | C08 | H6 | 0.3° | 0.0° |






