A1CXG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.26Å | |
| C1 | O2 | sing | 1.35Å | 1.26Å | |
| C1 | C2 | sing | 1.47Å | 1.49Å | |
| C2 | C3 | doub | 1.36Å | 1.38Å | Aromatic |
| C3 | N1 | sing | 1.36Å | 1.37Å | Aromatic |
| N1 | C4 | sing | 1.36Å | 1.35Å | Aromatic |
| C4 | N2 | doub | 1.30Å | 1.30Å | Aromatic |
| C2 | N2 | sing | 1.36Å | 1.35Å | Aromatic |
| N1 | C5 | sing | 1.40Å | 1.43Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 125.0° | 120.0° |
| O1 | C1 | C2 | 117.8° | 120.0° |
| O2 | C1 | C2 | 117.2° | 120.0° |
| C1 | O2 | H8 | 109.5° | 117.0° |
| C1 | C2 | C3 | 130.6° | 126.2° |
| C1 | C2 | N2 | 119.4° | 126.2° |
| C2 | C3 | N1 | 105.3° | 106.8° |
| C3 | C2 | N2 | 110.0° | 107.6° |
| C2 | C3 | H1 | 127.3° | 126.6° |
| C3 | N1 | C4 | 106.3° | 107.6° |
| C3 | N1 | C5 | 127.3° | 126.2° |
| N1 | C3 | H1 | 127.4° | 126.6° |
| N1 | C4 | N2 | 112.4° | 109.0° |
| C4 | N1 | C5 | 126.4° | 126.2° |
| N1 | C4 | H2 | 123.8° | 125.5° |
| C4 | N2 | C2 | 105.9° | 109.0° |
| N2 | C4 | H2 | 123.8° | 125.5° |
| N1 | C5 | C6 | 119.5° | 120.1° |
| N1 | C5 | C10 | 119.9° | 120.0° |
| C5 | C6 | C7 | 119.3° | 120.0° |
| C6 | C5 | C10 | 120.6° | 119.9° |
| C5 | C6 | H3 | 120.4° | 120.1° |
| C6 | C7 | C8 | 120.6° | 120.0° |
| C7 | C6 | H3 | 120.3° | 120.0° |
| C6 | C7 | H4 | 119.7° | 120.0° |
| C7 | C8 | C9 | 119.6° | 120.1° |
| C8 | C7 | H4 | 119.7° | 120.0° |
| C7 | C8 | H5 | 120.2° | 119.9° |
| C8 | C9 | C10 | 120.7° | 120.1° |
| C9 | C8 | H5 | 120.2° | 120.0° |
| C8 | C9 | H6 | 119.6° | 119.9° |
| C9 | C10 | C5 | 119.2° | 119.9° |
| C9 | C10 | H7 | 120.4° | 120.0° |
| C10 | C9 | H6 | 119.6° | 120.0° |
| C5 | C10 | H7 | 120.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.8° | 179.7° |
| O1 | C1 | C2 | C3 | 10.3° | 0.3° |
| O1 | C1 | C2 | N2 | 169.8° | 180.0° |
| O1 | C1 | O2 | H8 | 0.0° | 0.3° |
| O2 | C1 | C2 | C3 | 169.9° | 180.0° |
| O2 | C1 | C2 | N2 | 10.0° | 0.3° |
| C1 | C2 | C3 | N2 | 179.9° | 179.8° |
| C1 | C2 | C3 | N1 | 179.6° | 180.0° |
| C1 | C2 | N2 | C4 | 179.8° | 179.9° |
| C1 | C2 | C3 | H1 | 0.4° | 0.0° |
| C2 | C1 | O2 | H8 | 179.8° | 180.0° |
| C2 | C3 | N1 | H1 | 180.0° | 179.9° |
| C2 | C3 | N1 | C4 | 0.4° | 0.1° |
| C3 | C2 | N2 | C4 | 0.3° | 0.4° |
| C2 | C3 | N1 | C5 | 179.8° | 180.0° |
| C3 | N1 | C4 | C5 | 179.4° | 179.9° |
| C3 | N1 | C4 | N2 | 0.3° | 0.2° |
| N1 | C3 | C2 | N2 | 0.5° | 0.2° |
| C3 | N1 | C5 | C6 | 128.8° | 179.9° |
| C3 | N1 | C5 | C10 | 52.9° | 0.1° |
| C3 | N1 | C4 | H2 | 179.7° | 179.8° |
| N1 | C4 | N2 | H2 | 180.0° | 179.7° |
| N1 | C4 | N2 | C2 | 0.0° | 0.3° |
| C4 | N1 | C5 | C6 | 51.9° | 0.0° |
| C4 | N1 | C5 | C10 | 126.4° | 180.0° |
| C4 | N1 | C3 | H1 | 179.5° | 180.0° |
| N2 | C4 | N1 | C5 | 179.7° | 179.7° |
| N2 | C2 | C3 | H1 | 179.5° | 179.8° |
| C2 | N2 | C4 | H2 | 180.0° | 180.0° |
| N1 | C5 | C6 | C10 | 178.3° | 180.0° |
| N1 | C5 | C6 | C7 | 179.5° | 180.0° |
| N1 | C5 | C10 | C9 | 179.0° | 179.8° |
| N1 | C5 | C10 | H7 | 1.0° | 0.1° |
| C5 | N1 | C3 | H1 | 0.2° | 0.1° |
| C5 | N1 | C4 | H2 | 0.3° | 0.1° |
| N1 | C5 | C6 | H3 | 0.5° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.0° | 0.0° |
| C6 | C5 | C10 | C9 | 0.7° | 0.2° |
| C6 | C5 | C10 | H7 | 179.3° | 179.9° |
| C5 | C6 | C7 | H4 | 179.0° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.2° |
| C7 | C6 | C5 | C10 | 1.2° | 0.0° |
| C6 | C7 | C8 | H5 | 179.7° | 180.0° |
| C7 | C8 | C9 | H5 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 0.2° | 0.5° |
| C8 | C7 | C6 | H3 | 179.0° | 180.0° |
| C7 | C8 | C9 | H6 | 179.8° | 180.0° |
| C8 | C9 | C10 | H6 | 180.0° | 179.6° |
| C8 | C9 | C10 | C5 | 0.0° | 0.5° |
| C8 | C9 | C10 | H7 | 180.0° | 179.7° |
| C9 | C8 | C7 | H4 | 179.7° | 179.7° |
| C9 | C10 | C5 | H7 | 180.0° | 179.8° |
| C10 | C9 | C8 | H5 | 179.8° | 179.7° |
| C10 | C5 | C6 | H3 | 178.8° | 180.0° |
| C5 | C10 | C9 | H6 | 180.0° | 180.0° |
| H7 | C10 | C9 | H6 | 0.0° | 0.1° |
| H3 | C6 | C7 | H4 | 1.0° | 0.0° |
| H4 | C7 | C8 | H5 | 0.3° | 0.0° |
| H5 | C8 | C9 | H6 | 0.2° | 0.2° |






