O2A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.35Å | 1.33Å | |
| O1 | C2 | doub | 1.22Å | 1.23Å | |
| C2 | C3 | sing | 1.48Å | 1.50Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | N2 | sing | 1.37Å | 1.36Å | Aromatic |
| C10 | C7 | doub | 1.41Å | 1.40Å | Aromatic |
| N2 | C9 | sing | 1.37Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.47Å | 1.42Å | Aromatic |
| C9 | C8 | doub | 1.34Å | 1.36Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 123.0° | 120.0° |
| C1 | N1 | H1 | 118.5° | 119.9° |
| N1 | C1 | H6 | 109.5° | 109.5° |
| N1 | C1 | H7 | 109.4° | 109.5° |
| N1 | C1 | H8 | 109.5° | 109.5° |
| N1 | C2 | O1 | 120.3° | 120.1° |
| N1 | C2 | C3 | 119.0° | 119.9° |
| C2 | N1 | H1 | 118.5° | 120.1° |
| O1 | C2 | C3 | 120.3° | 120.0° |
| C2 | C3 | C4 | 122.5° | 120.2° |
| C2 | C3 | C10 | 122.1° | 120.2° |
| C3 | C4 | C5 | 122.5° | 120.5° |
| C4 | C3 | C10 | 115.3° | 119.6° |
| C3 | C4 | H2 | 118.8° | 119.8° |
| C4 | C5 | C6 | 121.5° | 120.6° |
| C5 | C4 | H2 | 118.8° | 119.7° |
| C4 | C5 | H3 | 119.3° | 119.7° |
| C3 | C10 | N2 | 129.8° | 133.4° |
| C3 | C10 | C7 | 122.7° | 119.3° |
| C5 | C6 | C7 | 118.4° | 120.0° |
| C6 | C5 | H3 | 119.3° | 119.7° |
| C5 | C6 | H4 | 120.8° | 120.0° |
| N2 | C10 | C7 | 107.5° | 107.3° |
| C10 | N2 | C9 | 109.3° | 110.0° |
| C10 | N2 | H10 | 125.4° | 125.0° |
| C10 | C7 | C6 | 119.7° | 120.0° |
| C10 | C7 | C8 | 106.7° | 106.0° |
| N2 | C9 | C8 | 109.6° | 109.9° |
| N2 | C9 | H9 | 125.2° | 125.1° |
| C9 | N2 | H10 | 125.4° | 125.0° |
| C6 | C7 | C8 | 133.6° | 134.0° |
| C7 | C6 | H4 | 120.8° | 120.0° |
| C7 | C8 | C9 | 106.9° | 106.9° |
| C7 | C8 | H5 | 126.6° | 126.5° |
| C9 | C8 | H5 | 126.5° | 126.6° |
| C8 | C9 | H9 | 125.2° | 125.0° |
| H6 | C1 | H7 | 109.5° | 109.4° |
| H6 | C1 | H8 | 109.4° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | O1 | 2.9° | 0.3° |
| C1 | N1 | C2 | C3 | 170.0° | 179.8° |
| N1 | C1 | H6 | H7 | 120.0° | 120.0° |
| N1 | C1 | H6 | H8 | 120.0° | 120.0° |
| N1 | C1 | H7 | H8 | 120.0° | 120.0° |
| N1 | C2 | O1 | C3 | 172.8° | 180.0° |
| N1 | C2 | C3 | C4 | 7.3° | 0.1° |
| N1 | C2 | C3 | C10 | 177.0° | 180.0° |
| C2 | N1 | C1 | H6 | 180.0° | 180.0° |
| C2 | N1 | C1 | H7 | 60.0° | 60.0° |
| C2 | N1 | C1 | H8 | 60.0° | 60.0° |
| O1 | C2 | C3 | C4 | 165.5° | 180.0° |
| O1 | C2 | C3 | C10 | 10.2° | 0.0° |
| O1 | C2 | N1 | H1 | 177.1° | 180.0° |
| C2 | C3 | C4 | C10 | 176.0° | 179.9° |
| C2 | C3 | C4 | C5 | 177.0° | 180.0° |
| C2 | C3 | C10 | N2 | 3.4° | 0.1° |
| C2 | C3 | C10 | C7 | 176.7° | 180.0° |
| C3 | C2 | N1 | H1 | 10.0° | 0.0° |
| C2 | C3 | C4 | H2 | 3.0° | 0.4° |
| C3 | C4 | C5 | H2 | 180.0° | 179.6° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C4 | C3 | C10 | N2 | 179.4° | 180.0° |
| C4 | C3 | C10 | C7 | 0.7° | 0.0° |
| C3 | C4 | C5 | H3 | 179.4° | 180.0° |
| C5 | C4 | C3 | C10 | 1.1° | 0.1° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C4 | C5 | C6 | H4 | 179.8° | 179.9° |
| C3 | C10 | N2 | C7 | 179.8° | 180.0° |
| C3 | C10 | N2 | C9 | 179.2° | 179.9° |
| C3 | C10 | C7 | C6 | 0.0° | 0.0° |
| C3 | C10 | C7 | C8 | 179.9° | 180.0° |
| C10 | C3 | C4 | H2 | 179.0° | 179.7° |
| C3 | C10 | N2 | H10 | 0.8° | 0.0° |
| C5 | C6 | C7 | C10 | 0.5° | 0.0° |
| C5 | C6 | C7 | H4 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 179.7° | 180.0° |
| C6 | C5 | C4 | H2 | 179.4° | 179.7° |
| C10 | N2 | C9 | H10 | 180.0° | 179.9° |
| N2 | C10 | C7 | C6 | 179.9° | 180.0° |
| N2 | C10 | C7 | C8 | 0.0° | 0.0° |
| C10 | N2 | C9 | C8 | 1.1° | 0.0° |
| C10 | N2 | C9 | H9 | 178.9° | 179.9° |
| C7 | C10 | N2 | C9 | 0.6° | 0.0° |
| C10 | C7 | C6 | C8 | 179.9° | 180.0° |
| C10 | C7 | C8 | C9 | 0.7° | 0.0° |
| C10 | C7 | C6 | H4 | 179.5° | 180.0° |
| C10 | C7 | C8 | H5 | 179.3° | 180.0° |
| C7 | C10 | N2 | H10 | 179.4° | 180.0° |
| N2 | C9 | C8 | C7 | 1.1° | 0.0° |
| N2 | C9 | C8 | H9 | 180.0° | 179.9° |
| N2 | C9 | C8 | H5 | 178.9° | 180.0° |
| C6 | C7 | C8 | C9 | 179.2° | 180.0° |
| C7 | C6 | C5 | H3 | 179.8° | 180.0° |
| C6 | C7 | C8 | H5 | 0.8° | 0.1° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | H4 | 0.3° | 0.1° |
| C7 | C8 | C9 | H9 | 178.9° | 179.9° |
| C8 | C9 | N2 | H10 | 178.9° | 180.0° |
| H1 | N1 | C1 | H6 | 0.0° | 0.2° |
| H1 | N1 | C1 | H7 | 120.0° | 119.7° |
| H1 | N1 | C1 | H8 | 120.0° | 120.3° |
| H2 | C4 | C5 | H3 | 0.6° | 0.3° |
| H3 | C5 | C6 | H4 | 0.2° | 0.0° |
| H5 | C8 | C9 | H9 | 1.1° | 0.1° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
| H9 | C9 | N2 | H10 | 1.1° | 0.1° |
