6R3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.34Å | 1.34Å | |
| C4 | C5 | doub | 1.33Å | 1.32Å | |
| C4 | C3 | sing | 1.47Å | 1.36Å | |
| C2 | C3 | sing | 1.47Å | 1.35Å | |
| C2 | N6 | sing | 1.40Å | 1.34Å | |
| C3 | O7 | doub | 1.22Å | 1.23Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| N6 | H7 | sing | 0.97Å | 1.00Å | |
| N6 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 127.3° | 120.0° |
| C1 | C2 | N6 | 118.1° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | 120.0° | 120.0° |
| C5 | C4 | C3 | 121.0° | 120.0° |
| C5 | C4 | H4 | 119.5° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C4 | C5 | H6 | 120.0° | 120.0° |
| C4 | C3 | C2 | 124.5° | 120.1° |
| C4 | C3 | O7 | 119.0° | 120.0° |
| C3 | C4 | H4 | 119.5° | 120.0° |
| C3 | C2 | N6 | 114.6° | 120.0° |
| C2 | C3 | O7 | 116.5° | 120.0° |
| C2 | N6 | H7 | 109.5° | 120.0° |
| C2 | N6 | H8 | 109.5° | 120.0° |
| H1 | C1 | H2 | 120.0° | 120.0° |
| H5 | C5 | H6 | 120.0° | 120.0° |
| H7 | N6 | H8 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C1 | C2 | C3 | N6 | 179.1° | 180.0° |
| C1 | C2 | C3 | O7 | 179.9° | 180.0° |
| C2 | C1 | H1 | H2 | 180.0° | 179.8° |
| C1 | C2 | N6 | H7 | 180.0° | 0.0° |
| C1 | C2 | N6 | H8 | 60.0° | 180.0° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 179.8° | 180.0° |
| C5 | C4 | C3 | O7 | 0.4° | 0.0° |
| C4 | C5 | H5 | H6 | 180.0° | 180.0° |
| C4 | C3 | C2 | O7 | 179.3° | 180.0° |
| C4 | C3 | C2 | N6 | 178.5° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 0.0° |
| C3 | C4 | C5 | H6 | 0.0° | 180.0° |
| C3 | C2 | C1 | H1 | 179.0° | 180.0° |
| C3 | C2 | C1 | H2 | 1.0° | 0.2° |
| C2 | C3 | C4 | H4 | 0.2° | 0.0° |
| C3 | C2 | N6 | H7 | 0.9° | 180.0° |
| C3 | C2 | N6 | H8 | 119.2° | 0.0° |
| N6 | C2 | C3 | O7 | 0.9° | 0.0° |
| N6 | C2 | C1 | H1 | 0.0° | 0.0° |
| N6 | C2 | C1 | H2 | 180.0° | 179.8° |
| C2 | N6 | H7 | H8 | 120.0° | 180.0° |
| O7 | C3 | C4 | H4 | 179.6° | 180.0° |
| H4 | C4 | C5 | H5 | 0.0° | 180.0° |
| H4 | C4 | C5 | H6 | 180.0° | 0.0° |
