3RN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C5 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.46Å | 1.39Å | |
| O2 | C6 | sing | 1.43Å | 1.43Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | doub | 1.32Å | 1.34Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | C2 | sing | 1.51Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | O1 | 124.1° | 126.3° |
| C5 | C1 | C2 | 111.8° | 107.5° |
| C1 | C5 | C4 | 102.4° | 104.1° |
| C1 | C5 | H5 | 111.9° | 110.5° |
| C1 | C5 | H8 | 111.9° | 110.4° |
| O1 | C1 | C2 | 124.1° | 126.2° |
| C1 | C2 | C3 | 109.9° | 112.3° |
| C1 | C2 | C6 | 125.0° | 123.9° |
| C6 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C6 | C2 | 111.0° | 109.5° |
| O2 | C6 | H6 | 109.0° | 109.5° |
| O2 | C6 | H6A | 109.0° | 109.5° |
| C2 | C3 | C4 | 111.4° | 110.5° |
| C2 | C3 | H3 | 124.3° | 124.8° |
| C3 | C2 | C6 | 125.1° | 123.9° |
| C4 | C3 | H3 | 124.3° | 124.7° |
| C3 | C4 | C5 | 104.4° | 105.5° |
| C3 | C4 | H4 | 111.2° | 110.2° |
| C3 | C4 | H7 | 111.2° | 110.3° |
| C5 | C4 | H4 | 111.2° | 110.2° |
| C4 | C5 | H5 | 111.9° | 110.3° |
| C5 | C4 | H7 | 111.2° | 110.3° |
| C4 | C5 | H8 | 111.9° | 110.8° |
| H4 | C4 | H7 | 107.7° | 110.2° |
| H5 | C5 | H8 | 106.9° | 110.6° |
| C2 | C6 | H6 | 109.0° | 109.5° |
| C2 | C6 | H6A | 109.0° | 109.4° |
| H6 | C6 | H6A | 110.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | O1 | C2 | 180.0° | 179.6° |
| C5 | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | C5 | C4 | C3 | 0.0° | 0.0° |
| C1 | C5 | C4 | H5 | 120.0° | 118.5° |
| C1 | C5 | C4 | H8 | 120.0° | 118.7° |
| C1 | C5 | C4 | H4 | 120.0° | 119.0° |
| C1 | C5 | H5 | H8 | 122.9° | 122.6° |
| C5 | C1 | C2 | C6 | 180.0° | 180.0° |
| C1 | C5 | C4 | H7 | 120.1° | 119.1° |
| O1 | C1 | C2 | C3 | 180.0° | 179.7° |
| O1 | C1 | C5 | C4 | 180.0° | 179.7° |
| O1 | C1 | C5 | H5 | 60.0° | 61.3° |
| O1 | C1 | C2 | C6 | 0.0° | 0.4° |
| O1 | C1 | C5 | H8 | 60.0° | 61.4° |
| C1 | C2 | C6 | O2 | 98.2° | 179.9° |
| C1 | C2 | C3 | C6 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C2 | C1 | C5 | C4 | 0.0° | 0.0° |
| C2 | C1 | C5 | H5 | 120.0° | 118.4° |
| C1 | C2 | C6 | H6 | 141.8° | 59.9° |
| C1 | C2 | C6 | H6A | 21.8° | 60.0° |
| C2 | C1 | C5 | H8 | 120.0° | 119.0° |
| O2 | C6 | C2 | C3 | 81.9° | 0.0° |
| O2 | C6 | C2 | H6 | 120.0° | 120.0° |
| O2 | C6 | C2 | H6A | 120.0° | 120.0° |
| O2 | C6 | H6 | H6A | 119.4° | 120.0° |
| HO2 | O2 | C6 | C2 | 180.0° | 180.0° |
| HO2 | O2 | C6 | H6 | 60.0° | 60.0° |
| HO2 | O2 | C6 | H6A | 60.0° | 60.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 119.9° | 119.0° |
| C3 | C2 | C6 | H6 | 38.1° | 120.0° |
| C3 | C2 | C6 | H6A | 158.1° | 120.1° |
| C2 | C3 | C4 | H7 | 120.1° | 119.1° |
| C3 | C4 | C5 | H4 | 120.0° | 119.0° |
| C3 | C4 | C5 | H7 | 120.0° | 119.1° |
| C3 | C4 | H4 | H7 | 122.1° | 122.0° |
| C3 | C4 | C5 | H5 | 119.9° | 118.5° |
| C4 | C3 | C2 | C6 | 180.0° | 180.0° |
| C3 | C4 | C5 | H8 | 120.0° | 118.7° |
| H3 | C3 | C4 | C5 | 180.0° | 179.9° |
| H3 | C3 | C4 | H4 | 60.1° | 60.9° |
| H3 | C3 | C2 | C6 | 0.0° | 0.0° |
| H3 | C3 | C4 | H7 | 59.9° | 61.0° |
| C5 | C4 | H4 | H7 | 122.0° | 121.9° |
| C4 | C5 | H5 | H8 | 122.9° | 122.8° |
| H4 | C4 | C5 | H5 | 120.1° | 122.5° |
| H4 | C4 | C5 | H8 | 0.0° | 0.3° |
| H5 | C5 | C4 | H7 | 0.1° | 0.5° |
| C2 | C6 | H6 | H6A | 119.4° | 119.9° |
| H7 | C4 | C5 | H8 | 119.9° | 122.2° |
