6OD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C4 | sing | 1.38Å | 1.32Å | |
| O2 | C5 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.48Å | 1.41Å | |
| C4 | C3 | doub | 1.36Å | 1.33Å | |
| C5 | O1 | sing | 1.35Å | 1.36Å | |
| C3 | C2 | sing | 1.41Å | 1.46Å | |
| C2 | C1 | doub | 1.36Å | 1.30Å | |
| C1 | C | sing | 1.41Å | 1.43Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C4 | C5 | 119.0° | 120.0° |
| N | C4 | C3 | 117.6° | 120.0° |
| C4 | N | H2 | 109.5° | 120.0° |
| C4 | N | H4 | 109.5° | 120.0° |
| O2 | C5 | C4 | 114.9° | 120.0° |
| O2 | C5 | O1 | 121.2° | 120.0° |
| C5 | C4 | C3 | 122.9° | 120.0° |
| C4 | C5 | O1 | 123.8° | 120.0° |
| C4 | C3 | C2 | 107.2° | 120.0° |
| C4 | C3 | H3 | 126.4° | 120.0° |
| C5 | O1 | H1 | 109.5° | 117.0° |
| C3 | C2 | C1 | 125.6° | 120.0° |
| C2 | C3 | H3 | 126.4° | 120.0° |
| C3 | C2 | H5 | 117.2° | 119.9° |
| C2 | C1 | C | 103.1° | 120.0° |
| C1 | C2 | H5 | 117.2° | 120.0° |
| C2 | C1 | H7 | 128.5° | 120.0° |
| C1 | C | O | 117.3° | 120.0° |
| C | C1 | H7 | 128.5° | 119.9° |
| C1 | C | H9 | 121.4° | 119.9° |
| O | C | H9 | 121.4° | 120.1° |
| H2 | N | H4 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C4 | C5 | O2 | 2.0° | 173.4° |
| N | C4 | C5 | C3 | 172.5° | 179.9° |
| N | C4 | C5 | O1 | 179.5° | 6.9° |
| N | C4 | C3 | C2 | 178.0° | 171.5° |
| C4 | N | H2 | H4 | 120.0° | 179.9° |
| N | C4 | C3 | H3 | 2.0° | 8.5° |
| O2 | C5 | C4 | O1 | 178.5° | 179.7° |
| O2 | C5 | C4 | C3 | 170.5° | 6.7° |
| O2 | C5 | O1 | H1 | 0.0° | 0.0° |
| C5 | C4 | C3 | C2 | 9.4° | 8.4° |
| C4 | C5 | O1 | H1 | 178.5° | 179.7° |
| C5 | C4 | N | H2 | 180.0° | 0.1° |
| C5 | C4 | C3 | H3 | 170.6° | 171.6° |
| C5 | C4 | N | H4 | 60.0° | 180.0° |
| C3 | C4 | C5 | O1 | 8.0° | 173.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 170.5° | 174.5° |
| C3 | C4 | N | H2 | 7.1° | 180.0° |
| C4 | C3 | C2 | H5 | 9.5° | 5.4° |
| C3 | C4 | N | H4 | 127.1° | 0.1° |
| C3 | C2 | C1 | H5 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 178.8° | 180.0° |
| C3 | C2 | C1 | H7 | 1.2° | 0.1° |
| C2 | C1 | C | H7 | 180.0° | 179.9° |
| C2 | C1 | C | O | 7.1° | 180.0° |
| C1 | C2 | C3 | H3 | 9.5° | 5.5° |
| C2 | C1 | C | H9 | 172.9° | 0.1° |
| C1 | C | O | H9 | 180.0° | 179.9° |
| C | C1 | C2 | H5 | 1.2° | 0.0° |
| O | C | C1 | H7 | 172.9° | 0.1° |
| H3 | C3 | C2 | H5 | 170.5° | 174.5° |
| H5 | C2 | C1 | H7 | 178.8° | 179.9° |
| H7 | C1 | C | H9 | 7.1° | 180.0° |
