J5G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C1 | doub | 1.21Å | 1.23Å | |
| C | C1 | sing | 1.51Å | 1.48Å | |
| C1 | N | sing | 1.35Å | 1.35Å | |
| N | C2 | sing | 1.40Å | 1.36Å | |
| N1 | C2 | doub | 1.31Å | 1.31Å | Aromatic |
| N1 | O1 | sing | 1.21Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.42Å | 1.41Å | Aromatic |
| O1 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.35Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.48Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C1 | C | 122.6° | 120.0° |
| O | C1 | N | 122.4° | 120.0° |
| C | C1 | N | 114.5° | 120.0° |
| C1 | C | H4 | 109.5° | 109.4° |
| C1 | C | H5 | 109.4° | 109.5° |
| C1 | C | H6 | 109.4° | 109.5° |
| C1 | N | C2 | 128.5° | 120.0° |
| C1 | N | H7 | 115.7° | 120.0° |
| N | C2 | N1 | 118.6° | 126.9° |
| N | C2 | C3 | 129.2° | 126.9° |
| C2 | N | H7 | 115.7° | 119.9° |
| C2 | N1 | O1 | 104.7° | 111.5° |
| N1 | C2 | C3 | 112.2° | 106.2° |
| N1 | O1 | C4 | 108.6° | 111.8° |
| C2 | C3 | C4 | 104.7° | 103.9° |
| C2 | C3 | H8 | 127.6° | 128.1° |
| O1 | C4 | C3 | 109.8° | 106.6° |
| O1 | C4 | C5 | 115.8° | 126.7° |
| C3 | C4 | C5 | 134.3° | 126.7° |
| C4 | C3 | H8 | 127.7° | 128.0° |
| C4 | C5 | H1 | 109.5° | 109.5° |
| C4 | C5 | H2 | 109.5° | 109.5° |
| C4 | C5 | H3 | 109.5° | 109.5° |
| H1 | C5 | H2 | 109.5° | 109.4° |
| H1 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.4° | 109.4° |
| H4 | C | H5 | 109.5° | 109.5° |
| H4 | C | H6 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C1 | C | N | 172.4° | 180.0° |
| O | C1 | N | C2 | 4.7° | 0.0° |
| O | C1 | C | H4 | 0.0° | 0.0° |
| O | C1 | C | H5 | 120.0° | 120.0° |
| O | C1 | C | H6 | 120.0° | 120.0° |
| O | C1 | N | H7 | 175.2° | 179.9° |
| C | C1 | N | C2 | 177.2° | 180.0° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H6 | 120.0° | 120.0° |
| C1 | C | H5 | H6 | 120.0° | 120.0° |
| C | C1 | N | H7 | 2.8° | 0.1° |
| C1 | N | C2 | H7 | 180.0° | 179.9° |
| C1 | N | C2 | N1 | 4.0° | 180.0° |
| C1 | N | C2 | C3 | 173.2° | 0.0° |
| N | C1 | C | H4 | 172.4° | 180.0° |
| N | C1 | C | H5 | 52.4° | 60.0° |
| N | C1 | C | H6 | 67.6° | 60.0° |
| N | C2 | N1 | C3 | 177.6° | 180.0° |
| N | C2 | N1 | O1 | 175.3° | 180.0° |
| N | C2 | C3 | C4 | 174.1° | 179.8° |
| N | C2 | C3 | H8 | 5.9° | 0.1° |
| C2 | N1 | O1 | C4 | 0.6° | 0.2° |
| N1 | C2 | C3 | C4 | 3.2° | 0.2° |
| N1 | C2 | N | H7 | 176.0° | 0.1° |
| N1 | C2 | C3 | H8 | 176.7° | 180.0° |
| O1 | N1 | C2 | C3 | 2.3° | 0.0° |
| N1 | O1 | C4 | C3 | 1.5° | 0.3° |
| N1 | O1 | C4 | C5 | 175.5° | 180.0° |
| C2 | C3 | C4 | O1 | 2.7° | 0.3° |
| C2 | C3 | C4 | H8 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 173.5° | 180.0° |
| C3 | C2 | N | H7 | 6.8° | 179.9° |
| O1 | C4 | C3 | C5 | 176.2° | 179.6° |
| O1 | C4 | C5 | H1 | 0.0° | 0.1° |
| O1 | C4 | C5 | H2 | 120.0° | 120.1° |
| O1 | C4 | C5 | H3 | 120.0° | 119.9° |
| O1 | C4 | C3 | H8 | 177.2° | 179.9° |
| C3 | C4 | C5 | H1 | 176.0° | 179.7° |
| C3 | C4 | C5 | H2 | 63.9° | 60.4° |
| C3 | C4 | C5 | H3 | 56.0° | 59.6° |
| C4 | C5 | H1 | H2 | 120.0° | 120.0° |
| C4 | C5 | H1 | H3 | 120.0° | 120.1° |
| C4 | C5 | H2 | H3 | 120.0° | 120.0° |
| C5 | C4 | C3 | H8 | 6.5° | 0.3° |
| H1 | C5 | H2 | H3 | 120.0° | 119.9° |
| H4 | C | H5 | H6 | 120.0° | 120.0° |
