2X7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.44Å | 1.46Å | |
| C4 | C3 | doub | 1.30Å | 1.34Å | |
| C5 | C6 | doub | 1.28Å | 1.33Å | |
| C3 | C2 | sing | 1.47Å | 1.47Å | |
| C6 | O2 | sing | 1.35Å | 1.45Å | |
| C2 | N | doub | 1.28Å | 1.26Å | |
| C2 | C1 | sing | 1.47Å | 1.45Å | |
| O2 | C1 | sing | 1.36Å | 1.44Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 129.5° | 129.5° |
| C4 | C5 | C6 | 128.1° | 132.2° |
| C5 | C4 | H3 | 115.3° | 115.3° |
| C4 | C5 | H4 | 116.0° | 113.9° |
| C4 | C3 | C2 | 127.2° | 122.5° |
| C4 | C3 | H2 | 116.4° | 118.8° |
| C3 | C4 | H3 | 115.2° | 115.2° |
| C5 | C6 | O2 | 126.2° | 127.1° |
| C6 | C5 | H4 | 116.0° | 113.9° |
| C5 | C6 | H5 | 116.9° | 116.5° |
| C3 | C2 | N | 115.6° | 119.5° |
| C3 | C2 | C1 | 124.6° | 120.9° |
| C2 | C3 | H2 | 116.5° | 118.7° |
| C6 | O2 | C1 | 117.9° | 120.0° |
| O2 | C6 | H5 | 116.9° | 116.4° |
| N | C2 | C1 | 119.5° | 119.6° |
| C2 | N | H1 | 112.0° | 120.0° |
| C2 | C1 | O2 | 119.2° | 119.3° |
| C2 | C1 | O1 | 122.1° | 120.3° |
| O2 | C1 | O1 | 118.7° | 120.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.7° | 5.9° |
| C4 | C5 | C6 | O2 | 0.2° | 7.0° |
| C5 | C4 | C3 | H2 | 178.4° | 174.0° |
| C4 | C5 | C6 | H5 | 179.8° | 173.2° |
| C3 | C4 | C5 | C6 | 16.9° | 0.1° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | N | 177.4° | 149.0° |
| C4 | C3 | C2 | C1 | 5.0° | 30.9° |
| C3 | C4 | C5 | H4 | 163.1° | 179.9° |
| C5 | C6 | O2 | H5 | 180.0° | 179.8° |
| C5 | C6 | O2 | C1 | 45.4° | 34.8° |
| C6 | C5 | C4 | H3 | 163.1° | 180.0° |
| C3 | C2 | N | C1 | 172.8° | 180.0° |
| C3 | C2 | C1 | O2 | 41.5° | 63.0° |
| C3 | C2 | C1 | O1 | 141.8° | 117.3° |
| C3 | C2 | N | H1 | 172.9° | 179.9° |
| C2 | C3 | C4 | H3 | 178.3° | 174.2° |
| C6 | O2 | C1 | C2 | 67.3° | 64.1° |
| C6 | O2 | C1 | O1 | 115.9° | 116.2° |
| O2 | C6 | C5 | H4 | 179.8° | 173.0° |
| N | C2 | C1 | O2 | 146.3° | 117.0° |
| N | C2 | C1 | O1 | 30.4° | 62.7° |
| N | C2 | C3 | H2 | 2.6° | 31.0° |
| C2 | C1 | O2 | O1 | 176.8° | 179.7° |
| C1 | C2 | N | H1 | 0.0° | 0.0° |
| C1 | C2 | C3 | H2 | 175.0° | 149.0° |
| C1 | O2 | C6 | H5 | 134.6° | 145.4° |
| H2 | C3 | C4 | H3 | 1.6° | 5.8° |
| H3 | C4 | C5 | H4 | 16.9° | 0.0° |
| H4 | C5 | C6 | H5 | 0.2° | 6.8° |
