TEV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.21Å | 1.23Å | |
| C5 | C4 | sing | 1.51Å | 1.49Å | |
| C3 | C4 | sing | 1.52Å | 1.38Å | |
| C3 | C2 | sing | 1.52Å | 1.38Å | |
| C4 | N1 | doub | 1.30Å | 1.35Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C1 | O1 | sing | 1.35Å | 1.22Å | |
| C2 | N2 | doub | 1.30Å | 1.34Å | |
| N1 | C9 | sing | 1.34Å | 1.35Å | |
| N2 | C9 | sing | 1.34Å | 1.36Å | |
| C9 | O3 | doub | 1.22Å | 1.26Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C2 | 123.6° | 120.1° |
| O2 | C1 | O1 | 118.7° | 120.0° |
| C5 | C4 | C3 | 118.9° | 121.3° |
| C5 | C4 | N1 | 121.5° | 121.2° |
| C4 | C5 | H1 | 109.5° | 109.5° |
| C4 | C5 | H2 | 109.5° | 109.5° |
| C4 | C5 | H3 | 109.5° | 109.5° |
| C4 | C3 | C2 | 118.9° | 116.2° |
| C3 | C4 | N1 | 119.6° | 117.5° |
| C4 | C3 | H4 | 107.1° | 108.1° |
| C4 | C3 | H5 | 107.1° | 108.2° |
| C3 | C2 | C1 | 122.1° | 121.3° |
| C3 | C2 | N2 | 121.3° | 117.4° |
| C2 | C3 | H4 | 107.1° | 108.0° |
| C2 | C3 | H5 | 107.1° | 108.3° |
| C4 | N1 | C9 | 119.7° | 122.1° |
| C2 | C1 | O1 | 117.7° | 120.0° |
| C1 | C2 | N2 | 116.6° | 121.3° |
| C1 | O1 | H6 | 109.5° | 117.0° |
| C2 | N2 | C9 | 118.6° | 122.0° |
| N1 | C9 | N2 | 121.9° | 124.9° |
| N1 | C9 | O3 | 119.8° | 117.6° |
| N2 | C9 | O3 | 118.3° | 117.6° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H1 | C5 | H3 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.4° | 107.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C2 | C3 | 76.1° | 0.1° |
| O2 | C1 | C2 | O1 | 177.6° | 179.9° |
| O2 | C1 | C2 | N2 | 104.9° | 179.8° |
| O2 | C1 | O1 | H6 | 0.0° | 0.1° |
| C5 | C4 | C3 | N1 | 178.8° | 180.0° |
| C5 | C4 | C3 | C2 | 178.3° | 179.8° |
| C5 | C4 | N1 | C9 | 176.9° | 180.0° |
| C4 | C5 | H1 | H2 | 120.0° | 120.0° |
| C4 | C5 | H1 | H3 | 120.0° | 120.0° |
| C4 | C5 | H2 | H3 | 120.0° | 119.9° |
| C5 | C4 | C3 | H4 | 57.0° | 58.2° |
| C5 | C4 | C3 | H5 | 60.4° | 58.2° |
| C4 | C3 | C2 | H4 | 121.3° | 121.6° |
| C4 | C3 | C2 | H5 | 121.3° | 121.9° |
| C4 | C3 | C2 | C1 | 179.9° | 180.0° |
| C4 | C3 | C2 | N2 | 0.9° | 0.2° |
| C3 | C4 | N1 | C9 | 1.8° | 0.0° |
| C3 | C4 | C5 | H1 | 178.7° | 180.0° |
| C3 | C4 | C5 | H2 | 61.3° | 59.9° |
| C3 | C4 | C5 | H3 | 58.7° | 60.0° |
| C4 | C3 | H4 | H5 | 115.7° | 116.7° |
| C2 | C3 | C4 | N1 | 0.5° | 0.2° |
| C3 | C2 | C1 | N2 | 179.0° | 179.7° |
| C3 | C2 | C1 | O1 | 106.3° | 180.0° |
| C3 | C2 | N2 | C9 | 0.9° | 0.0° |
| C2 | C3 | H4 | H5 | 115.8° | 116.8° |
| C4 | N1 | C9 | N2 | 1.8° | 0.3° |
| C4 | N1 | C9 | O3 | 176.6° | 180.0° |
| N1 | C4 | C5 | H1 | 0.0° | 0.0° |
| N1 | C4 | C5 | H2 | 120.0° | 120.1° |
| N1 | C4 | C5 | H3 | 120.0° | 120.0° |
| N1 | C4 | C3 | H4 | 121.8° | 121.8° |
| N1 | C4 | C3 | H5 | 120.9° | 121.8° |
| C1 | C2 | N2 | C9 | 179.9° | 179.7° |
| C1 | C2 | C3 | H4 | 58.5° | 58.4° |
| C1 | C2 | C3 | H5 | 58.8° | 58.0° |
| C2 | C1 | O1 | H6 | 177.7° | 180.0° |
| O1 | C1 | C2 | N2 | 72.7° | 0.3° |
| C2 | N2 | C9 | N1 | 0.5° | 0.3° |
| C2 | N2 | C9 | O3 | 178.0° | 180.0° |
| N2 | C2 | C3 | H4 | 120.4° | 121.8° |
| N2 | C2 | C3 | H5 | 122.2° | 121.7° |
| N1 | C9 | N2 | O3 | 178.5° | 179.7° |
| H1 | C5 | H2 | H3 | 120.0° | 120.0° |
