XVC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | N2 | doub | 1.12Å | 1.21Å | |
| N2 | N1 | doub | 1.12Å | 1.21Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.40Å | |
| N1 | C6 | sing | 1.46Å | 1.45Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.40Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.40Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C1 | HC1 | sing | 1.09Å | 1.10Å | |
| C2 | HC2 | sing | 1.09Å | 1.10Å | |
| C3 | HC3 | sing | 1.09Å | 1.10Å | |
| C4 | HC4 | sing | 1.09Å | 1.10Å | |
| C5 | HC5 | sing | 1.09Å | 1.10Å | |
| C6 | HC62 | sing | 1.09Å | 1.10Å | |
| C6 | HC61 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | N2 | N1 | 178.1° | 180.0° |
| N2 | N1 | C6 | 176.2° | 120.0° |
| C2 | C1 | O5 | 110.6° | 109.4° |
| C1 | C2 | O2 | 110.9° | 109.5° |
| C1 | C2 | C3 | 110.2° | 109.2° |
| C2 | C1 | O1 | 110.9° | 109.5° |
| C2 | C1 | HC1 | 108.2° | 109.5° |
| C1 | C2 | HC2 | 108.6° | 109.5° |
| C1 | O5 | C5 | 115.3° | 114.0° |
| O5 | C1 | O1 | 107.2° | 109.5° |
| O5 | C1 | HC1 | 110.0° | 109.4° |
| N1 | C6 | C5 | 109.4° | 109.5° |
| N1 | C6 | HC62 | 109.5° | 109.5° |
| N1 | C6 | HC61 | 109.5° | 109.5° |
| C6 | C5 | O5 | 110.0° | 109.5° |
| C6 | C5 | C4 | 109.8° | 109.5° |
| C6 | C5 | HC5 | 108.2° | 109.5° |
| C5 | C6 | HC62 | 109.5° | 109.5° |
| C5 | C6 | HC61 | 109.5° | 109.5° |
| O2 | C2 | C3 | 107.8° | 109.5° |
| O2 | C2 | HC2 | 110.5° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C2 | C3 | C4 | 110.2° | 109.0° |
| C2 | C3 | O3 | 108.8° | 109.6° |
| C3 | C2 | HC2 | 108.8° | 109.6° |
| C2 | C3 | HC3 | 108.9° | 109.5° |
| O5 | C5 | C4 | 110.7° | 109.4° |
| O5 | C5 | HC5 | 109.9° | 109.5° |
| C5 | C4 | C3 | 110.7° | 109.2° |
| C5 | C4 | O4 | 108.7° | 109.5° |
| C5 | C4 | HC4 | 109.0° | 109.6° |
| C4 | C5 | HC5 | 108.2° | 109.5° |
| C3 | C4 | O4 | 108.7° | 109.5° |
| C4 | C3 | O3 | 109.5° | 109.6° |
| C4 | C3 | HC3 | 108.8° | 109.6° |
| C3 | C4 | HC4 | 109.0° | 109.5° |
| O4 | C4 | HC4 | 110.8° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O3 | C3 | HC3 | 110.6° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O1 | C1 | HC1 | 110.0° | 109.5° |
| C1 | O1 | H2 | 109.5° | 114.0° |
| HC62 | C6 | HC61 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | N2 | N1 | C6 | 170.0° | 83.5° |
| N2 | N1 | C6 | C5 | 87.2° | 120.0° |
| N2 | N1 | C6 | HC62 | 32.8° | 0.0° |
| N2 | N1 | C6 | HC61 | 152.8° | 119.9° |
| C2 | C1 | O5 | O1 | 121.0° | 120.1° |
| C2 | C1 | O5 | HC1 | 119.4° | 119.9° |
| C1 | C2 | O2 | C3 | 120.7° | 119.7° |
| C1 | C2 | O2 | HC2 | 120.5° | 120.1° |
| C1 | C2 | C3 | HC2 | 119.0° | 119.9° |
| C2 | C1 | O5 | C5 | 67.2° | 61.2° |
| C1 | C2 | C3 | C4 | 40.1° | 57.0° |
| C1 | C2 | C3 | O3 | 160.2° | 176.9° |
| C2 | C1 | O1 | HC1 | 119.6° | 120.0° |
| C1 | C2 | C3 | HC3 | 79.2° | 63.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C2 | C1 | O1 | H2 | 180.0° | 180.0° |
| C1 | O5 | C5 | C6 | 74.1° | 178.8° |
| O5 | C1 | C2 | O2 | 101.3° | 177.5° |
| O5 | C1 | C2 | C3 | 18.0° | 57.6° |
| C1 | O5 | C5 | C4 | 47.4° | 61.2° |
| O5 | C1 | O1 | HC1 | 119.5° | 120.0° |
| O5 | C1 | C2 | HC2 | 137.1° | 62.3° |
| C1 | O5 | C5 | HC5 | 166.9° | 58.8° |
| O5 | C1 | O1 | H2 | 59.1° | 60.0° |
| N1 | C6 | C5 | HC62 | 120.0° | 120.1° |
| N1 | C6 | C5 | HC61 | 120.0° | 120.0° |
| N1 | C6 | C5 | O5 | 45.3° | 65.0° |
| N1 | C6 | C5 | C4 | 167.3° | 175.0° |
| N1 | C6 | C5 | HC5 | 74.8° | 55.0° |
| N1 | C6 | HC62 | HC61 | 120.1° | 120.0° |
| C6 | C5 | O5 | C4 | 121.5° | 120.0° |
| C6 | C5 | O5 | HC5 | 119.0° | 120.0° |
| C6 | C5 | C4 | HC5 | 117.8° | 120.0° |
| C6 | C5 | C4 | C3 | 137.8° | 177.6° |
| C6 | C5 | C4 | O4 | 102.9° | 62.5° |
| C6 | C5 | C4 | HC4 | 17.9° | 57.6° |
| C5 | C6 | HC62 | HC61 | 120.0° | 119.9° |
| O2 | C2 | C3 | HC2 | 119.9° | 120.2° |
| O2 | C2 | C3 | C4 | 161.2° | 176.8° |
| O2 | C2 | C3 | O3 | 78.7° | 63.3° |
| O2 | C2 | C1 | O1 | 17.5° | 57.5° |
| O2 | C2 | C1 | HC1 | 138.2° | 62.5° |
| O2 | C2 | C3 | HC3 | 41.9° | 56.9° |
| C2 | C3 | C4 | C5 | 58.8° | 57.0° |
| C2 | C3 | C4 | O3 | 119.6° | 119.9° |
| C2 | C3 | C4 | HC3 | 119.3° | 119.9° |
| C2 | C3 | C4 | O4 | 178.1° | 176.9° |
| C2 | C3 | O3 | HC3 | 119.5° | 120.2° |
| C3 | C2 | C1 | O1 | 136.8° | 62.4° |
| C3 | C2 | C1 | HC1 | 102.5° | 177.6° |
| C2 | C3 | C4 | HC4 | 61.0° | 63.0° |
| C3 | C2 | O2 | HO2 | 59.2° | 179.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| O5 | C5 | C4 | HC5 | 120.5° | 120.0° |
| O5 | C5 | C4 | C3 | 16.1° | 57.6° |
| O5 | C5 | C4 | O4 | 135.4° | 177.6° |
| C5 | O5 | C1 | O1 | 171.8° | 58.9° |
| C5 | O5 | C1 | HC1 | 52.2° | 178.9° |
| O5 | C5 | C4 | HC4 | 103.7° | 62.3° |
| O5 | C5 | C6 | HC62 | 74.7° | 174.9° |
| O5 | C5 | C6 | HC61 | 165.3° | 55.0° |
| C5 | C4 | C3 | O4 | 119.3° | 119.9° |
| C5 | C4 | C3 | HC4 | 119.8° | 120.0° |
| C5 | C4 | O4 | HC4 | 119.7° | 120.1° |
| C5 | C4 | C3 | O3 | 178.5° | 176.9° |
| C5 | C4 | C3 | HC3 | 60.5° | 62.9° |
| C4 | C5 | C6 | HC62 | 47.4° | 54.9° |
| C4 | C5 | C6 | HC61 | 72.7° | 65.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 179.7° |
| C3 | C4 | O4 | HC4 | 119.8° | 120.1° |
| C4 | C3 | O3 | HC3 | 119.9° | 120.3° |
| C4 | C3 | C2 | HC2 | 78.9° | 63.0° |
| C3 | C4 | C5 | HC5 | 104.4° | 62.4° |
| C4 | C3 | O3 | HO3 | 59.5° | 179.5° |
| C3 | C4 | O4 | HO4 | 59.5° | 60.0° |
| O4 | C4 | C3 | O3 | 62.2° | 63.2° |
| O4 | C4 | C3 | HC3 | 58.8° | 57.0° |
| O4 | C4 | C5 | HC5 | 14.9° | 57.5° |
| O3 | C3 | C2 | HC2 | 41.2° | 56.9° |
| O3 | C3 | C4 | HC4 | 58.6° | 56.9° |
| O1 | C1 | C2 | HC2 | 104.1° | 177.6° |
| HC1 | C1 | C2 | HC2 | 16.6° | 57.6° |
| HC1 | C1 | O1 | H2 | 60.4° | 59.9° |
| HC2 | C2 | C3 | HC3 | 161.8° | 177.1° |
| HC2 | C2 | O2 | HO2 | 59.5° | 60.0° |
| HC3 | C3 | C4 | HC4 | 179.7° | 177.1° |
| HC3 | C3 | O3 | HO3 | 60.5° | 60.2° |
| HC4 | C4 | C5 | HC5 | 135.7° | 177.6° |
| HC4 | C4 | O4 | HO4 | 60.3° | 60.2° |
| HC5 | C5 | C6 | HC62 | 165.2° | 65.1° |
| HC5 | C5 | C6 | HC61 | 45.1° | 175.0° |
