9VH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C5 | sing | 1.43Å | 1.41Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | O5 | sing | 1.43Å | 1.43Å | |
| C6 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | S1 | sing | 1.81Å | 1.78Å | |
| O3 | S1 | doub | 1.42Å | 1.50Å | |
| O2 | S1 | doub | 1.42Å | 1.42Å | |
| S1 | O1 | sing | 1.52Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H6 | sing | 1.01Å | 1.00Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| O5 | H13 | sing | 0.97Å | 0.95Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C5 | C4 | 110.6° | 109.5° |
| O4 | C5 | C6 | 109.0° | 109.5° |
| O4 | C5 | H10 | 109.3° | 109.6° |
| C5 | O4 | H11 | 109.5° | 114.0° |
| N1 | C4 | C5 | 114.6° | 109.5° |
| C4 | N1 | C3 | 113.0° | 111.2° |
| C4 | N1 | H6 | 108.6° | 111.0° |
| N1 | C4 | H8 | 108.2° | 109.5° |
| N1 | C4 | H9 | 108.2° | 109.5° |
| C4 | C5 | C6 | 112.5° | 109.3° |
| C5 | C4 | H8 | 108.1° | 109.4° |
| C5 | C4 | H9 | 108.2° | 109.5° |
| C4 | C5 | H10 | 107.7° | 109.5° |
| N1 | C3 | C2 | 118.7° | 109.5° |
| N1 | C3 | H4 | 107.1° | 109.5° |
| N1 | C3 | H5 | 107.1° | 109.5° |
| C3 | N1 | H6 | 108.6° | 111.0° |
| C5 | C6 | O5 | 107.8° | 109.6° |
| C5 | C6 | C2 | 111.5° | 109.1° |
| C6 | C5 | H10 | 107.7° | 109.4° |
| C5 | C6 | H12 | 109.1° | 109.5° |
| O5 | C6 | C2 | 109.1° | 109.6° |
| O5 | C6 | H12 | 110.4° | 109.5° |
| C6 | O5 | H13 | 109.5° | 114.0° |
| C6 | C2 | C3 | 110.4° | 109.3° |
| C6 | C2 | C1 | 114.8° | 109.5° |
| C6 | C2 | H3 | 106.0° | 109.5° |
| C2 | C6 | H12 | 108.9° | 109.5° |
| C3 | C2 | C1 | 112.9° | 109.5° |
| C3 | C2 | H3 | 106.2° | 109.5° |
| C2 | C3 | H4 | 107.1° | 109.5° |
| C2 | C3 | H5 | 107.1° | 109.5° |
| C2 | C1 | S1 | 117.0° | 109.5° |
| C2 | C1 | H1 | 107.6° | 109.5° |
| C2 | C1 | H2 | 107.6° | 109.5° |
| C1 | C2 | H3 | 105.9° | 109.5° |
| C1 | S1 | O3 | 105.6° | 110.5° |
| C1 | S1 | O2 | 105.1° | 110.5° |
| C1 | S1 | O1 | 109.9° | 104.5° |
| S1 | C1 | H1 | 107.6° | 109.5° |
| S1 | C1 | H2 | 107.5° | 109.4° |
| O3 | S1 | O2 | 104.5° | 121.0° |
| O3 | S1 | O1 | 109.7° | 104.3° |
| O2 | S1 | O1 | 121.0° | 104.3° |
| S1 | O1 | H14 | 109.5° | 114.1° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C5 | C4 | N1 | 149.9° | 179.1° |
| O4 | C5 | C4 | C6 | 122.1° | 119.9° |
| O4 | C5 | C4 | H10 | 119.3° | 120.2° |
| O4 | C5 | C6 | H10 | 118.4° | 120.1° |
| O4 | C5 | C6 | O5 | 57.3° | 62.5° |
| O4 | C5 | C6 | C2 | 177.0° | 177.5° |
| O4 | C5 | C4 | H8 | 89.3° | 60.9° |
| O4 | C5 | C4 | H9 | 29.2° | 59.1° |
| O4 | C5 | C6 | H12 | 62.6° | 57.7° |
| N1 | C4 | C5 | H8 | 120.8° | 120.0° |
| N1 | C4 | C5 | H9 | 120.8° | 120.0° |
| C4 | N1 | C3 | H6 | 120.5° | 124.1° |
| N1 | C4 | C5 | C6 | 27.8° | 59.2° |
| C4 | N1 | C3 | C2 | 53.4° | 61.8° |
| C4 | N1 | C3 | H4 | 174.7° | 178.2° |
| C4 | N1 | C3 | H5 | 67.9° | 58.2° |
| N1 | C4 | H8 | H9 | 117.7° | 120.0° |
| N1 | C4 | C5 | H10 | 90.7° | 60.7° |
| C5 | C4 | N1 | C3 | 26.1° | 61.8° |
| C4 | C5 | C6 | H10 | 118.5° | 119.9° |
| C4 | C5 | C6 | O5 | 179.7° | 177.6° |
| C4 | C5 | C6 | C2 | 59.9° | 57.6° |
| C5 | C4 | N1 | H6 | 94.5° | 174.2° |
| C5 | C4 | H8 | H9 | 117.6° | 120.0° |
| C4 | C5 | O4 | H11 | 180.0° | 60.0° |
| C4 | C5 | C6 | H12 | 60.4° | 62.3° |
| N1 | C3 | C2 | C6 | 20.6° | 59.2° |
| N1 | C3 | C2 | H4 | 121.3° | 120.0° |
| N1 | C3 | C2 | H5 | 121.3° | 120.0° |
| N1 | C3 | C2 | C1 | 109.3° | 179.1° |
| N1 | C3 | C2 | H3 | 135.1° | 60.8° |
| N1 | C3 | H4 | H5 | 115.8° | 120.0° |
| C3 | N1 | C4 | H8 | 94.7° | 178.2° |
| C3 | N1 | C4 | H9 | 146.8° | 58.2° |
| C5 | C6 | O5 | C2 | 121.2° | 119.7° |
| C5 | C6 | O5 | H12 | 119.1° | 120.1° |
| C5 | C6 | C2 | H12 | 120.4° | 119.9° |
| C5 | C6 | C2 | C3 | 34.4° | 57.6° |
| C5 | C6 | C2 | C1 | 163.3° | 177.5° |
| C5 | C6 | C2 | H3 | 80.1° | 62.4° |
| C6 | C5 | C4 | H8 | 148.6° | 179.2° |
| C6 | C5 | C4 | H9 | 93.0° | 60.9° |
| C6 | C5 | O4 | H11 | 55.8° | 179.9° |
| C5 | C6 | O5 | H13 | 180.0° | 60.0° |
| O5 | C6 | C2 | H12 | 120.6° | 120.2° |
| O5 | C6 | C2 | C3 | 153.4° | 177.6° |
| O5 | C6 | C2 | C1 | 77.7° | 62.5° |
| O5 | C6 | C2 | H3 | 38.8° | 57.6° |
| O5 | C6 | C5 | H10 | 61.1° | 57.6° |
| C6 | C2 | C3 | C1 | 129.9° | 120.0° |
| C6 | C2 | C3 | H3 | 114.4° | 120.0° |
| C6 | C2 | C1 | H3 | 116.6° | 120.0° |
| C6 | C2 | C1 | S1 | 167.2° | 175.1° |
| C6 | C2 | C1 | H1 | 46.1° | 64.9° |
| C6 | C2 | C1 | H2 | 71.7° | 55.0° |
| C6 | C2 | C3 | H4 | 141.9° | 179.2° |
| C6 | C2 | C3 | H5 | 100.7° | 60.8° |
| C2 | C6 | C5 | H10 | 58.6° | 62.4° |
| C2 | C6 | O5 | H13 | 58.7° | 179.7° |
| C3 | C2 | C1 | H3 | 115.8° | 120.1° |
| C3 | C2 | C1 | S1 | 65.1° | 65.1° |
| C3 | C2 | C1 | H1 | 173.8° | 54.9° |
| C3 | C2 | C1 | H2 | 56.0° | 174.9° |
| C2 | C3 | H4 | H5 | 115.8° | 120.0° |
| C2 | C3 | N1 | H6 | 67.1° | 174.1° |
| C3 | C2 | C6 | H12 | 86.0° | 62.3° |
| C2 | C1 | S1 | H1 | 121.1° | 120.0° |
| C2 | C1 | S1 | H2 | 121.1° | 120.0° |
| C2 | C1 | S1 | O3 | 70.3° | 68.4° |
| C2 | C1 | S1 | O2 | 179.5° | 68.4° |
| C2 | C1 | S1 | O1 | 47.9° | 180.0° |
| C2 | C1 | H1 | H2 | 116.6° | 120.0° |
| C1 | C2 | C3 | H4 | 12.0° | 60.9° |
| C1 | C2 | C3 | H5 | 129.4° | 59.1° |
| C1 | C2 | C6 | H12 | 42.9° | 57.7° |
| C1 | S1 | O3 | O2 | 110.6° | 131.5° |
| C1 | S1 | O3 | O1 | 118.3° | 111.8° |
| C1 | S1 | O2 | O1 | 124.9° | 111.8° |
| S1 | C1 | H1 | H2 | 116.5° | 119.9° |
| S1 | C1 | C2 | H3 | 50.7° | 55.0° |
| C1 | S1 | O1 | H14 | 115.6° | 180.0° |
| O3 | S1 | O2 | O1 | 124.1° | 116.8° |
| O3 | S1 | C1 | H1 | 168.6° | 51.7° |
| O3 | S1 | C1 | H2 | 50.8° | 171.6° |
| O3 | S1 | O1 | H14 | 0.0° | 64.0° |
| O2 | S1 | C1 | H1 | 58.4° | 171.6° |
| O2 | S1 | C1 | H2 | 59.3° | 51.7° |
| O2 | S1 | O1 | H14 | 121.7° | 63.9° |
| O1 | S1 | C1 | H1 | 73.2° | 60.0° |
| O1 | S1 | C1 | H2 | 169.0° | 60.0° |
| H1 | C1 | C2 | H3 | 70.4° | 175.0° |
| H2 | C1 | C2 | H3 | 171.8° | 65.0° |
| H3 | C2 | C3 | H4 | 103.6° | 59.2° |
| H3 | C2 | C3 | H5 | 13.7° | 179.2° |
| H3 | C2 | C6 | H12 | 159.5° | 177.7° |
| H4 | C3 | N1 | H6 | 54.2° | 54.1° |
| H5 | C3 | N1 | H6 | 171.6° | 65.9° |
| H6 | N1 | C4 | H8 | 144.8° | 54.2° |
| H6 | N1 | C4 | H9 | 26.3° | 65.8° |
| H8 | C4 | C5 | H10 | 30.1° | 59.3° |
| H9 | C4 | C5 | H10 | 148.5° | 179.3° |
| H10 | C5 | O4 | H11 | 61.6° | 60.1° |
| H10 | C5 | C6 | H12 | 178.9° | 177.8° |
| H12 | C6 | O5 | H13 | 61.0° | 60.1° |
