2VQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | N4 | doub | 1.22Å | 1.23Å | |
| O4 | N4 | sing | 1.22Å | 1.23Å | |
| N4 | C3 | sing | 1.48Å | 1.41Å | |
| C3 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.35Å | 1.37Å | Aromatic |
| C2 | N2 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| N2 | C5 | sing | 1.35Å | 1.36Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.35Å | Aromatic |
| C1 | N5 | sing | 1.46Å | 1.48Å | |
| C5 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.47Å | |
| N5 | S1 | sing | 1.66Å | 1.62Å | |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| N1 | S1 | sing | 1.66Å | 1.60Å | |
| S1 | O1 | doub | 1.42Å | 1.43Å | |
| N5 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | N4 | O4 | 123.0° | 120.0° |
| O5 | N4 | C3 | 119.9° | 120.0° |
| O4 | N4 | C3 | 117.0° | 120.0° |
| N4 | C3 | N2 | 125.6° | 126.6° |
| N4 | C3 | C4 | 127.3° | 126.6° |
| N2 | C3 | C4 | 106.9° | 106.8° |
| C3 | N2 | C2 | 129.0° | 126.4° |
| C3 | N2 | C5 | 105.6° | 107.2° |
| C3 | C4 | N3 | 109.3° | 108.1° |
| C3 | C4 | H6 | 125.4° | 125.9° |
| N2 | C2 | C1 | 112.2° | 109.5° |
| C2 | N2 | C5 | 125.2° | 126.4° |
| N2 | C2 | H4 | 108.8° | 109.5° |
| N2 | C2 | H5 | 108.8° | 109.4° |
| C2 | C1 | N5 | 109.6° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.4° |
| C1 | C2 | H4 | 108.8° | 109.5° |
| C1 | C2 | H5 | 108.8° | 109.5° |
| N2 | C5 | N3 | 111.6° | 108.6° |
| N2 | C5 | C6 | 123.7° | 125.7° |
| C4 | N3 | C5 | 106.6° | 109.3° |
| N3 | C4 | H6 | 125.4° | 126.0° |
| C1 | N5 | S1 | 118.0° | 120.0° |
| C1 | N5 | H1 | 107.3° | 120.0° |
| N5 | C1 | H2 | 109.5° | 109.5° |
| N5 | C1 | H3 | 109.4° | 109.5° |
| N3 | C5 | C6 | 124.5° | 125.7° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| N5 | S1 | O2 | 109.4° | 106.4° |
| N5 | S1 | N1 | 107.9° | 107.2° |
| N5 | S1 | O1 | 102.7° | 106.4° |
| S1 | N5 | H1 | 107.3° | 120.0° |
| O2 | S1 | N1 | 108.1° | 106.4° |
| O2 | S1 | O1 | 119.4° | 123.2° |
| N1 | S1 | O1 | 108.8° | 106.4° |
| S1 | N1 | H10 | 109.5° | 120.0° |
| S1 | N1 | H11 | 109.5° | 119.9° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H7 | C6 | H9 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.4° | 109.4° |
| H10 | N1 | H11 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | N4 | O4 | C3 | 177.1° | 179.9° |
| O5 | N4 | C3 | N2 | 6.4° | 180.0° |
| O5 | N4 | C3 | C4 | 167.6° | 0.1° |
| O4 | N4 | C3 | N2 | 176.4° | 0.1° |
| O4 | N4 | C3 | C4 | 9.7° | 180.0° |
| N4 | C3 | N2 | C4 | 175.0° | 180.0° |
| N4 | C3 | N2 | C2 | 10.8° | 0.1° |
| N4 | C3 | N2 | C5 | 174.0° | 180.0° |
| N4 | C3 | C4 | N3 | 173.8° | 180.0° |
| N4 | C3 | C4 | H6 | 6.1° | 0.1° |
| C3 | N2 | C2 | C5 | 174.4° | 179.9° |
| C3 | N2 | C2 | C1 | 68.7° | 90.0° |
| N2 | C3 | C4 | N3 | 1.0° | 0.0° |
| C3 | N2 | C5 | N3 | 0.6° | 0.0° |
| C3 | N2 | C5 | C6 | 176.8° | 180.0° |
| C3 | N2 | C2 | H4 | 170.9° | 30.1° |
| C3 | N2 | C2 | H5 | 51.8° | 150.0° |
| N2 | C3 | C4 | H6 | 179.0° | 179.9° |
| C4 | C3 | N2 | C2 | 174.3° | 179.9° |
| C4 | C3 | N2 | C5 | 1.0° | 0.0° |
| C3 | C4 | N3 | H6 | 180.0° | 179.9° |
| C3 | C4 | N3 | C5 | 0.6° | 0.0° |
| N2 | C2 | C1 | H4 | 120.4° | 120.0° |
| N2 | C2 | C1 | H5 | 120.4° | 119.9° |
| N2 | C2 | C1 | N5 | 55.4° | 180.0° |
| C2 | N2 | C5 | N3 | 174.8° | 179.9° |
| C2 | N2 | C5 | C6 | 1.4° | 0.1° |
| N2 | C2 | C1 | H2 | 175.4° | 59.9° |
| N2 | C2 | C1 | H3 | 64.6° | 60.0° |
| N2 | C2 | H4 | H5 | 118.7° | 119.9° |
| C1 | C2 | N2 | C5 | 105.7° | 89.8° |
| C2 | C1 | N5 | H2 | 120.0° | 120.0° |
| C2 | C1 | N5 | H3 | 120.0° | 120.0° |
| C2 | C1 | N5 | S1 | 117.4° | 165.0° |
| C2 | C1 | N5 | H1 | 121.4° | 15.0° |
| C2 | C1 | H2 | H3 | 119.9° | 119.9° |
| C1 | C2 | H4 | H5 | 118.7° | 120.0° |
| N2 | C5 | N3 | C4 | 0.0° | 0.0° |
| N2 | C5 | N3 | C6 | 176.2° | 180.0° |
| C5 | N2 | C2 | H4 | 14.7° | 150.1° |
| C5 | N2 | C2 | H5 | 133.9° | 30.1° |
| N2 | C5 | C6 | H7 | 175.7° | 90.0° |
| N2 | C5 | C6 | H8 | 64.3° | 30.0° |
| N2 | C5 | C6 | H9 | 55.7° | 150.0° |
| C4 | N3 | C5 | C6 | 176.2° | 180.0° |
| C1 | N5 | S1 | H1 | 121.2° | 179.9° |
| C1 | N5 | S1 | O2 | 65.1° | 48.5° |
| C1 | N5 | S1 | N1 | 52.3° | 65.0° |
| C1 | N5 | S1 | O1 | 167.1° | 178.6° |
| N5 | C1 | H2 | H3 | 119.9° | 120.0° |
| N5 | C1 | C2 | H4 | 65.0° | 60.0° |
| N5 | C1 | C2 | H5 | 175.8° | 60.0° |
| C5 | N3 | C4 | H6 | 179.4° | 180.0° |
| N3 | C5 | C6 | H7 | 0.0° | 90.0° |
| N3 | C5 | C6 | H8 | 120.0° | 150.0° |
| N3 | C5 | C6 | H9 | 120.0° | 30.0° |
| C5 | C6 | H7 | H8 | 120.0° | 120.0° |
| C5 | C6 | H7 | H9 | 120.0° | 120.1° |
| C5 | C6 | H8 | H9 | 120.0° | 120.1° |
| N5 | S1 | O2 | N1 | 117.3° | 114.1° |
| N5 | S1 | O2 | O1 | 117.7° | 123.0° |
| N5 | S1 | N1 | O1 | 110.7° | 113.6° |
| S1 | N5 | C1 | H2 | 2.6° | 75.0° |
| S1 | N5 | C1 | H3 | 122.6° | 45.0° |
| N5 | S1 | N1 | H10 | 180.0° | 90.0° |
| N5 | S1 | N1 | H11 | 60.0° | 90.0° |
| O2 | S1 | N1 | O1 | 131.1° | 132.9° |
| O2 | S1 | N5 | H1 | 173.7° | 131.4° |
| O2 | S1 | N1 | H10 | 61.7° | 23.5° |
| O2 | S1 | N1 | H11 | 58.3° | 156.5° |
| N1 | S1 | N5 | H1 | 68.9° | 115.1° |
| S1 | N1 | H10 | H11 | 120.0° | 180.0° |
| O1 | S1 | N5 | H1 | 45.9° | 1.5° |
| O1 | S1 | N1 | H10 | 69.4° | 156.4° |
| O1 | S1 | N1 | H11 | 170.6° | 23.6° |
| H1 | N5 | C1 | H2 | 118.6° | 105.1° |
| H1 | N5 | C1 | H3 | 1.4° | 135.0° |
| H2 | C1 | C2 | H4 | 55.0° | 180.0° |
| H2 | C1 | C2 | H5 | 64.2° | 60.0° |
| H3 | C1 | C2 | H4 | 175.0° | 60.0° |
| H3 | C1 | C2 | H5 | 55.8° | 179.9° |
| H7 | C6 | H8 | H9 | 120.0° | 119.9° |
