0VW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | N3 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | N7 | sing | 1.47Å | 1.47Å | |
| N3 | C1 | sing | 1.39Å | 1.38Å | |
| N7 | C1 | sing | 1.39Å | 1.39Å | |
| C1 | N2 | doub | 1.30Å | 1.33Å | |
| N9 | S8 | sing | 1.66Å | 1.56Å | |
| O10 | S8 | doub | 1.42Å | 1.43Å | |
| N2 | S8 | sing | 1.66Å | 1.64Å | |
| S8 | O11 | doub | 1.42Å | 1.51Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| N7 | H8 | sing | 0.97Å | 1.00Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| N9 | H10 | sing | 0.97Å | 1.00Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | N3 | 117.0° | 108.6° |
| C4 | C5 | C6 | 115.4° | 109.2° |
| C5 | C4 | H2 | 107.6° | 109.6° |
| C5 | C4 | H3 | 107.6° | 109.6° |
| C4 | C5 | H4 | 108.0° | 109.6° |
| C4 | C5 | H5 | 108.0° | 109.5° |
| C4 | N3 | C1 | 118.5° | 117.4° |
| N3 | C4 | H2 | 107.5° | 109.6° |
| N3 | C4 | H3 | 107.6° | 109.6° |
| C4 | N3 | H1 | 120.7° | 121.3° |
| C5 | C6 | N7 | 111.0° | 108.7° |
| C6 | C5 | H4 | 108.0° | 109.5° |
| C6 | C5 | H5 | 108.0° | 109.5° |
| C5 | C6 | H6 | 109.1° | 109.7° |
| C5 | C6 | H7 | 109.1° | 109.6° |
| C6 | N7 | C1 | 127.1° | 117.7° |
| N7 | C6 | H6 | 109.1° | 109.7° |
| N7 | C6 | H7 | 109.1° | 109.4° |
| C6 | N7 | H8 | 116.4° | 121.3° |
| N3 | C1 | N7 | 119.4° | 116.5° |
| N3 | C1 | N2 | 112.8° | 121.8° |
| C1 | N3 | H1 | 120.8° | 121.3° |
| N7 | C1 | N2 | 127.8° | 121.7° |
| C1 | N7 | H8 | 116.5° | 121.0° |
| C1 | N2 | S8 | 120.2° | 120.0° |
| N9 | S8 | O10 | 110.3° | 106.4° |
| N9 | S8 | N2 | 110.3° | 107.2° |
| N9 | S8 | O11 | 108.4° | 106.4° |
| S8 | N9 | H9 | 109.5° | 119.9° |
| S8 | N9 | H10 | 109.5° | 120.0° |
| O10 | S8 | N2 | 116.5° | 106.4° |
| O10 | S8 | O11 | 109.2° | 123.2° |
| N2 | S8 | O11 | 101.7° | 106.4° |
| H2 | C4 | H3 | 109.5° | 109.8° |
| H4 | C5 | H5 | 109.5° | 109.6° |
| H6 | C6 | H7 | 109.5° | 109.7° |
| H9 | N9 | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | N3 | H2 | 121.1° | 119.7° |
| C5 | C4 | N3 | H3 | 121.1° | 119.7° |
| C4 | C5 | C6 | H4 | 120.9° | 120.0° |
| C4 | C5 | C6 | H5 | 120.9° | 119.9° |
| C4 | C5 | C6 | N7 | 28.7° | 55.6° |
| C5 | C4 | N3 | C1 | 25.9° | 49.6° |
| C5 | C4 | H2 | H3 | 116.6° | 120.4° |
| C4 | C5 | H4 | H5 | 117.4° | 120.1° |
| C4 | C5 | C6 | H6 | 148.9° | 175.6° |
| C4 | C5 | C6 | H7 | 91.6° | 63.9° |
| C5 | C4 | N3 | H1 | 154.1° | 130.3° |
| N3 | C4 | C5 | C6 | 41.0° | 55.8° |
| C4 | N3 | C1 | H1 | 180.0° | 179.9° |
| C4 | N3 | C1 | N7 | 0.2° | 42.4° |
| C4 | N3 | C1 | N2 | 177.5° | 137.3° |
| N3 | C4 | H2 | H3 | 116.6° | 120.4° |
| N3 | C4 | C5 | H4 | 79.9° | 64.2° |
| N3 | C4 | C5 | H5 | 161.8° | 175.7° |
| C5 | C6 | N7 | H6 | 120.2° | 119.9° |
| C5 | C6 | N7 | H7 | 120.2° | 119.7° |
| C5 | C6 | N7 | C1 | 3.4° | 49.2° |
| C6 | C5 | C4 | H2 | 80.1° | 175.5° |
| C6 | C5 | C4 | H3 | 162.1° | 63.9° |
| C6 | C5 | H4 | H5 | 117.3° | 120.1° |
| C5 | C6 | H6 | H7 | 119.3° | 120.4° |
| C5 | C6 | N7 | H8 | 176.5° | 130.4° |
| C6 | N7 | C1 | N3 | 12.0° | 42.2° |
| C6 | N7 | C1 | H8 | 180.0° | 179.6° |
| C6 | N7 | C1 | N2 | 165.3° | 137.4° |
| N7 | C6 | C5 | H4 | 92.2° | 64.4° |
| N7 | C6 | C5 | H5 | 149.6° | 175.5° |
| N7 | C6 | H6 | H7 | 119.3° | 120.2° |
| N3 | C1 | N7 | N2 | 177.3° | 179.7° |
| N3 | C1 | N2 | S8 | 168.7° | 180.0° |
| C1 | N3 | C4 | H2 | 95.2° | 169.3° |
| C1 | N3 | C4 | H3 | 147.0° | 70.1° |
| N3 | C1 | N7 | H8 | 168.1° | 137.4° |
| N7 | C1 | N2 | S8 | 13.8° | 0.3° |
| C1 | N7 | C6 | H6 | 123.7° | 169.1° |
| C1 | N7 | C6 | H7 | 116.8° | 70.4° |
| N7 | C1 | N3 | H1 | 179.8° | 137.5° |
| C1 | N2 | S8 | N9 | 117.2° | 180.0° |
| C1 | N2 | S8 | O10 | 9.5° | 66.5° |
| C1 | N2 | S8 | O11 | 128.0° | 66.5° |
| N2 | C1 | N7 | H8 | 14.7° | 42.9° |
| N2 | C1 | N3 | H1 | 2.5° | 42.8° |
| N9 | S8 | O10 | N2 | 126.7° | 114.0° |
| N9 | S8 | O10 | O11 | 119.0° | 123.0° |
| N9 | S8 | N2 | O11 | 114.8° | 113.5° |
| S8 | N9 | H9 | H10 | 120.0° | 179.9° |
| O10 | S8 | N2 | O11 | 118.5° | 133.0° |
| O10 | S8 | N9 | H9 | 180.0° | 36.5° |
| O10 | S8 | N9 | H10 | 60.0° | 143.6° |
| N2 | S8 | N9 | H9 | 50.0° | 150.0° |
| N2 | S8 | N9 | H10 | 170.0° | 30.0° |
| O11 | S8 | N9 | H9 | 60.5° | 96.5° |
| O11 | S8 | N9 | H10 | 59.5° | 83.5° |
| H2 | C4 | C5 | H4 | 159.0° | 55.6° |
| H2 | C4 | C5 | H5 | 40.7° | 64.6° |
| H2 | C4 | N3 | H1 | 84.8° | 10.6° |
| H3 | C4 | C5 | H4 | 41.2° | 176.1° |
| H3 | C4 | C5 | H5 | 77.1° | 56.0° |
| H3 | C4 | N3 | H1 | 33.0° | 110.0° |
| H4 | C5 | C6 | H6 | 28.1° | 55.6° |
| H4 | C5 | C6 | H7 | 147.6° | 176.1° |
| H5 | C5 | C6 | H6 | 90.2° | 64.6° |
| H5 | C5 | C6 | H7 | 29.3° | 56.0° |
| H6 | C6 | N7 | H8 | 56.3° | 10.5° |
| H7 | C6 | N7 | H8 | 63.2° | 109.9° |
