V4X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.55Å | |
| C | N | sing | 1.46Å | 1.42Å | |
| N1 | C6 | trip | 1.14Å | 1.14Å | |
| C1 | S | sing | 1.82Å | 1.79Å | |
| C6 | C5 | sing | 1.47Å | 1.43Å | |
| C3 | N | sing | 1.46Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| O | C4 | doub | 1.21Å | 1.20Å | |
| N | C4 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C2 | S | sing | 1.82Å | 1.78Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | N | 107.8° | 109.5° |
| C | C1 | S | 113.2° | 108.8° |
| C | C1 | H1 | 108.5° | 109.6° |
| C | C1 | H2 | 108.5° | 109.7° |
| C1 | C | H9 | 109.9° | 109.5° |
| C1 | C | H10 | 109.9° | 109.5° |
| C | N | C3 | 112.2° | 120.7° |
| C | N | C4 | 116.4° | 119.6° |
| N | C | H9 | 109.9° | 109.5° |
| N | C | H10 | 109.9° | 109.5° |
| N1 | C6 | C5 | 178.6° | 180.0° |
| C1 | S | C2 | 100.8° | 102.3° |
| S | C1 | H1 | 108.5° | 109.6° |
| S | C1 | H2 | 108.5° | 109.6° |
| C6 | C5 | C4 | 106.6° | 109.5° |
| C6 | C5 | H3 | 110.2° | 109.4° |
| C6 | C5 | H4 | 110.2° | 109.4° |
| N | C3 | C2 | 109.6° | 109.5° |
| C3 | N | C4 | 118.0° | 119.7° |
| N | C3 | H5 | 109.5° | 109.5° |
| N | C3 | H6 | 109.4° | 109.5° |
| C3 | C2 | S | 109.7° | 108.8° |
| C2 | C3 | H5 | 109.4° | 109.5° |
| C2 | C3 | H6 | 109.4° | 109.4° |
| C3 | C2 | H7 | 109.4° | 109.6° |
| C3 | C2 | H8 | 109.4° | 109.5° |
| O | C4 | N | 119.4° | 120.0° |
| O | C4 | C5 | 121.6° | 120.0° |
| N | C4 | C5 | 119.0° | 120.0° |
| C4 | C5 | H3 | 110.2° | 109.5° |
| C4 | C5 | H4 | 110.2° | 109.5° |
| S | C2 | H7 | 109.4° | 109.6° |
| S | C2 | H8 | 109.4° | 109.6° |
| H1 | C1 | H2 | 109.5° | 109.6° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C2 | H8 | 109.5° | 109.7° |
| H9 | C | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | N | H9 | 119.7° | 120.0° |
| C1 | C | N | H10 | 119.7° | 120.0° |
| C | C1 | S | H1 | 120.5° | 119.8° |
| C | C1 | S | H2 | 120.6° | 120.0° |
| C1 | C | N | C3 | 53.5° | 65.1° |
| C1 | C | N | C4 | 166.4° | 114.9° |
| C | C1 | S | C2 | 57.1° | 54.5° |
| C | C1 | H1 | H2 | 118.3° | 120.4° |
| C1 | C | H9 | H10 | 120.8° | 120.0° |
| N | C | C1 | S | 18.7° | 57.7° |
| C | N | C3 | C4 | 139.5° | 179.9° |
| C | N | C3 | C2 | 86.4° | 65.1° |
| C | N | C4 | O | 25.5° | 179.9° |
| C | N | C4 | C5 | 154.0° | 0.1° |
| N | C | C1 | H1 | 101.8° | 177.5° |
| N | C | C1 | H2 | 139.3° | 62.2° |
| C | N | C3 | H5 | 153.6° | 54.9° |
| C | N | C3 | H6 | 33.6° | 174.9° |
| N | C | H9 | H10 | 120.8° | 120.0° |
| N1 | C6 | C5 | C4 | 15.2° | 55.8° |
| N1 | C6 | C5 | H3 | 134.7° | 175.8° |
| N1 | C6 | C5 | H4 | 104.4° | 64.3° |
| C1 | S | C2 | C3 | 28.8° | 54.5° |
| S | C1 | H1 | H2 | 118.3° | 120.3° |
| C1 | S | C2 | H7 | 148.8° | 65.3° |
| C1 | S | C2 | H8 | 91.3° | 174.3° |
| S | C1 | C | H9 | 101.0° | 177.7° |
| S | C1 | C | H10 | 138.5° | 62.3° |
| C6 | C5 | C4 | O | 38.1° | 0.0° |
| C6 | C5 | C4 | N | 141.3° | 180.0° |
| C6 | C5 | C4 | H3 | 119.6° | 120.0° |
| C6 | C5 | C4 | H4 | 119.5° | 120.0° |
| C6 | C5 | H3 | H4 | 121.3° | 119.9° |
| N | C3 | C2 | H5 | 120.0° | 120.0° |
| N | C3 | C2 | H6 | 120.0° | 120.0° |
| C3 | N | C4 | O | 163.3° | 0.0° |
| C3 | N | C4 | C5 | 16.2° | 180.0° |
| N | C3 | C2 | S | 30.6° | 57.7° |
| N | C3 | H5 | H6 | 119.9° | 120.0° |
| N | C3 | C2 | H7 | 89.4° | 62.1° |
| N | C3 | C2 | H8 | 150.6° | 177.5° |
| C3 | N | C | H9 | 173.2° | 174.9° |
| C3 | N | C | H10 | 66.3° | 54.9° |
| C2 | C3 | N | C4 | 134.2° | 114.9° |
| C3 | C2 | S | H7 | 120.0° | 119.8° |
| C3 | C2 | S | H8 | 120.0° | 119.8° |
| C2 | C3 | H5 | H6 | 119.9° | 120.0° |
| C3 | C2 | H7 | H8 | 119.9° | 120.3° |
| O | C4 | N | C5 | 179.4° | 180.0° |
| O | C4 | C5 | H3 | 81.4° | 120.0° |
| O | C4 | C5 | H4 | 157.7° | 120.0° |
| N | C4 | C5 | H3 | 99.1° | 60.0° |
| N | C4 | C5 | H4 | 21.8° | 60.0° |
| C4 | N | C3 | H5 | 14.1° | 125.0° |
| C4 | N | C3 | H6 | 105.8° | 5.0° |
| C4 | N | C | H9 | 46.6° | 5.1° |
| C4 | N | C | H10 | 73.9° | 125.1° |
| C4 | C5 | H3 | H4 | 121.3° | 120.0° |
| C2 | S | C1 | H1 | 63.4° | 174.3° |
| C2 | S | C1 | H2 | 177.7° | 65.4° |
| S | C2 | C3 | H5 | 150.6° | 62.4° |
| S | C2 | C3 | H6 | 89.4° | 177.6° |
| S | C2 | H7 | H8 | 119.9° | 120.4° |
| H1 | C1 | C | H9 | 138.4° | 62.5° |
| H1 | C1 | C | H10 | 17.9° | 57.5° |
| H2 | C1 | C | H9 | 19.5° | 57.8° |
| H2 | C1 | C | H10 | 101.0° | 177.8° |
| H5 | C3 | C2 | H7 | 30.6° | 177.8° |
| H5 | C3 | C2 | H8 | 89.3° | 57.4° |
| H6 | C3 | C2 | H7 | 150.6° | 57.8° |
| H6 | C3 | C2 | H8 | 30.6° | 62.6° |
