Z3V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C4 | sing | 1.81Å | 1.81Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 1.01Å | 1.00Å | |
| S1 | H12 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | C4 | C3 | 112.1° | 109.5° |
| S1 | C4 | H8 | 108.8° | 109.5° |
| S1 | C4 | H9 | 108.8° | 109.5° |
| C4 | S1 | H12 | 102.0° | 103.0° |
| C4 | C3 | N1 | 111.8° | 109.5° |
| C4 | C3 | H6 | 108.9° | 109.4° |
| C4 | C3 | H7 | 108.9° | 109.5° |
| C3 | C4 | H8 | 108.8° | 109.5° |
| C3 | C4 | H9 | 108.8° | 109.4° |
| C3 | N1 | C2 | 114.6° | 111.0° |
| N1 | C3 | H6 | 108.9° | 109.5° |
| N1 | C3 | H7 | 108.9° | 109.5° |
| C3 | N1 | H10 | 108.2° | 111.0° |
| N1 | C2 | C1 | 111.5° | 109.5° |
| N1 | C2 | H4 | 108.9° | 109.4° |
| N1 | C2 | H5 | 109.0° | 109.5° |
| C2 | N1 | H10 | 108.2° | 111.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.0° | 109.5° |
| C1 | C2 | H5 | 109.0° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H6 | C3 | H7 | 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) |
| S1 | C4 | C3 | H8 | 120.4° | 120.0° |
| S1 | C4 | C3 | H9 | 120.4° | 120.0° |
| S1 | C4 | C3 | N1 | 173.4° | 180.0° |
| S1 | C4 | C3 | H6 | 66.3° | 60.0° |
| S1 | C4 | C3 | H7 | 53.0° | 60.0° |
| S1 | C4 | H8 | H9 | 118.8° | 120.0° |
| C4 | C3 | N1 | H6 | 120.4° | 119.9° |
| C4 | C3 | N1 | H7 | 120.3° | 120.0° |
| C4 | C3 | N1 | C2 | 110.2° | 180.0° |
| C4 | C3 | H6 | H7 | 118.9° | 120.0° |
| C3 | C4 | H8 | H9 | 118.8° | 119.9° |
| C4 | C3 | N1 | H10 | 129.1° | 56.1° |
| C3 | C4 | S1 | H12 | 180.0° | 180.0° |
| C3 | N1 | C2 | H10 | 120.8° | 124.0° |
| C3 | N1 | C2 | C1 | 68.4° | 180.0° |
| C3 | N1 | C2 | H4 | 52.0° | 60.0° |
| C3 | N1 | C2 | H5 | 171.3° | 60.0° |
| N1 | C3 | H6 | H7 | 118.9° | 120.0° |
| N1 | C3 | C4 | H8 | 53.0° | 59.9° |
| N1 | C3 | C4 | H9 | 66.3° | 60.0° |
| N1 | C2 | C1 | H4 | 120.3° | 120.0° |
| N1 | C2 | C1 | H5 | 120.3° | 120.1° |
| N1 | C2 | C1 | H1 | 180.0° | 60.0° |
| N1 | C2 | C1 | H2 | 60.0° | 180.0° |
| N1 | C2 | C1 | H3 | 60.0° | 60.0° |
| N1 | C2 | H4 | H5 | 119.1° | 120.0° |
| C2 | N1 | C3 | H6 | 10.2° | 60.0° |
| C2 | N1 | C3 | H7 | 129.5° | 60.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 119.1° | 120.0° |
| C1 | C2 | N1 | H10 | 170.9° | 56.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.7° | 180.0° |
| H1 | C1 | C2 | H5 | 59.7° | 60.0° |
| H2 | C1 | C2 | H4 | 179.7° | 60.0° |
| H2 | C1 | C2 | H5 | 60.3° | 60.0° |
| H3 | C1 | C2 | H4 | 60.3° | 60.0° |
| H3 | C1 | C2 | H5 | 179.7° | 180.0° |
| H4 | C2 | N1 | H10 | 68.8° | 64.0° |
| H5 | C2 | N1 | H10 | 50.6° | 176.1° |
| H6 | C3 | C4 | H8 | 173.3° | 60.0° |
| H6 | C3 | C4 | H9 | 54.1° | 180.0° |
| H6 | C3 | N1 | H10 | 110.6° | 176.0° |
| H7 | C3 | C4 | H8 | 67.4° | NaN° |
| H7 | C3 | C4 | H9 | 173.4° | 60.0° |
| H7 | C3 | N1 | H10 | 8.7° | 64.0° |
| H8 | C4 | S1 | H12 | 59.6° | 60.0° |
| H9 | C4 | S1 | H12 | 59.6° | 60.0° |
