6LN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | S2 | sing | 1.81Å | 1.82Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | S1 | sing | 1.81Å | 1.81Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| S1 | H3 | sing | 1.34Å | 1.30Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| S2 | H6 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S2 | C2 | C1 | 111.2° | 109.5° |
| S2 | C2 | H4 | 109.0° | 109.5° |
| S2 | C2 | H5 | 109.0° | 109.5° |
| C2 | S2 | H6 | 102.0° | 103.0° |
| C2 | C1 | S1 | 111.1° | 109.5° |
| C2 | C1 | H1 | 109.1° | 109.5° |
| C2 | C1 | H2 | 109.1° | 109.5° |
| C1 | C2 | H4 | 109.1° | 109.5° |
| C1 | C2 | H5 | 109.1° | 109.5° |
| S1 | C1 | H1 | 109.1° | 109.5° |
| S1 | C1 | H2 | 109.1° | 109.5° |
| C1 | S1 | H3 | 102.0° | 103.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H4 | C2 | H5 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S2 | C2 | C1 | H4 | 120.3° | 120.0° |
| S2 | C2 | C1 | H5 | 120.3° | 120.0° |
| S2 | C2 | C1 | S1 | 153.0° | 180.0° |
| S2 | C2 | C1 | H1 | 32.8° | 60.0° |
| S2 | C2 | C1 | H2 | 86.7° | 60.0° |
| S2 | C2 | H4 | H5 | 119.2° | 120.0° |
| C2 | C1 | S1 | H1 | 120.3° | 120.0° |
| C2 | C1 | S1 | H2 | 120.2° | 120.0° |
| C2 | C1 | H1 | H2 | 119.3° | 120.0° |
| C2 | C1 | S1 | H3 | 180.0° | 180.0° |
| C1 | C2 | H4 | H5 | 119.3° | 120.0° |
| C1 | C2 | S2 | H6 | 180.0° | 180.0° |
| S1 | C1 | H1 | H2 | 119.3° | 120.0° |
| S1 | C1 | C2 | H4 | 86.7° | 60.0° |
| S1 | C1 | C2 | H5 | 32.8° | 60.0° |
| H1 | C1 | S1 | H3 | 59.7° | 60.0° |
| H1 | C1 | C2 | H4 | 153.0° | 180.0° |
| H1 | C1 | C2 | H5 | 87.5° | 60.0° |
| H2 | C1 | S1 | H3 | 59.8° | 60.0° |
| H2 | C1 | C2 | H4 | 33.5° | 60.0° |
| H2 | C1 | C2 | H5 | 153.0° | 180.0° |
| H4 | C2 | S2 | H6 | 59.7° | 60.0° |
| H5 | C2 | S2 | H6 | 59.7° | 60.0° |






