L2L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | S03 | doub | 1.42Å | 1.50Å | |
| O04 | S03 | doub | 1.42Å | 1.50Å | |
| N01 | C02 | sing | 1.47Å | 1.44Å | |
| S03 | C02 | sing | 1.81Å | 1.79Å | |
| S03 | O06 | sing | 1.52Å | 1.50Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| N01 | H1 | sing | 1.01Å | 1.00Å | |
| N01 | H2 | sing | 1.01Å | 1.00Å | |
| O06 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | S03 | O04 | 101.9° | 121.0° |
| O05 | S03 | C02 | 109.9° | 110.5° |
| O05 | S03 | O06 | 112.9° | 104.3° |
| O04 | S03 | C02 | 110.1° | 110.5° |
| O04 | S03 | O06 | 112.5° | 104.3° |
| N01 | C02 | S03 | 105.8° | 109.5° |
| N01 | C02 | H3 | 110.4° | 109.5° |
| N01 | C02 | H4 | 110.4° | 109.4° |
| C02 | N01 | H1 | 109.5° | 111.0° |
| C02 | N01 | H2 | 109.5° | 111.0° |
| C02 | S03 | O06 | 109.3° | 104.4° |
| S03 | C02 | H3 | 110.4° | 109.5° |
| S03 | C02 | H4 | 110.3° | 109.5° |
| S03 | O06 | H5 | 109.5° | 114.0° |
| H3 | C02 | H4 | 109.5° | 109.5° |
| H1 | N01 | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | S03 | O04 | C02 | 116.7° | 131.5° |
| O05 | S03 | O04 | O06 | 121.2° | 116.8° |
| O05 | S03 | C02 | N01 | 14.4° | 68.4° |
| O05 | S03 | C02 | O06 | 124.4° | 111.6° |
| O05 | S03 | C02 | H3 | 133.8° | 51.6° |
| O05 | S03 | C02 | H4 | 105.1° | 171.6° |
| O05 | S03 | O06 | H5 | 114.7° | 63.9° |
| O04 | S03 | C02 | N01 | 97.2° | 68.4° |
| O04 | S03 | C02 | O06 | 124.1° | 111.6° |
| O04 | S03 | C02 | H3 | 22.2° | 171.6° |
| O04 | S03 | C02 | H4 | 143.4° | 51.6° |
| O04 | S03 | O06 | H5 | 0.0° | 63.9° |
| N01 | C02 | S03 | H3 | 119.4° | 120.0° |
| N01 | C02 | S03 | H4 | 119.4° | 120.0° |
| N01 | C02 | S03 | O06 | 138.7° | 180.0° |
| N01 | C02 | H3 | H4 | 121.7° | 120.0° |
| C02 | N01 | H1 | H2 | 120.0° | 124.0° |
| S03 | C02 | H3 | H4 | 121.6° | 120.0° |
| S03 | C02 | N01 | H1 | 180.0° | 56.0° |
| S03 | C02 | N01 | H2 | 60.0° | 180.0° |
| C02 | S03 | O06 | H5 | 122.7° | 180.0° |
| O06 | S03 | C02 | H3 | 101.8° | 60.0° |
| O06 | S03 | C02 | H4 | 19.3° | 60.0° |
| H3 | C02 | N01 | H1 | 60.6° | 176.0° |
| H3 | C02 | N01 | H2 | 59.4° | 59.9° |
| H4 | C02 | N01 | H1 | 60.6° | 64.0° |
| H4 | C02 | N01 | H2 | 179.4° | 60.0° |
