LNI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | doub | 1.21Å | 1.25Å | |
| C01 | O01 | sing | 1.34Å | 1.26Å | |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C03 | C02 | sing | 1.53Å | 1.50Å | |
| C03 | S01 | sing | 1.81Å | 1.79Å | |
| O03 | S01 | doub | 1.42Å | 1.63Å | |
| S01 | C05 | sing | 1.81Å | 1.81Å | |
| S01 | C04 | sing | 1.81Å | 1.81Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C01 | O01 | 125.7° | 120.0° |
| O02 | C01 | C02 | 113.2° | 120.0° |
| O01 | C01 | C02 | 121.0° | 120.0° |
| C01 | O01 | H1 | 109.5° | 117.0° |
| C01 | C02 | C03 | 110.5° | 109.5° |
| C01 | C02 | H2 | 109.2° | 109.4° |
| C01 | C02 | H3 | 109.2° | 109.5° |
| C02 | C03 | S01 | 111.4° | 109.5° |
| C03 | C02 | H2 | 109.2° | 109.5° |
| C03 | C02 | H3 | 109.2° | 109.5° |
| C02 | C03 | H4 | 109.0° | 109.4° |
| C02 | C03 | H5 | 109.0° | 109.5° |
| C03 | S01 | O03 | 111.0° | 112.5° |
| C03 | S01 | C05 | 108.7° | 106.3° |
| C03 | S01 | C04 | 101.9° | 106.3° |
| S01 | C03 | H4 | 109.0° | 109.5° |
| S01 | C03 | H5 | 109.0° | 109.5° |
| O03 | S01 | C05 | 113.4° | 112.5° |
| O03 | S01 | C04 | 104.4° | 112.5° |
| C05 | S01 | C04 | 116.8° | 106.3° |
| S01 | C05 | H9 | 109.5° | 109.5° |
| S01 | C05 | H10 | 109.5° | 109.5° |
| S01 | C05 | H11 | 109.4° | 109.5° |
| S01 | C04 | H6 | 109.5° | 109.5° |
| S01 | C04 | H7 | 109.5° | 109.5° |
| S01 | C04 | H8 | 109.5° | 109.5° |
| H2 | C02 | H3 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.4° |
| H6 | C04 | H8 | 109.5° | 109.4° |
| H7 | C04 | H8 | 109.5° | 109.4° |
| H9 | C05 | H10 | 109.5° | 109.4° |
| H9 | C05 | H11 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C01 | O01 | C02 | 177.1° | 180.0° |
| O02 | C01 | C02 | C03 | 93.5° | 0.0° |
| O02 | C01 | O01 | H1 | 0.0° | 0.0° |
| O02 | C01 | C02 | H2 | 26.7° | 120.0° |
| O02 | C01 | C02 | H3 | 146.4° | 120.1° |
| O01 | C01 | C02 | C03 | 89.1° | 180.0° |
| O01 | C01 | C02 | H2 | 150.7° | 60.0° |
| O01 | C01 | C02 | H3 | 31.0° | 59.9° |
| C01 | C02 | C03 | H2 | 120.2° | 119.9° |
| C01 | C02 | C03 | H3 | 120.1° | 120.0° |
| C01 | C02 | C03 | S01 | 159.4° | 180.0° |
| C02 | C01 | O01 | H1 | 177.1° | 180.0° |
| C01 | C02 | H2 | H3 | 119.5° | 120.0° |
| C01 | C02 | C03 | H4 | 80.3° | 60.0° |
| C01 | C02 | C03 | H5 | 39.1° | 60.0° |
| C02 | C03 | S01 | H4 | 120.3° | 119.9° |
| C02 | C03 | S01 | H5 | 120.3° | 120.0° |
| C02 | C03 | S01 | O03 | 82.4° | 56.5° |
| C02 | C03 | S01 | C05 | 152.2° | 180.0° |
| C02 | C03 | S01 | C04 | 28.3° | 67.0° |
| C03 | C02 | H2 | H3 | 119.5° | 120.0° |
| C02 | C03 | H4 | H5 | 119.1° | 120.0° |
| C03 | S01 | O03 | C05 | 122.7° | 120.0° |
| C03 | S01 | O03 | C04 | 109.1° | 120.0° |
| C03 | S01 | C05 | C04 | 114.5° | 113.0° |
| S01 | C03 | C02 | H2 | 39.2° | 60.1° |
| S01 | C03 | C02 | H3 | 80.5° | 59.9° |
| S01 | C03 | H4 | H5 | 119.2° | 120.0° |
| C03 | S01 | C04 | H6 | 180.0° | 56.5° |
| C03 | S01 | C04 | H7 | 60.0° | 176.5° |
| C03 | S01 | C04 | H8 | 60.0° | 63.5° |
| C03 | S01 | C05 | H9 | 180.0° | 60.0° |
| C03 | S01 | C05 | H10 | 60.0° | 180.0° |
| C03 | S01 | C05 | H11 | 60.0° | 60.0° |
| O03 | S01 | C05 | C04 | 121.5° | 123.5° |
| O03 | S01 | C03 | H4 | 157.3° | 176.5° |
| O03 | S01 | C03 | H5 | 37.8° | 63.5° |
| O03 | S01 | C04 | H6 | 64.3° | 180.0° |
| O03 | S01 | C04 | H7 | 55.6° | 60.0° |
| O03 | S01 | C04 | H8 | 175.6° | 60.0° |
| O03 | S01 | C05 | H9 | 56.0° | 63.5° |
| O03 | S01 | C05 | H10 | 176.1° | 56.5° |
| O03 | S01 | C05 | H11 | 64.0° | 176.4° |
| C05 | S01 | C03 | H4 | 31.9° | 60.0° |
| C05 | S01 | C03 | H5 | 87.5° | 60.0° |
| C05 | S01 | C04 | H6 | 61.8° | 56.4° |
| C05 | S01 | C04 | H7 | 178.3° | 63.5° |
| C05 | S01 | C04 | H8 | 58.3° | 176.5° |
| S01 | C05 | H9 | H10 | 120.0° | 120.0° |
| S01 | C05 | H9 | H11 | 120.0° | 120.0° |
| S01 | C05 | H10 | H11 | 120.0° | 120.0° |
| C04 | S01 | C03 | H4 | 92.0° | 52.9° |
| C04 | S01 | C03 | H5 | 148.5° | 173.0° |
| S01 | C04 | H6 | H7 | 120.0° | 120.0° |
| S01 | C04 | H6 | H8 | 120.0° | 120.1° |
| S01 | C04 | H7 | H8 | 120.0° | 120.1° |
| C04 | S01 | C05 | H9 | 65.5° | 173.0° |
| C04 | S01 | C05 | H10 | 54.6° | 67.0° |
| C04 | S01 | C05 | H11 | 174.5° | 52.9° |
| H2 | C02 | C03 | H4 | 159.5° | 180.0° |
| H2 | C02 | C03 | H5 | 81.1° | 60.0° |
| H3 | C02 | C03 | H4 | 39.8° | 60.0° |
| H3 | C02 | C03 | H5 | 159.2° | 180.0° |
| H6 | C04 | H7 | H8 | 120.0° | 119.9° |
| H9 | C05 | H10 | H11 | 120.0° | 120.0° |
