UZV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | N03 | sing | 1.42Å | 1.40Å | |
| N03 | C02 | sing | 1.35Å | 1.43Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | C05 | sing | 1.51Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| S09 | C08 | sing | 1.81Å | 1.81Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| N03 | H9 | sing | 0.97Å | 1.00Å | |
| O04 | H10 | sing | 0.97Å | 0.95Å | |
| S09 | H11 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | N03 | C02 | 117.7° | 120.0° |
| O04 | N03 | H9 | 121.2° | 120.0° |
| N03 | O04 | H10 | 109.5° | 114.0° |
| N03 | C02 | O01 | 119.4° | 120.0° |
| N03 | C02 | C05 | 118.8° | 120.0° |
| C02 | N03 | H9 | 121.1° | 120.0° |
| O01 | C02 | C05 | 121.8° | 120.0° |
| C02 | C05 | C06 | 113.4° | 109.4° |
| C02 | C05 | H1 | 108.5° | 109.5° |
| C02 | C05 | H2 | 108.5° | 109.4° |
| C05 | C06 | C07 | 110.3° | 109.4° |
| C06 | C05 | H1 | 108.5° | 109.5° |
| C06 | C05 | H2 | 108.5° | 109.5° |
| C05 | C06 | H3 | 109.3° | 109.5° |
| C05 | C06 | H4 | 109.3° | 109.5° |
| C06 | C07 | C08 | 109.2° | 109.5° |
| C07 | C06 | H3 | 109.3° | 109.4° |
| C07 | C06 | H4 | 109.3° | 109.5° |
| C06 | C07 | H5 | 109.6° | 109.5° |
| C06 | C07 | H6 | 109.6° | 109.5° |
| C07 | C08 | S09 | 111.2° | 109.5° |
| C08 | C07 | H5 | 109.5° | 109.4° |
| C08 | C07 | H6 | 109.6° | 109.5° |
| C07 | C08 | H7 | 109.1° | 109.4° |
| C07 | C08 | H8 | 109.0° | 109.5° |
| S09 | C08 | H7 | 109.1° | 109.5° |
| S09 | C08 | H8 | 109.1° | 109.5° |
| C08 | S09 | H11 | 102.0° | 103.0° |
| H1 | C05 | H2 | 109.5° | 109.5° |
| H3 | C06 | H4 | 109.4° | 109.5° |
| H5 | C07 | H6 | 109.4° | 109.4° |
| H7 | C08 | H8 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | N03 | C02 | H9 | 180.0° | 180.0° |
| O04 | N03 | C02 | O01 | 0.9° | 0.3° |
| O04 | N03 | C02 | C05 | 179.1° | 180.0° |
| N03 | C02 | O01 | C05 | 180.0° | 179.7° |
| N03 | C02 | C05 | C06 | 96.6° | 180.0° |
| N03 | C02 | C05 | H1 | 24.0° | 60.0° |
| N03 | C02 | C05 | H2 | 142.8° | 60.0° |
| C02 | N03 | O04 | H10 | 0.4° | 180.0° |
| O01 | C02 | C05 | C06 | 83.4° | 0.3° |
| O01 | C02 | C05 | H1 | 156.0° | 119.7° |
| O01 | C02 | C05 | H2 | 37.2° | 120.3° |
| O01 | C02 | N03 | H9 | 179.1° | 179.7° |
| C02 | C05 | C06 | H1 | 120.6° | 120.0° |
| C02 | C05 | C06 | H2 | 120.6° | 119.9° |
| C02 | C05 | C06 | C07 | 79.4° | 180.0° |
| C02 | C05 | H1 | H2 | 118.2° | 120.0° |
| C02 | C05 | C06 | H3 | 40.7° | 60.0° |
| C02 | C05 | C06 | H4 | 160.5° | 60.1° |
| C05 | C02 | N03 | H9 | 0.9° | 0.0° |
| C05 | C06 | C07 | H3 | 120.1° | 120.0° |
| C05 | C06 | C07 | H4 | 120.1° | 120.0° |
| C05 | C06 | C07 | C08 | 32.7° | 180.0° |
| C06 | C05 | H1 | H2 | 118.2° | 120.0° |
| C05 | C06 | H3 | H4 | 119.6° | 120.1° |
| C05 | C06 | C07 | H5 | 87.3° | 60.0° |
| C05 | C06 | C07 | H6 | 152.7° | 60.0° |
| C06 | C07 | C08 | H5 | 120.0° | 120.0° |
| C06 | C07 | C08 | H6 | 120.0° | 120.1° |
| C06 | C07 | C08 | S09 | 153.6° | 180.0° |
| C07 | C06 | C05 | H1 | 160.0° | 60.0° |
| C07 | C06 | C05 | H2 | 41.2° | 60.0° |
| C07 | C06 | H3 | H4 | 119.6° | 120.0° |
| C06 | C07 | H5 | H6 | 120.1° | 120.1° |
| C06 | C07 | C08 | H7 | 86.1° | 60.0° |
| C06 | C07 | C08 | H8 | 33.3° | 59.9° |
| C07 | C08 | S09 | H7 | 120.3° | 120.0° |
| C07 | C08 | S09 | H8 | 120.3° | 120.1° |
| C08 | C07 | C06 | H3 | 152.8° | 60.0° |
| C08 | C07 | C06 | H4 | 87.5° | 60.0° |
| C08 | C07 | H5 | H6 | 120.1° | 119.9° |
| C07 | C08 | H7 | H8 | 119.2° | 120.0° |
| C07 | C08 | S09 | H11 | 180.0° | 180.0° |
| S09 | C08 | C07 | H5 | 33.7° | 60.0° |
| S09 | C08 | C07 | H6 | 86.4° | 59.9° |
| S09 | C08 | H7 | H8 | 119.2° | 120.0° |
| H1 | C05 | C06 | H3 | 79.8° | 180.0° |
| H1 | C05 | C06 | H4 | 39.9° | 60.0° |
| H2 | C05 | C06 | H3 | 161.3° | 59.9° |
| H2 | C05 | C06 | H4 | 79.0° | 180.0° |
| H3 | C06 | C07 | H5 | 32.8° | 180.0° |
| H3 | C06 | C07 | H6 | 87.2° | 60.0° |
| H4 | C06 | C07 | H5 | 152.6° | 60.0° |
| H4 | C06 | C07 | H6 | 32.5° | 180.0° |
| H5 | C07 | C08 | H7 | 153.9° | 180.0° |
| H5 | C07 | C08 | H8 | 86.6° | 60.1° |
| H6 | C07 | C08 | H7 | 33.9° | 60.1° |
| H6 | C07 | C08 | H8 | 153.3° | 180.0° |
| H7 | C08 | S09 | H11 | 59.7° | 60.0° |
| H8 | C08 | S09 | H11 | 59.7° | 59.9° |
| H9 | N03 | O04 | H10 | 179.6° | 0.0° |
