UZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | N03 | sing | 1.42Å | 1.42Å | |
| N03 | C02 | sing | 1.35Å | 1.42Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | C05 | sing | 1.51Å | 1.54Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C09 | S10 | 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 | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| N03 | H11 | sing | 0.97Å | 1.00Å | |
| O04 | H12 | sing | 0.97Å | 0.95Å | |
| S10 | H13 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | N03 | C02 | 117.8° | 120.0° |
| O04 | N03 | H11 | 121.1° | 120.0° |
| N03 | O04 | H12 | 109.5° | 114.0° |
| N03 | C02 | O01 | 117.8° | 120.0° |
| N03 | C02 | C05 | 117.8° | 120.0° |
| C02 | N03 | H11 | 121.1° | 120.0° |
| O01 | C02 | C05 | 124.4° | 120.0° |
| C02 | C05 | C06 | 108.7° | 109.4° |
| C02 | C05 | H1 | 109.7° | 109.5° |
| C02 | C05 | H2 | 109.7° | 109.4° |
| C05 | C06 | C07 | 110.0° | 109.5° |
| C06 | C05 | H1 | 109.7° | 109.5° |
| C06 | C05 | H2 | 109.7° | 109.5° |
| C05 | C06 | H3 | 109.4° | 109.5° |
| C05 | C06 | H4 | 109.3° | 109.5° |
| C06 | C07 | C08 | 114.6° | 109.5° |
| C07 | C06 | H3 | 109.3° | 109.5° |
| C07 | C06 | H4 | 109.4° | 109.4° |
| C06 | C07 | H5 | 108.2° | 109.5° |
| C06 | C07 | H6 | 108.2° | 109.4° |
| C07 | C08 | C09 | 112.1° | 109.5° |
| C08 | C07 | H5 | 108.2° | 109.5° |
| C08 | C07 | H6 | 108.2° | 109.5° |
| C07 | C08 | H7 | 108.8° | 109.5° |
| C07 | C08 | H8 | 108.8° | 109.5° |
| C08 | C09 | S10 | 110.7° | 109.5° |
| C09 | C08 | H7 | 108.8° | 109.5° |
| C09 | C08 | H8 | 108.8° | 109.4° |
| C08 | C09 | H9 | 109.1° | 109.5° |
| C08 | C09 | H10 | 109.2° | 109.5° |
| S10 | C09 | H9 | 109.2° | 109.5° |
| S10 | C09 | H10 | 109.2° | 109.4° |
| C09 | S10 | H13 | 102.0° | 103.0° |
| H1 | C05 | H2 | 109.4° | 109.5° |
| H3 | C06 | H4 | 109.5° | 109.4° |
| H5 | C07 | H6 | 109.5° | 109.4° |
| H7 | C08 | H8 | 109.5° | 109.4° |
| H9 | C09 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | N03 | C02 | H11 | 180.0° | 179.9° |
| O04 | N03 | C02 | O01 | 2.1° | 0.3° |
| O04 | N03 | C02 | C05 | 176.7° | 180.0° |
| N03 | C02 | O01 | C05 | 178.7° | 179.7° |
| N03 | C02 | C05 | C06 | 114.8° | 180.0° |
| N03 | C02 | C05 | H1 | 5.1° | 60.0° |
| N03 | C02 | C05 | H2 | 125.3° | 60.0° |
| C02 | N03 | O04 | H12 | 1.0° | 180.0° |
| O01 | C02 | C05 | C06 | 63.9° | 0.3° |
| O01 | C02 | C05 | H1 | 176.1° | 119.7° |
| O01 | C02 | C05 | H2 | 56.0° | 120.3° |
| O01 | C02 | N03 | H11 | 177.9° | 179.8° |
| C02 | C05 | C06 | H1 | 119.9° | 120.0° |
| C02 | C05 | C06 | H2 | 119.9° | 119.9° |
| C02 | C05 | C06 | C07 | 70.3° | 180.0° |
| C02 | C05 | H1 | H2 | 120.3° | 120.0° |
| C02 | C05 | C06 | H3 | 49.8° | 60.0° |
| C02 | C05 | C06 | H4 | 169.6° | 60.0° |
| C05 | C02 | N03 | H11 | 3.3° | 0.1° |
| C05 | C06 | C07 | H3 | 120.1° | 120.1° |
| C05 | C06 | C07 | H4 | 120.1° | 120.0° |
| C05 | C06 | C07 | C08 | 172.3° | 180.0° |
| C06 | C05 | H1 | H2 | 120.3° | 120.1° |
| C05 | C06 | H3 | H4 | 119.8° | 120.0° |
| C05 | C06 | C07 | H5 | 51.6° | 59.9° |
| C05 | C06 | C07 | H6 | 67.0° | 60.0° |
| C06 | C07 | C08 | H5 | 120.7° | 120.0° |
| C06 | C07 | C08 | H6 | 120.7° | 120.0° |
| C06 | C07 | C08 | C09 | 163.8° | 180.0° |
| C07 | C06 | C05 | H1 | 169.8° | 60.0° |
| C07 | C06 | C05 | H2 | 49.6° | 60.1° |
| C07 | C06 | H3 | H4 | 119.8° | 119.9° |
| C06 | C07 | H5 | H6 | 117.7° | 119.9° |
| C06 | C07 | C08 | H7 | 43.5° | 59.9° |
| C06 | C07 | C08 | H8 | 75.8° | 60.0° |
| C07 | C08 | C09 | H7 | 120.4° | 120.1° |
| C07 | C08 | C09 | H8 | 120.4° | 120.0° |
| C07 | C08 | C09 | S10 | 51.1° | 180.0° |
| C08 | C07 | C06 | H3 | 67.6° | 59.9° |
| C08 | C07 | C06 | H4 | 52.2° | 60.0° |
| C08 | C07 | H5 | H6 | 117.7° | 120.0° |
| C07 | C08 | H7 | H8 | 118.8° | 120.0° |
| C07 | C08 | C09 | H9 | 69.1° | 60.0° |
| C07 | C08 | C09 | H10 | 171.3° | 60.0° |
| C08 | C09 | S10 | H9 | 120.2° | 120.1° |
| C08 | C09 | S10 | H10 | 120.2° | 120.0° |
| C09 | C08 | C07 | H5 | 75.4° | 60.0° |
| C09 | C08 | C07 | H6 | 43.1° | 60.0° |
| C09 | C08 | H7 | H8 | 118.8° | 119.9° |
| C08 | C09 | H9 | H10 | 119.4° | 120.0° |
| C08 | C09 | S10 | H13 | 180.0° | 180.0° |
| S10 | C09 | C08 | H7 | 171.5° | 59.9° |
| S10 | C09 | C08 | H8 | 69.3° | 60.0° |
| S10 | C09 | H9 | H10 | 119.4° | 119.9° |
| H1 | C05 | C06 | H3 | 70.1° | 180.0° |
| H1 | C05 | C06 | H4 | 49.7° | 59.9° |
| H2 | C05 | C06 | H3 | 169.7° | 59.9° |
| H2 | C05 | C06 | H4 | 70.5° | 180.0° |
| H3 | C06 | C07 | H5 | 171.6° | NaN° |
| H3 | C06 | C07 | H6 | 53.1° | 60.1° |
| H4 | C06 | C07 | H5 | 68.5° | 60.1° |
| H4 | C06 | C07 | H6 | 172.9° | 180.0° |
| H5 | C07 | C08 | H7 | 164.2° | 180.0° |
| H5 | C07 | C08 | H8 | 45.0° | 60.0° |
| H6 | C07 | C08 | H7 | 77.3° | 60.0° |
| H6 | C07 | C08 | H8 | 163.5° | NaN° |
| H7 | C08 | C09 | H9 | 51.3° | 179.9° |
| H7 | C08 | C09 | H10 | 68.3° | 60.1° |
| H8 | C08 | C09 | H9 | 170.5° | 60.0° |
| H8 | C08 | C09 | H10 | 50.9° | 180.0° |
| H9 | C09 | S10 | H13 | 59.8° | 59.9° |
| H10 | C09 | S10 | H13 | 59.8° | 60.0° |
| H11 | N03 | O04 | H12 | 179.0° | 0.1° |
