UHZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | S10 | sing | 1.81Å | 1.82Å | |
| O16 | N02 | doub | 1.22Å | 1.42Å | |
| S10 | O09 | sing | 1.52Å | 1.66Å | |
| S10 | O13 | doub | 1.42Å | 1.50Å | |
| S10 | O11 | doub | 1.42Å | 1.50Å | |
| O09 | C08 | sing | 1.36Å | 1.43Å | |
| N02 | O01 | sing | 1.22Å | 1.15Å | |
| N02 | C03 | sing | 1.48Å | 1.46Å | |
| C08 | C03 | doub | 1.39Å | 1.37Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.36Å | Aromatic |
| C06 | C14 | sing | 1.47Å | 1.51Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | O1 | doub | 1.21Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | S10 | O09 | 109.7° | 104.4° |
| C12 | S10 | O13 | 110.9° | 110.5° |
| C12 | S10 | O11 | 111.1° | 110.5° |
| S10 | C12 | H4 | 109.5° | 109.5° |
| S10 | C12 | H5 | 109.5° | 109.5° |
| S10 | C12 | H6 | 109.5° | 109.5° |
| O16 | N02 | O01 | 120.0° | 120.0° |
| O16 | N02 | C03 | 120.3° | 120.0° |
| O09 | S10 | O13 | 111.5° | 104.3° |
| O09 | S10 | O11 | 111.2° | 104.2° |
| S10 | O09 | C08 | 117.7° | 114.0° |
| O13 | S10 | O11 | 102.3° | 121.1° |
| O09 | C08 | C03 | 120.6° | 119.9° |
| O09 | C08 | C07 | 119.6° | 120.0° |
| O01 | N02 | C03 | 119.7° | 120.0° |
| N02 | C03 | C08 | 120.9° | 119.9° |
| N02 | C03 | C04 | 119.2° | 119.8° |
| C03 | C08 | C07 | 119.8° | 120.1° |
| C08 | C03 | C04 | 119.9° | 120.3° |
| C08 | C07 | C06 | 119.8° | 119.7° |
| C08 | C07 | H3 | 120.1° | 120.1° |
| C03 | C04 | C05 | 119.9° | 120.2° |
| C03 | C04 | H1 | 120.0° | 119.9° |
| C07 | C06 | C05 | 120.4° | 119.8° |
| C07 | C06 | C14 | 119.8° | 120.1° |
| C06 | C07 | H3 | 120.1° | 120.2° |
| C04 | C05 | C06 | 120.1° | 119.9° |
| C05 | C04 | H1 | 120.1° | 119.9° |
| C04 | C05 | H2 | 119.9° | 120.0° |
| C05 | C06 | C14 | 119.8° | 120.1° |
| C06 | C05 | H2 | 119.9° | 120.1° |
| C06 | C14 | H7 | 120.7° | 120.0° |
| C06 | C14 | O1 | 118.5° | 120.0° |
| H4 | C12 | H5 | 109.4° | 109.5° |
| H4 | C12 | H6 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.4° |
| H7 | C14 | O1 | 120.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | S10 | O09 | O13 | 123.3° | 116.1° |
| C12 | S10 | O09 | O11 | 123.3° | 116.0° |
| C12 | S10 | O13 | O11 | 118.6° | 131.5° |
| C12 | S10 | O09 | C08 | 147.0° | 75.0° |
| S10 | C12 | H4 | H5 | 120.0° | 120.0° |
| S10 | C12 | H4 | H6 | 120.0° | 120.0° |
| S10 | C12 | H5 | H6 | 120.0° | 120.0° |
| O16 | N02 | O01 | C03 | 179.5° | 180.0° |
| O16 | N02 | C03 | C08 | 18.6° | 0.2° |
| O16 | N02 | C03 | C04 | 161.2° | 180.0° |
| O09 | S10 | O13 | O11 | 118.9° | 116.7° |
| S10 | O09 | C08 | C03 | 101.0° | 90.1° |
| S10 | O09 | C08 | C07 | 79.5° | 90.0° |
| O09 | S10 | C12 | H4 | 180.0° | 60.0° |
| O09 | S10 | C12 | H5 | 60.0° | 180.0° |
| O09 | S10 | C12 | H6 | 60.0° | 60.0° |
| O13 | S10 | O09 | C08 | 89.8° | 169.0° |
| O13 | S10 | C12 | H4 | 56.4° | 51.6° |
| O13 | S10 | C12 | H5 | 176.4° | 68.4° |
| O13 | S10 | C12 | H6 | 63.6° | 171.7° |
| O11 | S10 | O09 | C08 | 23.7° | 41.1° |
| O11 | S10 | C12 | H4 | 56.7° | 171.6° |
| O11 | S10 | C12 | H5 | 63.3° | 68.4° |
| O11 | S10 | C12 | H6 | 176.7° | 51.6° |
| O09 | C08 | C03 | N02 | 0.5° | 0.2° |
| O09 | C08 | C03 | C07 | 179.5° | 179.9° |
| O09 | C08 | C03 | C04 | 179.7° | 179.9° |
| O09 | C08 | C07 | C06 | 179.8° | 179.9° |
| O09 | C08 | C07 | H3 | 0.2° | 0.1° |
| O01 | N02 | C03 | C08 | 161.9° | 179.8° |
| O01 | N02 | C03 | C04 | 18.3° | 0.0° |
| N02 | C03 | C08 | C04 | 179.8° | 179.8° |
| N02 | C03 | C08 | C07 | 180.0° | 179.7° |
| N02 | C03 | C04 | C05 | 180.0° | 179.7° |
| N02 | C03 | C04 | H1 | 0.0° | 0.3° |
| C03 | C08 | C07 | C06 | 0.3° | 0.0° |
| C08 | C03 | C04 | C05 | 0.2° | 0.0° |
| C08 | C03 | C04 | H1 | 179.8° | 179.9° |
| C03 | C08 | C07 | H3 | 179.7° | 180.0° |
| C07 | C08 | C03 | C04 | 0.2° | 0.1° |
| C08 | C07 | C06 | H3 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 0.4° | 0.0° |
| C08 | C07 | C06 | C14 | 179.9° | 179.9° |
| C03 | C04 | C05 | H1 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.4° | 0.0° |
| C03 | C04 | C05 | H2 | 179.6° | 179.9° |
| C07 | C06 | C05 | C04 | 0.5° | 0.0° |
| C07 | C06 | C05 | C14 | 179.6° | 179.9° |
| C07 | C06 | C05 | H2 | 179.5° | 179.9° |
| C07 | C06 | C14 | H7 | 1.4° | 180.0° |
| C07 | C06 | C14 | O1 | 178.6° | 0.1° |
| C04 | C05 | C06 | H2 | 180.0° | 179.9° |
| C04 | C05 | C06 | C14 | 179.9° | 180.0° |
| C06 | C05 | C04 | H1 | 179.6° | 179.9° |
| C05 | C06 | C07 | H3 | 179.6° | 180.0° |
| C05 | C06 | C14 | H7 | 179.0° | 0.0° |
| C05 | C06 | C14 | O1 | 1.0° | 180.0° |
| C14 | C06 | C05 | H2 | 0.1° | 0.0° |
| C14 | C06 | C07 | H3 | 0.0° | 0.0° |
| C06 | C14 | H7 | O1 | 180.0° | 180.0° |
| H1 | C04 | C05 | H2 | 0.4° | 0.0° |
| H4 | C12 | H5 | H6 | 120.0° | 120.0° |
