9YR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | O06 | sing | 1.45Å | 1.41Å | |
| O06 | C05 | sing | 1.35Å | 1.41Å | |
| O08 | C05 | doub | 1.22Å | 1.19Å | |
| C05 | C04 | sing | 1.46Å | 1.54Å | |
| C04 | S09 | sing | 1.76Å | 1.69Å | Aromatic |
| C04 | C03 | doub | 1.37Å | 1.40Å | Aromatic |
| S09 | C10 | sing | 1.71Å | 1.69Å | Aromatic |
| O12 | S02 | doub | 1.42Å | 1.50Å | |
| C03 | S02 | sing | 1.76Å | 1.80Å | |
| C03 | C11 | sing | 1.37Å | 1.43Å | Aromatic |
| S02 | O01 | doub | 1.42Å | 1.51Å | |
| S02 | O13 | sing | 1.52Å | 1.51Å | |
| C10 | C11 | doub | 1.34Å | 1.40Å | Aromatic |
| C07 | H1 | sing | 1.09Å | 1.10Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å | |
| C07 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| O13 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | O06 | C05 | 115.8° | 117.0° |
| O06 | C07 | H1 | 109.5° | 109.5° |
| O06 | C07 | H2 | 109.5° | 109.5° |
| O06 | C07 | H3 | 109.5° | 109.5° |
| O06 | C05 | O08 | 119.1° | 120.0° |
| O06 | C05 | C04 | 120.6° | 120.0° |
| O08 | C05 | C04 | 120.3° | 120.0° |
| C05 | C04 | S09 | 127.0° | 125.5° |
| C05 | C04 | C03 | 129.1° | 125.5° |
| S09 | C04 | C03 | 103.9° | 109.0° |
| C04 | S09 | C10 | 101.0° | 91.6° |
| C04 | C03 | S02 | 123.9° | 123.4° |
| C04 | C03 | C11 | 116.0° | 113.3° |
| S09 | C10 | C11 | 105.2° | 111.0° |
| S09 | C10 | H4 | 127.4° | 124.5° |
| O12 | S02 | C03 | 110.0° | 106.4° |
| O12 | S02 | O01 | 110.8° | 123.1° |
| O12 | S02 | O13 | 117.2° | 106.4° |
| S02 | C03 | C11 | 120.0° | 123.4° |
| C03 | S02 | O01 | 105.0° | 106.4° |
| C03 | S02 | O13 | 110.9° | 107.3° |
| C03 | C11 | C10 | 113.8° | 115.1° |
| C03 | C11 | H5 | 123.1° | 122.4° |
| O01 | S02 | O13 | 102.1° | 106.4° |
| S02 | O13 | H6 | 109.5° | 114.0° |
| C11 | C10 | H4 | 127.4° | 124.5° |
| C10 | C11 | H5 | 123.1° | 122.5° |
| H1 | C07 | H2 | 109.4° | 109.4° |
| H1 | C07 | H3 | 109.5° | 109.4° |
| H2 | C07 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | O06 | C05 | O08 | 8.8° | 0.0° |
| C07 | O06 | C05 | C04 | 170.2° | 180.0° |
| O06 | C07 | H1 | H2 | 120.0° | 120.0° |
| O06 | C07 | H1 | H3 | 120.0° | 120.0° |
| O06 | C07 | H2 | H3 | 120.0° | 120.1° |
| O06 | C05 | O08 | C04 | 179.0° | 180.0° |
| O06 | C05 | C04 | S09 | 14.5° | 0.0° |
| O06 | C05 | C04 | C03 | 165.5° | 179.9° |
| C05 | O06 | C07 | H1 | 180.0° | 60.0° |
| C05 | O06 | C07 | H2 | 60.0° | 180.0° |
| C05 | O06 | C07 | H3 | 60.0° | 60.0° |
| O08 | C05 | C04 | S09 | 164.4° | 180.0° |
| O08 | C05 | C04 | C03 | 15.6° | 0.0° |
| C05 | C04 | S09 | C03 | 180.0° | 179.9° |
| C05 | C04 | S09 | C10 | 179.8° | 179.9° |
| C05 | C04 | C03 | S02 | 2.7° | 0.1° |
| C05 | C04 | C03 | C11 | 179.6° | 179.8° |
| S09 | C04 | C03 | S02 | 177.3° | 180.0° |
| S09 | C04 | C03 | C11 | 0.4° | 0.3° |
| C04 | S09 | C10 | C11 | 0.6° | 0.0° |
| C04 | S09 | C10 | H4 | 179.3° | 179.8° |
| C03 | C04 | S09 | C10 | 0.2° | 0.2° |
| C04 | C03 | S02 | O12 | 27.0° | 96.8° |
| C04 | C03 | S02 | C11 | 176.8° | 179.7° |
| C04 | C03 | S02 | O01 | 92.2° | 36.1° |
| C04 | C03 | S02 | O13 | 158.3° | 149.7° |
| C04 | C03 | C11 | C10 | 0.9° | 0.3° |
| C04 | C03 | C11 | H5 | 179.1° | 179.7° |
| S09 | C10 | C11 | C03 | 0.9° | 0.1° |
| S09 | C10 | C11 | H4 | 180.0° | 179.9° |
| S09 | C10 | C11 | H5 | 179.1° | 179.8° |
| O12 | S02 | C03 | O01 | 119.2° | 132.9° |
| O12 | S02 | C03 | O13 | 131.3° | 113.6° |
| O12 | S02 | C03 | C11 | 156.2° | 83.6° |
| O12 | S02 | O01 | O13 | 125.5° | 122.9° |
| O12 | S02 | O13 | H6 | 121.1° | 66.4° |
| C03 | S02 | O01 | O13 | 115.8° | 114.1° |
| S02 | C03 | C11 | C10 | 178.0° | 180.0° |
| S02 | C03 | C11 | H5 | 2.1° | 0.0° |
| C03 | S02 | O13 | H6 | 111.4° | 180.0° |
| C11 | C03 | S02 | O01 | 84.6° | 143.5° |
| C11 | C03 | S02 | O13 | 24.9° | 30.0° |
| C03 | C11 | C10 | H5 | 180.0° | 179.9° |
| C03 | C11 | C10 | H4 | 179.0° | 180.0° |
| O01 | S02 | O13 | H6 | 0.0° | 66.4° |
| H1 | C07 | H2 | H3 | 120.0° | 119.9° |
| H4 | C10 | C11 | H5 | 0.9° | 0.0° |
