2LY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | O09 | sing | 1.43Å | 1.38Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| O09 | C06 | sing | 1.38Å | 1.37Å | |
| C06 | C05 | sing | 1.40Å | 1.44Å | Aromatic |
| C06 | C07 | doub | 1.34Å | 1.51Å | Aromatic |
| O12 | C05 | sing | 1.38Å | 1.46Å | |
| O12 | C11 | sing | 1.43Å | 1.46Å | |
| C05 | C04 | doub | 1.37Å | 1.48Å | Aromatic |
| C07 | S08 | sing | 1.76Å | 1.63Å | Aromatic |
| N02 | C01 | sing | 1.46Å | 1.44Å | |
| N02 | C03 | sing | 1.35Å | 1.47Å | |
| C04 | S08 | sing | 1.76Å | 1.63Å | Aromatic |
| C04 | C03 | sing | 1.42Å | 1.46Å | |
| C03 | O13 | doub | 1.22Å | 1.22Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N02 | H4 | sing | 0.97Å | 1.00Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C10 | C11 | 119.3° | 109.2° |
| C10 | O09 | C06 | 119.2° | 114.4° |
| O09 | C10 | H6 | 107.0° | 109.5° |
| O09 | C10 | H7 | 107.0° | 109.6° |
| C10 | C11 | O12 | 115.5° | 109.1° |
| C11 | C10 | H6 | 106.9° | 109.5° |
| C11 | C10 | H7 | 106.9° | 109.5° |
| C10 | C11 | H8 | 107.9° | 109.5° |
| C10 | C11 | H9 | 107.9° | 109.5° |
| O09 | C06 | C05 | 121.3° | 121.3° |
| O09 | C06 | C07 | 128.7° | 124.1° |
| C05 | C06 | C07 | 110.1° | 114.5° |
| C06 | C05 | O12 | 122.7° | 121.7° |
| C06 | C05 | C04 | 109.7° | 113.8° |
| C06 | C07 | S08 | 110.4° | 110.7° |
| C06 | C07 | H5 | 124.8° | 124.7° |
| C05 | O12 | C11 | 113.8° | 114.5° |
| O12 | C05 | C04 | 127.6° | 124.5° |
| O12 | C11 | H8 | 107.9° | 109.5° |
| O12 | C11 | H9 | 107.9° | 109.6° |
| C05 | C04 | S08 | 112.0° | 109.8° |
| C05 | C04 | C03 | 123.1° | 125.1° |
| C07 | S08 | C04 | 97.8° | 91.2° |
| S08 | C07 | H5 | 124.8° | 124.7° |
| C01 | N02 | C03 | 116.2° | 120.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.4° | 109.4° |
| C01 | N02 | H4 | 121.9° | 120.1° |
| N02 | C03 | C04 | 119.2° | 120.0° |
| N02 | C03 | O13 | 124.1° | 120.0° |
| C03 | N02 | H4 | 121.9° | 120.0° |
| S08 | C04 | C03 | 124.8° | 125.1° |
| C04 | C03 | O13 | 116.6° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.6° |
| H8 | C11 | H9 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C10 | C11 | H6 | 121.4° | 119.9° |
| O09 | C10 | C11 | H7 | 121.4° | 120.0° |
| C10 | O09 | C06 | C05 | 2.8° | 16.6° |
| C10 | O09 | C06 | C07 | 177.8° | 163.2° |
| O09 | C10 | C11 | O12 | 34.4° | 62.3° |
| O09 | C10 | H6 | H7 | 115.6° | 120.2° |
| O09 | C10 | C11 | H8 | 86.5° | 57.6° |
| O09 | C10 | C11 | H9 | 155.3° | 177.8° |
| C11 | C10 | O09 | C06 | 20.4° | 46.6° |
| C10 | C11 | O12 | C05 | 28.9° | 46.4° |
| C10 | C11 | O12 | H8 | 120.9° | 119.9° |
| C10 | C11 | O12 | H9 | 120.9° | 119.9° |
| C11 | C10 | H6 | H7 | 115.5° | 120.1° |
| C10 | C11 | H8 | H9 | 117.2° | 120.2° |
| O09 | C06 | C05 | C07 | 179.5° | 179.8° |
| O09 | C06 | C05 | O12 | 1.0° | 0.4° |
| O09 | C06 | C05 | C04 | 178.9° | 179.7° |
| O09 | C06 | C07 | S08 | 179.9° | 179.8° |
| O09 | C06 | C07 | H5 | 0.1° | 0.4° |
| C06 | O09 | C10 | H6 | 141.8° | 166.4° |
| C06 | O09 | C10 | H7 | 101.0° | 73.3° |
| C06 | C05 | O12 | C04 | 177.5° | 179.9° |
| C06 | C05 | O12 | C11 | 13.1° | 16.5° |
| C05 | C06 | C07 | S08 | 0.6° | 0.0° |
| C06 | C05 | C04 | S08 | 1.6° | 0.1° |
| C06 | C05 | C04 | C03 | 179.0° | 179.8° |
| C05 | C06 | C07 | H5 | 179.4° | 179.9° |
| C07 | C06 | C05 | O12 | 178.5° | 179.8° |
| C07 | C06 | C05 | C04 | 0.6° | 0.1° |
| C06 | C07 | S08 | H5 | 180.0° | 179.9° |
| C06 | C07 | S08 | C04 | 1.4° | 0.0° |
| O12 | C05 | C04 | S08 | 179.4° | 179.8° |
| O12 | C05 | C04 | C03 | 3.2° | 0.1° |
| C05 | O12 | C11 | H8 | 92.0° | 73.4° |
| C05 | O12 | C11 | H9 | 149.7° | 166.4° |
| C11 | O12 | C05 | C04 | 164.4° | 163.4° |
| O12 | C11 | C10 | H6 | 155.8° | 177.8° |
| O12 | C11 | C10 | H7 | 87.0° | 57.7° |
| O12 | C11 | H8 | H9 | 117.2° | 120.2° |
| C05 | C04 | S08 | C07 | 1.8° | 0.1° |
| C05 | C04 | C03 | N02 | 3.8° | 179.7° |
| C05 | C04 | S08 | C03 | 177.3° | 179.7° |
| C05 | C04 | C03 | O13 | 178.8° | 0.4° |
| C07 | S08 | C04 | C03 | 179.1° | 179.7° |
| C01 | N02 | C03 | H4 | 180.0° | 180.0° |
| C01 | N02 | C03 | C04 | 178.1° | 180.0° |
| C01 | N02 | C03 | O13 | 0.9° | 0.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 119.9° |
| N02 | C03 | C04 | S08 | 173.3° | 0.1° |
| N02 | C03 | C04 | O13 | 177.5° | 180.0° |
| C03 | N02 | C01 | H1 | 180.0° | 60.0° |
| C03 | N02 | C01 | H2 | 60.0° | 60.0° |
| C03 | N02 | C01 | H3 | 60.0° | 180.0° |
| S08 | C04 | C03 | O13 | 4.2° | 180.0° |
| C04 | S08 | C07 | H5 | 178.6° | 179.9° |
| C04 | C03 | N02 | H4 | 1.9° | 0.0° |
| O13 | C03 | N02 | H4 | 179.1° | 179.9° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | N02 | H4 | 0.0° | 120.0° |
| H2 | C01 | N02 | H4 | 120.0° | 119.9° |
| H3 | C01 | N02 | H4 | 120.0° | 0.0° |
| H6 | C10 | C11 | H8 | 34.9° | 62.3° |
| H6 | C10 | C11 | H9 | 83.3° | 57.9° |
| H7 | C10 | C11 | H8 | 152.1° | 177.6° |
| H7 | C10 | C11 | H9 | 33.9° | 62.3° |
