Y0S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | doub | 1.33Å | 1.39Å | Aromatic |
| C04 | S05 | sing | 1.76Å | 1.73Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | C06 | doub | 1.33Å | 1.38Å | Aromatic |
| S05 | C06 | sing | 1.76Å | 1.73Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.53Å | |
| O10 | C09 | doub | 1.22Å | 1.19Å | |
| C07 | N08 | sing | 1.46Å | 1.45Å | |
| C09 | N08 | sing | 1.35Å | 1.46Å | |
| C09 | C11 | sing | 1.48Å | 1.55Å | |
| C11 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| N08 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C04 | S05 | 107.2° | 109.6° |
| C04 | C03 | C02 | 113.6° | 114.9° |
| C04 | C03 | H6 | 123.2° | 122.5° |
| C03 | C04 | H7 | 126.4° | 125.2° |
| C04 | S05 | C06 | 95.9° | 91.0° |
| S05 | C04 | H7 | 126.4° | 125.2° |
| C03 | C02 | C01 | 122.2° | 122.6° |
| C03 | C02 | C06 | 117.4° | 114.9° |
| C02 | C03 | H6 | 123.2° | 122.5° |
| C01 | C02 | C06 | 120.5° | 122.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.4° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C06 | S05 | 105.8° | 109.6° |
| C02 | C06 | C07 | 127.0° | 125.2° |
| S05 | C06 | C07 | 127.2° | 125.2° |
| C06 | C07 | N08 | 107.5° | 109.5° |
| C06 | C07 | H8 | 110.0° | 109.5° |
| C06 | C07 | H9 | 110.0° | 109.5° |
| O10 | C09 | N08 | 116.6° | 120.0° |
| O10 | C09 | C11 | 121.7° | 120.0° |
| C07 | N08 | C09 | 117.8° | 120.0° |
| N08 | C07 | H8 | 110.0° | 109.4° |
| N08 | C07 | H9 | 109.9° | 109.4° |
| C07 | N08 | H13 | 121.1° | 120.0° |
| N08 | C09 | C11 | 121.7° | 120.0° |
| C09 | N08 | H13 | 121.1° | 120.0° |
| C09 | C11 | C16 | 120.1° | 120.1° |
| C09 | C11 | C12 | 121.2° | 120.2° |
| C16 | C11 | C12 | 118.6° | 119.7° |
| C11 | C16 | C15 | 120.8° | 119.8° |
| C11 | C16 | H12 | 119.6° | 120.1° |
| C11 | C12 | C13 | 120.7° | 119.9° |
| C11 | C12 | H10 | 119.7° | 120.1° |
| C16 | C15 | C14 | 120.1° | 120.2° |
| C16 | C15 | H2 | 119.9° | 119.9° |
| C15 | C16 | H12 | 119.6° | 120.1° |
| C12 | C13 | C14 | 120.1° | 120.2° |
| C12 | C13 | H1 | 119.9° | 119.9° |
| C13 | C12 | H10 | 119.7° | 120.1° |
| C15 | C14 | C13 | 119.6° | 120.2° |
| C14 | C15 | H2 | 119.9° | 119.9° |
| C15 | C14 | H11 | 120.2° | 119.9° |
| C14 | C13 | H1 | 119.9° | 119.9° |
| C13 | C14 | H11 | 120.2° | 119.9° |
| H3 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C04 | S05 | H7 | 180.0° | 180.0° |
| C04 | C03 | C02 | H6 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 179.5° | 180.0° |
| C04 | C03 | C02 | C06 | 0.3° | 0.3° |
| C03 | C04 | S05 | C06 | 0.4° | 0.1° |
| S05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C04 | S05 | C06 | C02 | 0.5° | 0.3° |
| C04 | S05 | C06 | C07 | 179.5° | 179.8° |
| S05 | C04 | C03 | H6 | 179.9° | 179.9° |
| C03 | C02 | C01 | C06 | 179.8° | 179.7° |
| C03 | C02 | C06 | S05 | 0.5° | 0.4° |
| C03 | C02 | C06 | C07 | 179.5° | 179.7° |
| C03 | C02 | C01 | H3 | 90.1° | 89.7° |
| C03 | C02 | C01 | H4 | 149.9° | 30.3° |
| C03 | C02 | C01 | H5 | 29.9° | 150.3° |
| C02 | C03 | C04 | H7 | 179.8° | 180.0° |
| C01 | C02 | C06 | S05 | 179.3° | 179.9° |
| C01 | C02 | C06 | C07 | 0.7° | 0.0° |
| C02 | C01 | H3 | H4 | 120.0° | 119.9° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | C02 | C03 | H6 | 0.4° | 0.1° |
| C02 | C06 | S05 | C07 | 179.9° | 179.9° |
| C02 | C06 | C07 | N08 | 178.4° | 90.0° |
| C06 | C02 | C01 | H3 | 90.1° | 90.0° |
| C06 | C02 | C01 | H4 | 29.9° | 150.0° |
| C06 | C02 | C01 | H5 | 149.9° | 30.0° |
| C06 | C02 | C03 | H6 | 179.7° | 179.8° |
| C02 | C06 | C07 | H8 | 58.7° | 150.0° |
| C02 | C06 | C07 | H9 | 62.0° | 29.9° |
| S05 | C06 | C07 | N08 | 1.6° | 89.9° |
| C06 | S05 | C04 | H7 | 179.6° | 179.8° |
| S05 | C06 | C07 | H8 | 121.3° | 30.1° |
| S05 | C06 | C07 | H9 | 118.1° | 150.2° |
| C06 | C07 | N08 | H8 | 119.7° | 120.0° |
| C06 | C07 | N08 | H9 | 119.7° | 120.0° |
| C06 | C07 | N08 | C09 | 92.3° | 180.0° |
| C06 | C07 | H8 | H9 | 120.9° | 120.1° |
| C06 | C07 | N08 | H13 | 87.7° | 0.1° |
| O10 | C09 | N08 | C07 | 1.0° | 0.0° |
| O10 | C09 | N08 | C11 | 179.7° | 180.0° |
| O10 | C09 | C11 | C16 | 142.7° | 0.0° |
| O10 | C09 | C11 | C12 | 37.4° | 179.3° |
| O10 | C09 | N08 | H13 | 179.0° | 180.0° |
| C07 | N08 | C09 | H13 | 180.0° | 179.9° |
| C07 | N08 | C09 | C11 | 179.4° | 180.0° |
| N08 | C07 | H8 | H9 | 120.9° | 119.9° |
| N08 | C09 | C11 | C16 | 37.6° | 180.0° |
| N08 | C09 | C11 | C12 | 142.3° | 0.7° |
| C09 | N08 | C07 | H8 | 27.4° | 60.0° |
| C09 | N08 | C07 | H9 | 148.0° | 60.0° |
| C09 | C11 | C16 | C12 | 179.9° | 179.3° |
| C09 | C11 | C16 | C15 | 179.9° | 180.0° |
| C09 | C11 | C12 | C13 | 179.6° | 179.8° |
| C09 | C11 | C12 | H10 | 0.4° | 0.2° |
| C09 | C11 | C16 | H12 | 0.1° | 0.0° |
| C11 | C09 | N08 | H13 | 0.7° | 0.0° |
| C11 | C16 | C15 | H12 | 180.0° | 180.0° |
| C16 | C11 | C12 | C13 | 0.5° | 0.5° |
| C11 | C16 | C15 | C14 | 0.4° | 0.4° |
| C11 | C16 | C15 | H2 | 179.6° | 179.6° |
| C16 | C11 | C12 | H10 | 179.5° | 179.5° |
| C12 | C11 | C16 | C15 | 0.0° | 0.7° |
| C11 | C12 | C13 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C11 | C12 | C13 | H1 | 179.4° | 179.7° |
| C12 | C11 | C16 | H12 | 180.0° | 179.3° |
| C16 | C15 | C14 | H2 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.4° | 0.1° |
| C16 | C15 | C14 | H11 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.3° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C12 | C13 | C14 | H11 | 179.9° | 179.8° |
| C15 | C14 | C13 | H11 | 180.0° | 180.0° |
| C15 | C14 | C13 | H1 | 179.9° | 180.0° |
| C14 | C15 | C16 | H12 | 179.6° | 179.5° |
| C13 | C14 | C15 | H2 | 179.6° | 180.0° |
| C14 | C13 | C12 | H10 | 179.5° | 180.0° |
| H1 | C13 | C12 | H10 | 0.6° | 0.3° |
| H1 | C13 | C14 | H11 | 0.1° | 0.1° |
| H2 | C15 | C14 | H11 | 0.4° | 0.0° |
| H2 | C15 | C16 | H12 | 0.4° | 0.5° |
| H3 | C01 | H4 | H5 | 120.0° | 120.1° |
| H6 | C03 | C04 | H7 | 0.2° | 0.1° |
| H8 | C07 | N08 | H13 | 152.6° | 119.9° |
| H9 | C07 | N08 | H13 | 32.0° | 120.0° |
