Y0C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| N13 | C02 | sing | 1.33Å | 1.51Å | |
| N13 | C05 | sing | 1.47Å | 1.66Å | |
| C02 | C03 | sing | 1.52Å | 1.66Å | |
| C05 | S04 | sing | 1.84Å | 1.54Å | |
| C05 | C06 | sing | 1.51Å | 1.55Å | |
| F12 | C11 | sing | 1.35Å | 1.37Å | |
| C03 | S04 | sing | 1.84Å | 1.70Å | |
| C06 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| N13 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N13 | 126.1° | 121.8° |
| O01 | C02 | C03 | 128.7° | 121.8° |
| C02 | N13 | C05 | 108.8° | 118.0° |
| N13 | C02 | C03 | 105.1° | 116.4° |
| C02 | N13 | H8 | 125.6° | 121.0° |
| N13 | C05 | S04 | 107.7° | 103.1° |
| N13 | C05 | C06 | 122.9° | 110.7° |
| N13 | C05 | H4 | 106.1° | 110.9° |
| C05 | N13 | H8 | 125.6° | 121.0° |
| C02 | C03 | S04 | 105.6° | 102.2° |
| C02 | C03 | H2 | 110.4° | 110.9° |
| C02 | C03 | H3 | 110.4° | 110.9° |
| S04 | C05 | C06 | 104.7° | 110.6° |
| C05 | S04 | C03 | 99.9° | 94.1° |
| S04 | C05 | H4 | 107.4° | 110.7° |
| C05 | C06 | C11 | 118.3° | 120.0° |
| C05 | C06 | C07 | 123.1° | 120.0° |
| C06 | C05 | H4 | 107.2° | 110.6° |
| F12 | C11 | C06 | 118.5° | 120.0° |
| F12 | C11 | C10 | 120.9° | 120.0° |
| S04 | C03 | H2 | 110.4° | 110.8° |
| S04 | C03 | H3 | 110.4° | 110.8° |
| C11 | C06 | C07 | 118.6° | 120.0° |
| C06 | C11 | C10 | 120.6° | 120.0° |
| C06 | C07 | C08 | 120.5° | 120.0° |
| C06 | C07 | H5 | 119.7° | 120.0° |
| C11 | C10 | C09 | 120.3° | 120.0° |
| C11 | C10 | H1 | 119.8° | 120.0° |
| C07 | C08 | C09 | 120.9° | 120.0° |
| C08 | C07 | H5 | 119.8° | 120.0° |
| C07 | C08 | H6 | 119.5° | 120.0° |
| C10 | C09 | C08 | 119.0° | 120.0° |
| C09 | C10 | H1 | 119.8° | 120.0° |
| C10 | C09 | H7 | 120.5° | 120.0° |
| C09 | C08 | H6 | 119.5° | 120.0° |
| C08 | C09 | H7 | 120.5° | 119.9° |
| H2 | C03 | H3 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N13 | C03 | 178.4° | 179.7° |
| O01 | C02 | N13 | C05 | 179.5° | 179.9° |
| O01 | C02 | C03 | S04 | 158.5° | 163.5° |
| O01 | C02 | C03 | H2 | 39.1° | 78.3° |
| O01 | C02 | C03 | H3 | 82.0° | 45.3° |
| O01 | C02 | N13 | H8 | 0.5° | 0.0° |
| C02 | N13 | C05 | H8 | 180.0° | 180.0° |
| C02 | N13 | C05 | S04 | 24.4° | 16.8° |
| C02 | N13 | C05 | C06 | 97.1° | 135.1° |
| N13 | C02 | C03 | S04 | 19.8° | 16.1° |
| N13 | C02 | C03 | H2 | 139.2° | 102.0° |
| N13 | C02 | C03 | H3 | 99.6° | 134.3° |
| C02 | N13 | C05 | H4 | 139.2° | 101.7° |
| C05 | N13 | C02 | C03 | 1.2° | 0.4° |
| N13 | C05 | S04 | C06 | 132.3° | 118.4° |
| N13 | C05 | S04 | H4 | 114.0° | 118.6° |
| N13 | C05 | C06 | H4 | 123.2° | 123.3° |
| N13 | C05 | S04 | C03 | 34.3° | 22.0° |
| N13 | C05 | C06 | C11 | 120.5° | 160.1° |
| N13 | C05 | C06 | C07 | 56.1° | 19.9° |
| C02 | C03 | S04 | C05 | 33.6° | 21.5° |
| C02 | C03 | S04 | H2 | 119.4° | 118.2° |
| C02 | C03 | S04 | H3 | 119.4° | 118.2° |
| C02 | C03 | H2 | H3 | 121.8° | 123.6° |
| C03 | C02 | N13 | H8 | 178.8° | 179.6° |
| S04 | C05 | C06 | H4 | 113.9° | 123.0° |
| S04 | C05 | C06 | C11 | 116.6° | 46.5° |
| S04 | C05 | C06 | C07 | 66.8° | 133.6° |
| C05 | S04 | C03 | H2 | 153.0° | 96.7° |
| C05 | S04 | C03 | H3 | 85.8° | 139.7° |
| S04 | C05 | N13 | H8 | 155.6° | 163.3° |
| C05 | C06 | C11 | F12 | 1.7° | 0.0° |
| C06 | C05 | S04 | C03 | 98.0° | 140.3° |
| C05 | C06 | C11 | C07 | 176.8° | 180.0° |
| C05 | C06 | C11 | C10 | 178.9° | 180.0° |
| C05 | C06 | C07 | C08 | 179.2° | 179.7° |
| C05 | C06 | C07 | H5 | 0.8° | 0.1° |
| C06 | C05 | N13 | H8 | 82.9° | 44.9° |
| F12 | C11 | C06 | C10 | 179.4° | 180.0° |
| F12 | C11 | C06 | C07 | 178.5° | 180.0° |
| F12 | C11 | C10 | C09 | 179.9° | 180.0° |
| F12 | C11 | C10 | H1 | 0.1° | 0.3° |
| S04 | C03 | H2 | H3 | 121.8° | 123.6° |
| C03 | S04 | C05 | H4 | 148.3° | 96.7° |
| C11 | C06 | C07 | C08 | 2.6° | 0.3° |
| C06 | C11 | C10 | C09 | 0.8° | 0.0° |
| C06 | C11 | C10 | H1 | 179.2° | 179.7° |
| C11 | C06 | C05 | H4 | 2.7° | 76.6° |
| C11 | C06 | C07 | H5 | 177.4° | 179.9° |
| C07 | C06 | C11 | C10 | 2.1° | 0.0° |
| C06 | C07 | C08 | H5 | 180.0° | 179.8° |
| C06 | C07 | C08 | C09 | 1.8° | 0.6° |
| C07 | C06 | C05 | H4 | 179.3° | 103.4° |
| C06 | C07 | C08 | H6 | 178.2° | 180.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.6° |
| C11 | C10 | C09 | C08 | 0.1° | 0.3° |
| C11 | C10 | C09 | H7 | 180.0° | 179.8° |
| C07 | C08 | C09 | C10 | 0.4° | 0.6° |
| C07 | C08 | C09 | H6 | 180.0° | 179.4° |
| C07 | C08 | C09 | H7 | 179.5° | 179.5° |
| C10 | C09 | C08 | H7 | 180.0° | 179.9° |
| C10 | C09 | C08 | H6 | 179.6° | 180.0° |
| C08 | C09 | C10 | H1 | 179.9° | 180.0° |
| C09 | C08 | C07 | H5 | 178.2° | 179.6° |
| H1 | C10 | C09 | H7 | 0.0° | 0.2° |
| H4 | C05 | N13 | H8 | 40.8° | 78.2° |
| H5 | C07 | C08 | H6 | 1.8° | 0.2° |
| H6 | C08 | C09 | H7 | 0.4° | 0.1° |
