YU0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | S17 | sing | 1.75Å | 1.53Å | |
| O20 | S17 | sing | 1.66Å | 1.48Å | |
| S17 | C18 | sing | 1.81Å | 1.83Å | |
| S17 | C16 | sing | 1.81Å | 1.81Å | |
| C16 | C15 | sing | 1.51Å | 1.55Å | |
| F22 | C21 | sing | 1.35Å | 1.36Å | |
| C15 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.52Å | |
| O10 | C08 | doub | 1.22Å | 1.27Å | |
| C08 | O09 | sing | 1.35Å | 1.26Å | |
| C08 | C07 | sing | 1.46Å | 1.50Å | |
| C11 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C24 | sing | 1.47Å | 1.41Å | Aromatic |
| C07 | N06 | sing | 1.38Å | 1.33Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.42Å | Aromatic |
| C24 | C05 | sing | 1.41Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.37Å | 1.40Å | Aromatic |
| N06 | C05 | sing | 1.37Å | 1.33Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.42Å | Aromatic |
| C04 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C02 | sing | 1.51Å | 1.56Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 1.01Å | 1.00Å | |
| N19 | H1 | sing | 1.01Å | 1.00Å | |
| O09 | H2 | sing | 0.97Å | 0.95Å | |
| O20 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | S17 | O20 | 103.2° | 180.0° |
| N19 | S17 | C18 | 116.1° | 90.0° |
| N19 | S17 | C16 | 108.4° | 90.0° |
| S17 | N19 | H191 | 109.5° | 111.0° |
| S17 | N19 | H1 | 109.5° | 111.0° |
| O20 | S17 | C18 | 102.4° | 90.0° |
| O20 | S17 | C16 | 119.0° | 90.0° |
| S17 | O20 | H3 | 109.5° | 114.0° |
| C18 | S17 | C16 | 108.1° | 120.0° |
| S17 | C18 | H182 | 109.5° | 109.5° |
| S17 | C18 | H183 | 109.4° | 109.4° |
| S17 | C18 | H181 | 109.5° | 109.5° |
| S17 | C16 | C15 | 111.7° | 109.4° |
| S17 | C16 | H162 | 108.9° | 109.4° |
| S17 | C16 | H161 | 108.9° | 109.4° |
| C16 | C15 | C21 | 122.4° | 119.9° |
| C16 | C15 | C14 | 120.0° | 119.9° |
| C15 | C16 | H162 | 108.9° | 109.5° |
| C15 | C16 | H161 | 108.9° | 109.5° |
| F22 | C21 | C15 | 119.7° | 119.9° |
| F22 | C21 | C23 | 118.3° | 120.0° |
| C21 | C15 | C14 | 117.6° | 120.3° |
| C15 | C21 | C23 | 122.0° | 120.1° |
| C15 | C14 | C13 | 121.1° | 120.2° |
| C15 | C14 | H141 | 119.5° | 120.0° |
| C21 | C23 | C12 | 119.2° | 119.8° |
| C21 | C23 | H231 | 120.4° | 120.1° |
| C14 | C13 | C12 | 120.1° | 119.9° |
| C14 | C13 | H131 | 119.9° | 120.1° |
| C13 | C14 | H141 | 119.5° | 119.9° |
| C23 | C12 | C13 | 120.0° | 119.8° |
| C23 | C12 | C11 | 122.3° | 120.1° |
| C12 | C23 | H231 | 120.4° | 120.1° |
| C13 | C12 | C11 | 117.6° | 120.1° |
| C12 | C13 | H131 | 120.0° | 120.1° |
| C12 | C11 | C07 | 129.5° | 126.8° |
| C12 | C11 | C24 | 124.9° | 126.8° |
| O10 | C08 | O09 | 123.2° | 120.0° |
| O10 | C08 | C07 | 115.9° | 120.0° |
| O09 | C08 | C07 | 120.6° | 120.0° |
| C08 | O09 | H2 | 109.5° | 114.0° |
| C08 | C07 | C11 | 128.5° | 125.5° |
| C08 | C07 | N06 | 121.7° | 125.5° |
| C07 | C11 | C24 | 105.5° | 106.5° |
| C11 | C07 | N06 | 109.8° | 109.0° |
| C11 | C24 | C25 | 134.1° | 133.6° |
| C11 | C24 | C05 | 106.4° | 106.4° |
| C07 | N06 | C05 | 110.0° | 110.1° |
| C07 | N06 | H061 | 125.0° | 124.9° |
| C25 | C24 | C05 | 119.4° | 119.9° |
| C24 | C25 | C26 | 118.4° | 119.9° |
| C24 | C25 | H251 | 120.8° | 120.1° |
| C24 | C05 | N06 | 108.2° | 108.0° |
| C24 | C05 | C04 | 122.3° | 119.2° |
| C25 | C26 | C27 | 121.7° | 120.5° |
| C26 | C25 | H251 | 120.8° | 120.1° |
| C25 | C26 | H261 | 119.2° | 119.8° |
| N06 | C05 | C04 | 129.4° | 132.8° |
| C05 | N06 | H061 | 125.0° | 125.0° |
| C05 | C04 | C27 | 118.1° | 119.8° |
| C05 | C04 | C02 | 119.7° | 120.1° |
| C26 | C27 | C04 | 120.0° | 120.7° |
| C27 | C26 | H261 | 119.2° | 119.7° |
| C26 | C27 | H271 | 120.0° | 119.7° |
| C27 | C04 | C02 | 122.1° | 120.1° |
| C04 | C27 | H271 | 120.0° | 119.6° |
| C04 | C02 | C03 | 112.7° | 109.4° |
| C04 | C02 | C01 | 109.9° | 109.5° |
| C04 | C02 | H021 | 107.2° | 109.4° |
| C03 | C02 | C01 | 112.1° | 109.5° |
| C03 | C02 | H021 | 107.3° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.4° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H031 | 109.4° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H021 | 107.3° | 109.5° |
| H162 | C16 | H161 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H033 | C03 | H032 | 109.4° | 109.5° |
| H033 | C03 | H031 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H183 | C18 | H181 | 109.5° | 109.5° |
| H191 | N19 | H1 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | S17 | O20 | C18 | 120.9° | 179.0° |
| N19 | S17 | O20 | C16 | 120.0° | 59.0° |
| N19 | S17 | C18 | C16 | 122.0° | 90.0° |
| N19 | S17 | C16 | C15 | 173.4° | 0.0° |
| N19 | S17 | C16 | H162 | 53.1° | 120.0° |
| N19 | S17 | C16 | H161 | 66.2° | 120.0° |
| N19 | S17 | C18 | H182 | 180.0° | 60.0° |
| N19 | S17 | C18 | H183 | 60.0° | 60.0° |
| N19 | S17 | C18 | H181 | 60.0° | 180.0° |
| S17 | N19 | H191 | H1 | 120.0° | 124.0° |
| N19 | S17 | O20 | H3 | 180.0° | 121.0° |
| O20 | S17 | C18 | C16 | 126.5° | 90.0° |
| O20 | S17 | C16 | C15 | 56.1° | 180.0° |
| O20 | S17 | C16 | H162 | 64.2° | 60.0° |
| O20 | S17 | C16 | H161 | 176.5° | 60.0° |
| O20 | S17 | C18 | H182 | 68.4° | 120.0° |
| O20 | S17 | C18 | H183 | 171.5° | 120.0° |
| O20 | S17 | C18 | H181 | 51.6° | 0.0° |
| O20 | S17 | N19 | H191 | 180.0° | 123.0° |
| O20 | S17 | N19 | H1 | 60.0° | 1.0° |
| C18 | S17 | C16 | C15 | 60.0° | 90.0° |
| C18 | S17 | C16 | H162 | 179.7° | 150.0° |
| C18 | S17 | C16 | H161 | 60.4° | 29.9° |
| S17 | C18 | H182 | H183 | 120.0° | 120.0° |
| S17 | C18 | H182 | H181 | 120.0° | 120.0° |
| S17 | C18 | H183 | H181 | 120.0° | 120.0° |
| C18 | S17 | N19 | H191 | 68.9° | 56.0° |
| C18 | S17 | N19 | H1 | 171.1° | 180.0° |
| C18 | S17 | O20 | H3 | 59.1° | 60.0° |
| S17 | C16 | C15 | H162 | 120.3° | 120.0° |
| S17 | C16 | C15 | H161 | 120.3° | 120.0° |
| S17 | C16 | C15 | C21 | 84.6° | 90.0° |
| S17 | C16 | C15 | C14 | 95.7° | 89.7° |
| S17 | C16 | H162 | H161 | 119.0° | 120.0° |
| C16 | S17 | C18 | H182 | 58.0° | 30.1° |
| C16 | S17 | C18 | H183 | 62.0° | 150.1° |
| C16 | S17 | C18 | H181 | 178.1° | 90.0° |
| C16 | S17 | N19 | H191 | 53.0° | 64.0° |
| C16 | S17 | N19 | H1 | 67.1° | 60.0° |
| C16 | S17 | O20 | H3 | 60.0° | 179.9° |
| C16 | C15 | C21 | F22 | 1.1° | 0.3° |
| C16 | C15 | C21 | C14 | 179.7° | 179.7° |
| C16 | C15 | C21 | C23 | 179.6° | 180.0° |
| C16 | C15 | C14 | C13 | 179.0° | 179.8° |
| C16 | C15 | C14 | H141 | 1.0° | 0.3° |
| C15 | C16 | H162 | H161 | 119.0° | 120.0° |
| F22 | C21 | C15 | C23 | 179.3° | 179.7° |
| F22 | C21 | C15 | C14 | 179.2° | 180.0° |
| F22 | C21 | C23 | C12 | 179.4° | 179.8° |
| F22 | C21 | C23 | H231 | 0.7° | 0.3° |
| C21 | C15 | C14 | C13 | 0.7° | 0.1° |
| C15 | C21 | C23 | C12 | 0.0° | 0.6° |
| C21 | C15 | C14 | H141 | 179.4° | 179.9° |
| C21 | C15 | C16 | H162 | 35.7° | 150.1° |
| C21 | C15 | C16 | H161 | 155.1° | 30.0° |
| C15 | C21 | C23 | H231 | 180.0° | 179.9° |
| C14 | C15 | C21 | C23 | 0.1° | 0.3° |
| C15 | C14 | C13 | H141 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.1° | 0.0° |
| C15 | C14 | C13 | H131 | 178.9° | 180.0° |
| C14 | C15 | C16 | H162 | 143.9° | 30.2° |
| C14 | C15 | C16 | H161 | 24.6° | 150.3° |
| C21 | C23 | C12 | H231 | 180.0° | 179.5° |
| C21 | C23 | C12 | C13 | 0.4° | 0.5° |
| C21 | C23 | C12 | C11 | 178.1° | 179.7° |
| C14 | C13 | C12 | C23 | 0.9° | 0.3° |
| C14 | C13 | C12 | H131 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 178.7° | 180.0° |
| C23 | C12 | C13 | C11 | 177.8° | 179.8° |
| C23 | C12 | C11 | C07 | 136.4° | 115.3° |
| C23 | C12 | C11 | C24 | 47.5° | 65.1° |
| C23 | C12 | C13 | H131 | 179.1° | 179.7° |
| C13 | C12 | C11 | C07 | 45.9° | 65.0° |
| C13 | C12 | C11 | C24 | 130.2° | 114.7° |
| C12 | C13 | C14 | H141 | 178.9° | 180.0° |
| C13 | C12 | C23 | H231 | 179.6° | 180.0° |
| C12 | C11 | C07 | C08 | 4.9° | 0.3° |
| C12 | C11 | C07 | C24 | 176.7° | 179.7° |
| C12 | C11 | C07 | N06 | 176.8° | 179.7° |
| C12 | C11 | C24 | C25 | 3.7° | 0.3° |
| C12 | C11 | C24 | C05 | 176.9° | 179.8° |
| C11 | C12 | C13 | H131 | 1.3° | 0.0° |
| C11 | C12 | C23 | H231 | 1.9° | 0.2° |
| O10 | C08 | O09 | C07 | 174.5° | 180.0° |
| O10 | C08 | C07 | C11 | 41.1° | 0.0° |
| O10 | C08 | C07 | N06 | 137.1° | 180.0° |
| O10 | C08 | O09 | H2 | 0.0° | 0.0° |
| O09 | C08 | C07 | C11 | 144.1° | 180.0° |
| O09 | C08 | C07 | N06 | 37.7° | 0.0° |
| C08 | C07 | C11 | N06 | 178.4° | 180.0° |
| C08 | C07 | C11 | C24 | 178.5° | 180.0° |
| C08 | C07 | N06 | C05 | 178.6° | 180.0° |
| C08 | C07 | N06 | H061 | 1.4° | 0.1° |
| C07 | C08 | O09 | H2 | 174.5° | 180.0° |
| C07 | C11 | C24 | C25 | 179.4° | 180.0° |
| C07 | C11 | C24 | C05 | 0.0° | 0.1° |
| C11 | C07 | N06 | C05 | 0.1° | 0.0° |
| C11 | C07 | N06 | H061 | 179.9° | 179.9° |
| C24 | C11 | C07 | N06 | 0.1° | 0.0° |
| C11 | C24 | C25 | C05 | 179.3° | 179.9° |
| C11 | C24 | C25 | C26 | 179.2° | 179.9° |
| C11 | C24 | C05 | N06 | 0.0° | 0.1° |
| C11 | C24 | C05 | C04 | 178.9° | 180.0° |
| C11 | C24 | C25 | H251 | 0.8° | 0.0° |
| C07 | N06 | C05 | C24 | 0.1° | 0.1° |
| C07 | N06 | C05 | H061 | 180.0° | 179.9° |
| C07 | N06 | C05 | C04 | 178.8° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C25 | C24 | C05 | N06 | 179.5° | 180.0° |
| C25 | C24 | C05 | C04 | 0.6° | 0.1° |
| C24 | C25 | C26 | C27 | 1.0° | 0.0° |
| C24 | C25 | C26 | H261 | 179.0° | 180.0° |
| C05 | C24 | C25 | C26 | 0.1° | 0.1° |
| C24 | C05 | N06 | C04 | 178.8° | 179.9° |
| C24 | C05 | C04 | C27 | 0.1° | 0.0° |
| C24 | C05 | C04 | C02 | 179.8° | 180.0° |
| C05 | C24 | C25 | H251 | 179.9° | 179.9° |
| C24 | C05 | N06 | H061 | 180.0° | 180.0° |
| C25 | C26 | C27 | H261 | 180.0° | 180.0° |
| C25 | C26 | C27 | C04 | 1.5° | 0.0° |
| C25 | C26 | C27 | H271 | 178.5° | 180.0° |
| N06 | C05 | C04 | C27 | 178.7° | 179.9° |
| N06 | C05 | C04 | C02 | 1.2° | 0.1° |
| C05 | C04 | C27 | C26 | 0.9° | 0.0° |
| C05 | C04 | C27 | C02 | 180.0° | 180.0° |
| C05 | C04 | C02 | C03 | 96.5° | 120.0° |
| C05 | C04 | C02 | C01 | 137.6° | 120.0° |
| C05 | C04 | C27 | H271 | 179.1° | 180.0° |
| C05 | C04 | C02 | H021 | 21.4° | 0.0° |
| C04 | C05 | N06 | H061 | 1.2° | 0.1° |
| C26 | C27 | C04 | H271 | 180.0° | 180.0° |
| C26 | C27 | C04 | C02 | 179.1° | 180.0° |
| C27 | C26 | C25 | H251 | 179.0° | 180.0° |
| C27 | C04 | C02 | C03 | 83.4° | 60.1° |
| C27 | C04 | C02 | C01 | 42.4° | 60.0° |
| C04 | C27 | C26 | H261 | 178.5° | 180.0° |
| C27 | C04 | C02 | H021 | 158.7° | 180.0° |
| C04 | C02 | C03 | C01 | 124.6° | 120.0° |
| C04 | C02 | C03 | H021 | 117.8° | 119.9° |
| C04 | C02 | C01 | H021 | 116.2° | 120.0° |
| C02 | C04 | C27 | H271 | 0.9° | 0.0° |
| C04 | C02 | C01 | H012 | 180.0° | 180.0° |
| C04 | C02 | C01 | H013 | 60.0° | 60.0° |
| C04 | C02 | C01 | H011 | 60.0° | 60.0° |
| C04 | C02 | C03 | H033 | 180.0° | 60.1° |
| C04 | C02 | C03 | H032 | 60.0° | 60.0° |
| C04 | C02 | C03 | H031 | 60.0° | 180.0° |
| C03 | C02 | C01 | H021 | 117.6° | 120.0° |
| C03 | C02 | C01 | H012 | 53.8° | 60.0° |
| C03 | C02 | C01 | H013 | 66.2° | 180.0° |
| C03 | C02 | C01 | H011 | 173.9° | 60.0° |
| C02 | C03 | H033 | H032 | 120.0° | 120.1° |
| C02 | C03 | H033 | H031 | 120.0° | 120.0° |
| C02 | C03 | H032 | H031 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H033 | 55.4° | 60.0° |
| C01 | C02 | C03 | H032 | 175.3° | 180.0° |
| C01 | C02 | C03 | H031 | 64.6° | 60.0° |
| H131 | C13 | C14 | H141 | 1.1° | 0.0° |
| H251 | C25 | C26 | H261 | 1.0° | 0.1° |
| H261 | C26 | C27 | H271 | 1.5° | 0.0° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 63.8° | 60.0° |
| H013 | C01 | C02 | H021 | 176.2° | 60.0° |
| H011 | C01 | C02 | H021 | 56.3° | 180.0° |
| H021 | C02 | C03 | H033 | 62.2° | 180.0° |
| H021 | C02 | C03 | H032 | 57.8° | 60.0° |
| H021 | C02 | C03 | H031 | 177.8° | 60.0° |
| H033 | C03 | H032 | H031 | 120.0° | 120.0° |
| H182 | C18 | H183 | H181 | 120.0° | 120.1° |
