YPV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.57Å | |
| O10 | S09 | doub | 1.42Å | 1.43Å | |
| O22 | S09 | doub | 1.42Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| S09 | N11 | sing | 1.66Å | 1.58Å | |
| S09 | C08 | sing | 1.76Å | 1.68Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| N11 | C12 | sing | 1.40Å | 1.39Å | |
| C17 | C16 | sing | 1.53Å | 1.47Å | |
| C12 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| O24 | C02 | doub | 1.21Å | 1.28Å | |
| C23 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C03 | sing | 1.40Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.47Å | 1.49Å | |
| C02 | O01 | sing | 1.35Å | 1.27Å | |
| C03 | C04 | doub | 1.40Å | 1.36Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C06 | sing | 1.39Å | 1.37Å | Aromatic |
| C04 | O05 | sing | 1.36Å | 1.38Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| O05 | H051 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 115.8° | 109.5° |
| C19 | C18 | H182 | 107.9° | 109.5° |
| C19 | C18 | H181 | 107.8° | 109.4° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.4° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| O10 | S09 | O22 | 114.8° | 123.2° |
| O10 | S09 | N11 | 107.8° | 106.4° |
| O10 | S09 | C08 | 108.4° | 106.4° |
| O22 | S09 | N11 | 105.8° | 106.4° |
| O22 | S09 | C08 | 112.7° | 106.4° |
| C18 | C17 | C16 | 113.9° | 109.4° |
| C18 | C17 | H171 | 108.3° | 109.5° |
| C18 | C17 | H172 | 108.4° | 109.4° |
| C17 | C18 | H182 | 107.9° | 109.5° |
| C17 | C18 | H181 | 107.9° | 109.5° |
| N11 | S09 | C08 | 106.9° | 107.2° |
| S09 | N11 | C12 | 128.8° | 120.0° |
| S09 | N11 | H111 | 104.5° | 120.0° |
| S09 | C08 | C23 | 126.1° | 119.8° |
| S09 | C08 | C07 | 119.9° | 119.9° |
| C20 | C21 | C12 | 121.3° | 120.0° |
| C21 | C20 | C15 | 120.9° | 120.1° |
| C21 | C20 | H201 | 119.5° | 120.0° |
| C20 | C21 | H211 | 119.4° | 120.0° |
| C21 | C12 | N11 | 122.8° | 120.1° |
| C21 | C12 | C13 | 117.0° | 119.8° |
| C12 | C21 | H211 | 119.4° | 120.0° |
| C20 | C15 | C16 | 123.5° | 119.9° |
| C20 | C15 | C14 | 117.4° | 120.1° |
| C15 | C20 | H201 | 119.5° | 119.9° |
| N11 | C12 | C13 | 120.1° | 120.1° |
| C12 | N11 | H111 | 104.5° | 120.0° |
| C17 | C16 | C15 | 112.7° | 109.4° |
| C17 | C16 | H161 | 108.7° | 109.5° |
| C17 | C16 | H162 | 108.7° | 109.5° |
| C16 | C17 | H171 | 108.3° | 109.5° |
| C16 | C17 | H172 | 108.4° | 109.5° |
| C12 | C13 | C14 | 121.8° | 119.9° |
| C12 | C13 | H131 | 119.1° | 120.1° |
| O24 | C02 | C03 | 119.4° | 120.0° |
| O24 | C02 | O01 | 123.3° | 120.0° |
| C08 | C23 | C03 | 124.3° | 119.9° |
| C23 | C08 | C07 | 114.0° | 120.3° |
| C08 | C23 | H231 | 117.8° | 120.0° |
| C23 | C03 | C02 | 122.2° | 120.2° |
| C23 | C03 | C04 | 116.7° | 119.6° |
| C03 | C23 | H231 | 117.9° | 120.1° |
| C08 | C07 | C06 | 123.9° | 120.4° |
| C08 | C07 | H071 | 118.1° | 119.8° |
| C16 | C15 | C14 | 119.1° | 119.9° |
| C15 | C16 | H161 | 108.6° | 109.5° |
| C15 | C16 | H162 | 108.7° | 109.5° |
| C15 | C14 | C13 | 121.6° | 120.1° |
| C15 | C14 | H141 | 119.2° | 119.9° |
| C14 | C13 | H131 | 119.1° | 120.0° |
| C13 | C14 | H141 | 119.2° | 120.0° |
| C03 | C02 | O01 | 117.2° | 120.0° |
| C02 | C03 | C04 | 121.1° | 120.2° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| C03 | C04 | C06 | 124.4° | 119.7° |
| C03 | C04 | O05 | 117.9° | 120.2° |
| C07 | C06 | C04 | 116.7° | 120.0° |
| C07 | C06 | H061 | 121.6° | 120.0° |
| C06 | C07 | H071 | 118.1° | 119.8° |
| C06 | C04 | O05 | 117.7° | 120.1° |
| C04 | C06 | H061 | 121.6° | 120.0° |
| C04 | O05 | H051 | 109.5° | 114.0° |
| H161 | C16 | H162 | 109.4° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.4° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H182 | 120.9° | 120.0° |
| C19 | C18 | C17 | H181 | 120.9° | 119.9° |
| C19 | C18 | C17 | C16 | 172.8° | 180.0° |
| C19 | C18 | C17 | H171 | 52.1° | 60.0° |
| C19 | C18 | C17 | H172 | 66.5° | 60.1° |
| C19 | C18 | H182 | H181 | 117.1° | 119.9° |
| C18 | C19 | H192 | H191 | 120.0° | 119.9° |
| C18 | C19 | H192 | H193 | 120.0° | 120.1° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| O10 | S09 | O22 | N11 | 118.7° | 122.9° |
| O10 | S09 | O22 | C08 | 124.8° | 123.0° |
| O10 | S09 | N11 | C08 | 116.4° | 113.6° |
| O10 | S09 | N11 | C12 | 55.5° | 175.2° |
| O10 | S09 | C08 | C23 | 19.0° | 151.3° |
| O10 | S09 | C08 | C07 | 159.7° | 28.6° |
| O10 | S09 | N11 | H111 | 67.0° | 4.7° |
| O22 | S09 | N11 | C08 | 120.4° | 113.6° |
| O22 | S09 | N11 | C12 | 178.8° | 51.9° |
| O22 | S09 | C08 | C23 | 109.2° | 18.3° |
| O22 | S09 | C08 | C07 | 72.0° | 161.6° |
| O22 | S09 | N11 | H111 | 56.2° | 128.2° |
| C18 | C17 | C16 | H171 | 120.6° | 120.0° |
| C18 | C17 | C16 | H172 | 120.7° | 119.9° |
| C18 | C17 | C16 | C15 | 54.6° | 180.0° |
| C18 | C17 | C16 | H161 | 175.0° | 60.0° |
| C18 | C17 | C16 | H162 | 65.9° | 60.1° |
| C18 | C17 | H171 | H172 | 118.0° | 120.0° |
| C17 | C18 | H182 | H181 | 117.2° | 120.1° |
| C17 | C18 | C19 | H192 | 180.0° | 60.1° |
| C17 | C18 | C19 | H191 | 60.0° | 180.0° |
| C17 | C18 | C19 | H193 | 60.0° | 60.0° |
| S09 | N11 | C12 | C21 | 40.3° | 46.5° |
| S09 | N11 | C12 | H111 | 122.5° | 179.9° |
| S09 | N11 | C12 | C13 | 142.0° | 133.8° |
| N11 | S09 | C08 | C23 | 135.0° | 95.2° |
| N11 | S09 | C08 | C07 | 43.8° | 84.9° |
| C08 | S09 | N11 | C12 | 60.9° | 61.7° |
| S09 | C08 | C23 | C07 | 178.8° | 179.9° |
| S09 | C08 | C23 | C03 | 179.4° | 179.9° |
| S09 | C08 | C07 | C06 | 179.4° | 179.9° |
| S09 | C08 | C23 | H231 | 0.6° | 0.3° |
| S09 | C08 | C07 | H071 | 0.6° | 0.1° |
| C08 | S09 | N11 | H111 | 176.6° | 118.3° |
| C20 | C21 | C12 | H211 | 180.0° | 179.9° |
| C21 | C20 | C15 | H201 | 180.0° | 179.9° |
| C20 | C21 | C12 | N11 | 176.2° | 179.7° |
| C20 | C21 | C12 | C13 | 1.6° | 0.0° |
| C21 | C20 | C15 | C16 | 179.9° | 180.0° |
| C21 | C20 | C15 | C14 | 1.6° | 0.0° |
| C12 | C21 | C20 | C15 | 2.2° | 0.0° |
| C21 | C12 | N11 | C13 | 177.7° | 179.7° |
| C21 | C12 | C13 | C14 | 0.6° | 0.0° |
| C21 | C12 | C13 | H131 | 179.4° | 179.9° |
| C12 | C21 | C20 | H201 | 177.8° | 180.0° |
| C21 | C12 | N11 | H111 | 82.2° | 133.6° |
| C20 | C15 | C16 | C17 | 61.3° | 90.0° |
| C20 | C15 | C16 | C14 | 178.2° | 180.0° |
| C20 | C15 | C14 | C13 | 0.6° | 0.1° |
| C20 | C15 | C14 | H141 | 179.4° | 180.0° |
| C20 | C15 | C16 | H161 | 59.2° | 30.0° |
| C20 | C15 | C16 | H162 | 178.2° | 150.0° |
| C15 | C20 | C21 | H211 | 177.9° | 180.0° |
| N11 | C12 | C13 | C14 | 177.3° | 179.8° |
| N11 | C12 | C13 | H131 | 2.7° | 0.3° |
| N11 | C12 | C21 | H211 | 3.8° | 0.2° |
| C17 | C16 | C15 | H161 | 120.5° | 120.0° |
| C17 | C16 | C15 | H162 | 120.5° | 119.9° |
| C17 | C16 | C15 | C14 | 117.0° | 90.0° |
| C17 | C16 | H161 | H162 | 118.5° | 120.0° |
| C16 | C17 | H171 | H172 | 118.0° | 120.0° |
| C16 | C17 | C18 | H182 | 66.3° | 60.0° |
| C16 | C17 | C18 | H181 | 51.9° | 60.1° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C12 | C13 | C14 | H141 | 179.8° | 180.0° |
| C13 | C12 | C21 | H211 | 178.4° | 180.0° |
| C13 | C12 | N11 | H111 | 95.5° | 46.2° |
| O24 | C02 | C03 | C23 | 1.7° | 179.9° |
| O24 | C02 | C03 | O01 | 177.5° | 179.9° |
| O24 | C02 | C03 | C04 | 179.6° | 0.1° |
| O24 | C02 | O01 | H1 | 0.0° | 0.1° |
| C08 | C23 | C03 | H231 | 180.0° | 179.7° |
| C08 | C23 | C03 | C02 | 178.8° | 179.9° |
| C08 | C23 | C03 | C04 | 0.1° | 0.0° |
| C23 | C08 | C07 | C06 | 0.5° | 0.0° |
| C23 | C08 | C07 | H071 | 179.5° | 180.0° |
| C03 | C23 | C08 | C07 | 0.6° | 0.0° |
| C23 | C03 | C02 | C04 | 178.7° | 179.9° |
| C23 | C03 | C02 | O01 | 175.8° | 0.1° |
| C23 | C03 | C04 | C06 | 0.6° | 0.0° |
| C23 | C03 | C04 | O05 | 179.0° | 179.9° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | C04 | 0.0° | 0.0° |
| C07 | C08 | C23 | H231 | 179.4° | 179.7° |
| C08 | C07 | C06 | H061 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 179.0° | 180.0° |
| C16 | C15 | C14 | H141 | 1.0° | 0.1° |
| C15 | C16 | H161 | H162 | 118.5° | 120.0° |
| C15 | C16 | C17 | H171 | 66.1° | 60.0° |
| C15 | C16 | C17 | H172 | 175.2° | 60.1° |
| C16 | C15 | C20 | H201 | 0.1° | 0.0° |
| C15 | C14 | C13 | H141 | 180.0° | 179.9° |
| C15 | C14 | C13 | H131 | 179.9° | 180.0° |
| C14 | C15 | C16 | H161 | 122.5° | 150.0° |
| C14 | C15 | C16 | H162 | 3.5° | 29.9° |
| C14 | C15 | C20 | H201 | 178.4° | 179.9° |
| C02 | C03 | C04 | C06 | 178.2° | 179.9° |
| C02 | C03 | C04 | O05 | 0.2° | 0.1° |
| C02 | C03 | C23 | H231 | 1.2° | 0.3° |
| C03 | C02 | O01 | H1 | 177.4° | 179.9° |
| O01 | C02 | C03 | C04 | 2.9° | 180.0° |
| C03 | C04 | C06 | C07 | 0.6° | 0.0° |
| C03 | C04 | C06 | O05 | 178.4° | 179.9° |
| C04 | C03 | C23 | H231 | 179.9° | 179.7° |
| C03 | C04 | C06 | H061 | 179.4° | 179.9° |
| C03 | C04 | O05 | H051 | 180.0° | 90.0° |
| C07 | C06 | C04 | H061 | 180.0° | 179.9° |
| C07 | C06 | C04 | O05 | 179.0° | 179.9° |
| C04 | C06 | C07 | H071 | 180.0° | 180.0° |
| C06 | C04 | O05 | H051 | 1.5° | 90.1° |
| O05 | C04 | C06 | H061 | 1.0° | 0.0° |
| H131 | C13 | C14 | H141 | 0.2° | 0.1° |
| H061 | C06 | C07 | H071 | 0.0° | 0.0° |
| H161 | C16 | C17 | H171 | 54.4° | 180.0° |
| H161 | C16 | C17 | H172 | 64.3° | 59.9° |
| H162 | C16 | C17 | H171 | 173.4° | 59.9° |
| H162 | C16 | C17 | H172 | 54.7° | 180.0° |
| H171 | C17 | C18 | H182 | 173.1° | 180.0° |
| H171 | C17 | C18 | H181 | 68.7° | 59.9° |
| H172 | C17 | C18 | H182 | 54.4° | 59.9° |
| H172 | C17 | C18 | H181 | 172.6° | 180.0° |
| H182 | C18 | C19 | H192 | 59.1° | 60.0° |
| H182 | C18 | C19 | H191 | 60.9° | 59.9° |
| H182 | C18 | C19 | H193 | 179.1° | 180.0° |
| H181 | C18 | C19 | H192 | 59.1° | 180.0° |
| H181 | C18 | C19 | H191 | 179.1° | 60.1° |
| H181 | C18 | C19 | H193 | 60.9° | 60.0° |
| H192 | C19 | H191 | H193 | 120.0° | 120.0° |
| H201 | C20 | C21 | H211 | 2.1° | 0.1° |
