RY0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | doub | 1.31Å | 1.44Å | |
| S08 | C07 | sing | 1.71Å | 1.63Å | Aromatic |
| S08 | C04 | sing | 1.76Å | 1.63Å | Aromatic |
| C07 | C06 | doub | 1.35Å | 1.42Å | Aromatic |
| C02 | C04 | sing | 1.47Å | 1.50Å | |
| C02 | N03 | sing | 1.38Å | 1.27Å | |
| C04 | C05 | doub | 1.35Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.50Å | Aromatic |
| C06 | C09 | sing | 1.48Å | 1.51Å | |
| C10 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | N14 | sing | 1.40Å | 1.44Å | |
| N14 | C15 | sing | 1.35Å | 1.44Å | |
| O16 | C15 | doub | 1.21Å | 1.19Å | |
| C15 | C17 | sing | 1.51Å | 1.53Å | |
| C20 | C17 | sing | 1.54Å | 1.51Å | |
| C20 | C19 | sing | 1.54Å | 1.50Å | |
| C17 | O21 | sing | 1.43Å | 1.33Å | |
| C17 | C18 | sing | 1.54Å | 1.51Å | |
| O21 | C22 | sing | 1.36Å | 1.40Å | |
| C19 | C18 | sing | 1.54Å | 1.52Å | |
| C22 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C28 | sing | 1.39Å | 1.36Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.36Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C25 | sing | 1.38Å | 1.35Å | Aromatic |
| C25 | CL26 | sing | 1.74Å | 1.77Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N03 | H1 | sing | 0.97Å | 1.00Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C04 | 115.9° | 120.0° |
| N01 | C02 | N03 | 121.8° | 120.0° |
| C02 | N01 | H011 | 112.0° | 120.0° |
| C07 | S08 | C04 | 99.5° | 91.7° |
| S08 | C07 | C06 | 108.8° | 110.7° |
| S08 | C07 | H071 | 125.6° | 124.6° |
| S08 | C04 | C02 | 127.6° | 125.2° |
| S08 | C04 | C05 | 110.7° | 109.5° |
| C07 | C06 | C05 | 112.0° | 114.5° |
| C07 | C06 | C09 | 128.0° | 122.8° |
| C06 | C07 | H071 | 125.6° | 124.7° |
| C04 | C02 | N03 | 122.1° | 120.0° |
| C02 | C04 | C05 | 121.7° | 125.2° |
| C02 | N03 | H1 | 120.0° | 120.0° |
| C02 | N03 | H031 | 120.0° | 120.1° |
| C04 | C05 | C06 | 109.0° | 113.5° |
| C04 | C05 | H051 | 125.5° | 123.2° |
| C05 | C06 | C09 | 119.9° | 122.7° |
| C06 | C05 | H051 | 125.5° | 123.2° |
| C06 | C09 | C10 | 117.1° | 120.1° |
| C06 | C09 | C29 | 120.7° | 120.1° |
| C09 | C10 | C11 | 119.7° | 120.1° |
| C10 | C09 | C29 | 122.0° | 119.8° |
| C09 | C10 | H101 | 120.2° | 119.9° |
| C10 | C11 | C12 | 119.3° | 120.2° |
| C11 | C10 | H101 | 120.2° | 120.0° |
| C10 | C11 | H111 | 120.4° | 119.9° |
| C09 | C29 | C13 | 117.5° | 119.8° |
| C09 | C29 | H291 | 121.2° | 120.1° |
| C11 | C12 | C13 | 120.4° | 120.2° |
| C12 | C11 | H111 | 120.3° | 119.9° |
| C11 | C12 | H121 | 119.8° | 119.9° |
| C29 | C13 | C12 | 121.0° | 120.0° |
| C29 | C13 | N14 | 123.8° | 120.0° |
| C13 | C29 | H291 | 121.2° | 120.1° |
| C12 | C13 | N14 | 115.1° | 120.0° |
| C13 | C12 | H121 | 119.8° | 119.9° |
| C13 | N14 | C15 | 125.5° | 120.0° |
| C13 | N14 | H141 | 117.3° | 120.0° |
| N14 | C15 | O16 | 121.8° | 120.0° |
| N14 | C15 | C17 | 115.0° | 120.0° |
| C15 | N14 | H141 | 117.3° | 120.0° |
| O16 | C15 | C17 | 123.1° | 120.0° |
| C15 | C17 | C20 | 110.4° | 113.6° |
| C15 | C17 | O21 | 113.5° | 112.9° |
| C15 | C17 | C18 | 117.2° | 113.6° |
| C17 | C20 | C19 | 90.9° | 87.0° |
| C20 | C17 | O21 | 105.8° | 113.6° |
| C20 | C17 | C18 | 89.1° | 87.2° |
| C17 | C20 | H201 | 113.9° | 113.6° |
| C17 | C20 | H202 | 113.9° | 113.6° |
| C20 | C19 | C18 | 89.3° | 87.1° |
| C20 | C19 | H192 | 114.3° | 113.6° |
| C20 | C19 | H191 | 114.3° | 113.7° |
| C19 | C20 | H201 | 113.9° | 113.6° |
| C19 | C20 | H202 | 113.9° | 113.7° |
| O21 | C17 | C18 | 117.2° | 113.6° |
| C17 | O21 | C22 | 118.1° | 117.0° |
| C17 | C18 | C19 | 90.5° | 87.1° |
| C17 | C18 | H181 | 114.0° | 113.6° |
| C17 | C18 | H182 | 114.0° | 113.6° |
| O21 | C22 | C23 | 126.1° | 120.0° |
| O21 | C22 | C28 | 113.5° | 120.1° |
| C19 | C18 | H181 | 114.0° | 113.6° |
| C19 | C18 | H182 | 114.0° | 113.7° |
| C18 | C19 | H192 | 114.3° | 113.6° |
| C18 | C19 | H191 | 114.2° | 113.6° |
| C23 | C22 | C28 | 120.4° | 119.9° |
| C22 | C23 | C24 | 119.8° | 120.0° |
| C22 | C23 | H231 | 120.1° | 120.0° |
| C22 | C28 | C27 | 119.9° | 120.0° |
| C22 | C28 | H281 | 120.0° | 120.0° |
| C23 | C24 | C25 | 117.6° | 120.0° |
| C24 | C23 | H231 | 120.1° | 120.0° |
| C23 | C24 | H241 | 121.2° | 120.0° |
| C28 | C27 | C25 | 120.9° | 120.1° |
| C28 | C27 | H271 | 119.6° | 120.0° |
| C27 | C28 | H281 | 120.0° | 120.0° |
| C24 | C25 | C27 | 121.4° | 120.1° |
| C24 | C25 | CL26 | 124.3° | 119.9° |
| C25 | C24 | H241 | 121.2° | 120.0° |
| C27 | C25 | CL26 | 114.3° | 120.0° |
| C25 | C27 | H271 | 119.5° | 119.9° |
| H181 | C18 | H182 | 109.5° | 112.9° |
| H192 | C19 | H191 | 109.5° | 112.9° |
| H201 | C20 | H202 | 109.4° | 112.9° |
| H1 | N03 | H031 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C04 | S08 | 19.8° | 180.0° |
| N01 | C02 | C04 | N03 | 174.9° | 179.7° |
| N01 | C02 | C04 | C05 | 158.3° | 0.3° |
| N01 | C02 | N03 | H1 | 174.6° | 179.7° |
| N01 | C02 | N03 | H031 | 5.4° | 0.3° |
| S08 | C07 | C06 | H071 | 180.0° | 179.7° |
| C07 | S08 | C04 | C02 | 177.7° | 179.9° |
| C07 | S08 | C04 | C05 | 0.5° | 0.4° |
| S08 | C07 | C06 | C05 | 1.8° | 0.3° |
| S08 | C07 | C06 | C09 | 177.5° | 179.8° |
| C04 | S08 | C07 | C06 | 1.4° | 0.4° |
| S08 | C04 | C02 | C05 | 178.0° | 179.7° |
| S08 | C04 | C02 | N03 | 165.4° | 0.3° |
| S08 | C04 | C05 | C06 | 0.4° | 0.3° |
| S08 | C04 | C05 | H051 | 179.6° | 179.8° |
| C04 | S08 | C07 | H071 | 178.6° | 180.0° |
| C07 | C06 | C05 | C04 | 1.4° | 0.0° |
| C07 | C06 | C05 | C09 | 176.1° | 180.0° |
| C07 | C06 | C09 | C10 | 27.2° | 179.8° |
| C07 | C06 | C09 | C29 | 158.1° | 0.1° |
| C07 | C06 | C05 | H051 | 178.6° | 179.9° |
| C02 | C04 | C05 | C06 | 178.8° | 180.0° |
| C02 | C04 | C05 | H051 | 1.2° | 0.1° |
| C04 | C02 | N01 | H011 | 174.9° | 179.9° |
| C04 | C02 | N03 | H1 | 0.0° | 0.0° |
| C04 | C02 | N03 | H031 | 180.0° | 180.0° |
| N03 | C02 | C04 | C05 | 16.6° | 180.0° |
| N03 | C02 | N01 | H011 | 0.0° | 0.2° |
| C02 | N03 | H1 | H031 | 180.0° | 179.9° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | C09 | 177.5° | 180.0° |
| C05 | C06 | C09 | C10 | 148.2° | 0.3° |
| C05 | C06 | C09 | C29 | 26.5° | 180.0° |
| C05 | C06 | C07 | H071 | 178.2° | 179.9° |
| C06 | C09 | C10 | C29 | 174.6° | 179.7° |
| C06 | C09 | C10 | C11 | 177.3° | 180.0° |
| C06 | C09 | C29 | C13 | 177.8° | 179.7° |
| C09 | C06 | C05 | H051 | 2.4° | 0.0° |
| C09 | C06 | C07 | H071 | 2.5° | 0.1° |
| C06 | C09 | C10 | H101 | 2.7° | 0.0° |
| C06 | C09 | C29 | H291 | 2.2° | 0.0° |
| C09 | C10 | C11 | H101 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 1.1° | 0.0° |
| C10 | C09 | C29 | C13 | 3.4° | 0.6° |
| C09 | C10 | C11 | H111 | 179.0° | 180.0° |
| C10 | C09 | C29 | H291 | 176.6° | 179.7° |
| C11 | C10 | C09 | C29 | 2.7° | 0.3° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C10 | C11 | C12 | H121 | 179.7° | 179.9° |
| C09 | C29 | C13 | H291 | 180.0° | 179.7° |
| C09 | C29 | C13 | C12 | 2.6° | 0.6° |
| C09 | C29 | C13 | N14 | 179.3° | 179.7° |
| C29 | C09 | C10 | H101 | 177.3° | 179.7° |
| C11 | C12 | C13 | C29 | 1.1° | 0.3° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | N14 | 179.3° | 180.0° |
| C12 | C11 | C10 | H101 | 179.0° | 180.0° |
| C29 | C13 | C12 | N14 | 178.2° | 179.7° |
| C29 | C13 | N14 | C15 | 19.4° | 152.0° |
| C29 | C13 | C12 | H121 | 178.9° | 179.8° |
| C29 | C13 | N14 | H141 | 160.7° | 28.0° |
| C12 | C13 | N14 | C15 | 158.8° | 28.3° |
| C13 | C12 | C11 | H111 | 179.7° | 180.0° |
| C12 | C13 | C29 | H291 | 177.4° | 179.7° |
| C12 | C13 | N14 | H141 | 21.2° | 151.8° |
| C13 | N14 | C15 | H141 | 180.0° | 180.0° |
| C13 | N14 | C15 | O16 | 0.2° | 6.2° |
| C13 | N14 | C15 | C17 | 177.9° | 173.9° |
| N14 | C13 | C12 | H121 | 0.7° | 0.0° |
| N14 | C13 | C29 | H291 | 0.7° | 0.0° |
| N14 | C15 | O16 | C17 | 177.5° | 179.9° |
| N14 | C15 | C17 | C20 | 93.9° | 92.1° |
| N14 | C15 | C17 | O21 | 24.6° | 39.1° |
| N14 | C15 | C17 | C18 | 166.1° | 170.3° |
| O16 | C15 | C17 | C20 | 83.7° | 88.0° |
| O16 | C15 | C17 | O21 | 157.8° | 140.8° |
| O16 | C15 | C17 | C18 | 16.3° | 9.6° |
| O16 | C15 | N14 | H141 | 179.8° | 173.8° |
| C15 | C17 | C20 | O21 | 123.1° | 130.8° |
| C15 | C17 | C20 | C18 | 118.8° | 114.6° |
| C15 | C17 | C20 | C19 | 122.3° | 89.2° |
| C15 | C17 | O21 | C18 | 141.5° | 131.2° |
| C15 | C17 | O21 | C22 | 75.9° | 69.8° |
| C15 | C17 | C18 | C19 | 116.1° | 89.1° |
| C15 | C17 | C18 | H181 | 0.6° | 25.4° |
| C15 | C17 | C18 | H182 | 127.3° | 156.3° |
| C15 | C17 | C20 | H201 | 120.9° | 156.4° |
| C15 | C17 | C20 | H202 | 5.6° | 25.4° |
| C17 | C15 | N14 | H141 | 2.1° | 6.1° |
| C17 | C20 | C19 | H201 | 116.7° | 114.5° |
| C17 | C20 | C19 | H202 | 116.8° | 114.6° |
| C20 | C17 | O21 | C18 | 97.3° | 97.6° |
| C20 | C17 | O21 | C22 | 163.0° | 159.0° |
| C17 | C20 | C19 | C18 | 3.5° | 25.4° |
| C20 | C17 | C18 | H181 | 113.2° | 140.0° |
| C20 | C17 | C18 | H182 | 120.1° | 89.1° |
| C17 | C20 | C19 | H192 | 112.9° | 89.1° |
| C17 | C20 | C19 | H191 | 119.9° | 140.0° |
| C17 | C20 | H201 | H202 | 128.8° | 131.3° |
| C19 | C20 | C17 | O21 | 114.5° | 140.0° |
| C20 | C19 | C18 | H192 | 116.4° | 114.5° |
| C20 | C19 | C18 | H191 | 116.4° | 114.6° |
| C20 | C19 | C18 | H181 | 113.1° | 140.0° |
| C20 | C19 | C18 | H182 | 120.2° | 89.1° |
| C20 | C19 | H192 | H191 | 129.6° | 131.3° |
| C19 | C20 | H201 | H202 | 128.8° | 131.3° |
| O21 | C17 | C18 | C19 | 103.8° | 140.0° |
| C17 | O21 | C22 | C23 | 4.9° | 179.6° |
| C17 | O21 | C22 | C28 | 175.0° | 0.8° |
| O21 | C17 | C18 | H181 | 139.5° | 105.4° |
| O21 | C17 | C18 | H182 | 12.8° | 25.4° |
| O21 | C17 | C20 | H201 | 2.2° | 25.5° |
| O21 | C17 | C20 | H202 | 128.8° | 105.4° |
| C18 | C17 | O21 | C22 | 65.7° | 61.4° |
| C17 | C18 | C19 | H181 | 116.6° | 114.6° |
| C17 | C18 | C19 | H182 | 116.7° | 114.6° |
| C17 | C18 | H181 | H182 | 129.0° | 131.2° |
| C17 | C18 | C19 | H192 | 112.9° | 89.1° |
| C17 | C18 | C19 | H191 | 119.9° | 140.0° |
| C18 | C17 | C20 | H201 | 120.3° | 89.1° |
| C18 | C17 | C20 | H202 | 113.2° | 140.0° |
| O21 | C22 | C23 | C28 | 179.9° | 179.6° |
| O21 | C22 | C23 | C24 | 179.7° | 179.7° |
| O21 | C22 | C28 | C27 | 179.8° | 179.8° |
| O21 | C22 | C23 | H231 | 0.3° | 0.3° |
| O21 | C22 | C28 | H281 | 0.2° | 0.4° |
| C19 | C18 | H181 | H182 | 129.0° | 131.3° |
| C18 | C19 | H192 | H191 | 129.5° | 131.2° |
| C18 | C19 | C20 | H201 | 120.2° | 89.1° |
| C18 | C19 | C20 | H202 | 113.3° | 140.0° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C23 | C22 | C28 | C27 | 0.1° | 0.1° |
| C22 | C23 | C24 | C25 | 0.5° | 0.0° |
| C22 | C23 | C24 | H241 | 179.6° | 179.9° |
| C23 | C22 | C28 | H281 | 179.9° | 180.0° |
| C28 | C22 | C23 | C24 | 0.2° | 0.1° |
| C22 | C28 | C27 | H281 | 180.0° | 179.9° |
| C22 | C28 | C27 | C25 | 0.3° | 0.1° |
| C28 | C22 | C23 | H231 | 179.8° | 179.9° |
| C22 | C28 | C27 | H271 | 179.7° | 179.9° |
| C23 | C24 | C25 | H241 | 180.0° | 179.9° |
| C23 | C24 | C25 | C27 | 0.6° | 0.0° |
| C23 | C24 | C25 | CL26 | 179.0° | 180.0° |
| C28 | C27 | C25 | C24 | 0.6° | 0.0° |
| C28 | C27 | C25 | H271 | 180.0° | 180.0° |
| C28 | C27 | C25 | CL26 | 179.1° | 179.9° |
| C24 | C25 | C27 | CL26 | 178.5° | 180.0° |
| C25 | C24 | C23 | H231 | 179.5° | 180.0° |
| C24 | C25 | C27 | H271 | 179.4° | 180.0° |
| C27 | C25 | C24 | H241 | 179.4° | 180.0° |
| C25 | C27 | C28 | H281 | 179.7° | 180.0° |
| CL26 | C25 | C24 | H241 | 1.0° | 0.1° |
| CL26 | C25 | C27 | H271 | 0.9° | 0.0° |
| H101 | C10 | C11 | H111 | 1.0° | 0.1° |
| H111 | C11 | C12 | H121 | 0.3° | 0.0° |
| H181 | C18 | C19 | H192 | 130.4° | 25.5° |
| H181 | C18 | C19 | H191 | 3.3° | 105.4° |
| H182 | C18 | C19 | H192 | 3.7° | 156.3° |
| H182 | C18 | C19 | H191 | 123.4° | 25.5° |
| H192 | C19 | C20 | H201 | 3.8° | 156.4° |
| H192 | C19 | C20 | H202 | 130.3° | 25.4° |
| H191 | C19 | C20 | H201 | 123.3° | 25.5° |
| H191 | C19 | C20 | H202 | 3.1° | 105.5° |
| H231 | C23 | C24 | H241 | 0.5° | 0.0° |
| H271 | C27 | C28 | H281 | 0.3° | 0.0° |
