YRP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL28 | C25 | sing | 1.74Å | 1.76Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.43Å | Aromatic |
| O20 | C08 | doub | 1.21Å | 1.19Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | N21 | sing | 1.40Å | 1.46Å | |
| C08 | N21 | sing | 1.35Å | 1.45Å | |
| C08 | C07 | sing | 1.51Å | 1.59Å | |
| C07 | C06 | sing | 1.53Å | 1.59Å | |
| C07 | C29 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.55Å | 1.52Å | |
| C06 | C04 | sing | 1.53Å | 1.52Å | |
| C05 | C01 | sing | 1.54Å | 1.54Å | |
| C05 | C04 | sing | 1.54Å | 1.45Å | |
| C01 | C02 | sing | 1.55Å | 1.55Å | |
| F18 | C15 | sing | 1.35Å | 1.34Å | |
| C14 | C15 | doub | 1.38Å | 1.36Å | Aromatic |
| C14 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| C04 | C03 | sing | 1.54Å | 1.54Å | |
| C02 | N09 | sing | 1.47Å | 1.46Å | |
| C02 | C03 | sing | 1.55Å | 1.55Å | |
| C10 | N09 | sing | 1.38Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.41Å | 1.44Å | Aromatic |
| F19 | C16 | sing | 1.35Å | 1.33Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| N09 | C13 | sing | 1.36Å | 1.42Å | Aromatic |
| C11 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | N12 | sing | 1.36Å | 1.42Å | Aromatic |
| C13 | N12 | doub | 1.30Å | 1.33Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| N21 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL28 | C25 | C24 | 120.6° | 120.0° |
| CL28 | C25 | C26 | 119.7° | 120.0° |
| C25 | C24 | C23 | 119.5° | 120.1° |
| C24 | C25 | C26 | 119.7° | 120.1° |
| C25 | C24 | H14 | 120.3° | 120.0° |
| C24 | C23 | C22 | 123.4° | 119.9° |
| C24 | C23 | H13 | 118.3° | 120.1° |
| C23 | C24 | H14 | 120.3° | 120.0° |
| C25 | C26 | C27 | 120.2° | 120.1° |
| C25 | C26 | H15 | 119.9° | 119.9° |
| C23 | C22 | C27 | 114.0° | 119.9° |
| C23 | C22 | N21 | 124.9° | 120.0° |
| C22 | C23 | H13 | 118.3° | 120.0° |
| O20 | C08 | N21 | 120.0° | 120.0° |
| O20 | C08 | C07 | 114.5° | 120.0° |
| C26 | C27 | C22 | 123.2° | 120.0° |
| C27 | C26 | H15 | 119.9° | 120.0° |
| C26 | C27 | H16 | 118.4° | 120.1° |
| C27 | C22 | N21 | 121.1° | 120.1° |
| C22 | C27 | H16 | 118.4° | 120.0° |
| C22 | N21 | C08 | 127.4° | 120.0° |
| C22 | N21 | H20 | 116.3° | 120.0° |
| N21 | C08 | C07 | 125.5° | 120.0° |
| C08 | N21 | H20 | 116.3° | 120.0° |
| C08 | C07 | C06 | 110.4° | 109.5° |
| C08 | C07 | C29 | 109.9° | 109.4° |
| C08 | C07 | H11 | 108.0° | 109.5° |
| C06 | C07 | C29 | 111.8° | 109.5° |
| C07 | C06 | C05 | 115.1° | 117.5° |
| C07 | C06 | C04 | 121.6° | 117.9° |
| C07 | C06 | H10 | 115.8° | 115.5° |
| C06 | C07 | H11 | 108.0° | 109.5° |
| C29 | C07 | H11 | 108.6° | 109.5° |
| C07 | C29 | H17 | 109.5° | 109.5° |
| C07 | C29 | H18 | 109.4° | 109.5° |
| C07 | C29 | H19 | 109.5° | 109.5° |
| C05 | C06 | C04 | 57.2° | 59.8° |
| C06 | C05 | C01 | 134.1° | 118.3° |
| C06 | C05 | C04 | 61.5° | 59.3° |
| C06 | C05 | H9 | 112.8° | 119.9° |
| C05 | C06 | H10 | 117.1° | 117.5° |
| C06 | C04 | C05 | 61.3° | 60.9° |
| C06 | C04 | C03 | 130.4° | 118.2° |
| C06 | C04 | H8 | 114.0° | 119.3° |
| C04 | C06 | H10 | 117.0° | 117.3° |
| C01 | C05 | C04 | 105.5° | 106.7° |
| C05 | C01 | C02 | 100.8° | 104.2° |
| C05 | C01 | H3 | 111.6° | 110.5° |
| C05 | C01 | H4 | 111.6° | 110.6° |
| C01 | C05 | H9 | 112.5° | 117.4° |
| C05 | C04 | C03 | 108.6° | 106.6° |
| C05 | C04 | H8 | 115.2° | 121.4° |
| C04 | C05 | H9 | 113.8° | 121.3° |
| C01 | C02 | N09 | 121.4° | 110.7° |
| C01 | C02 | C03 | 99.1° | 102.7° |
| C02 | C01 | H3 | 111.6° | 110.5° |
| C02 | C01 | H4 | 111.6° | 110.5° |
| C01 | C02 | H5 | 106.5° | 110.7° |
| F18 | C15 | C14 | 121.6° | 119.8° |
| F18 | C15 | C16 | 116.8° | 119.8° |
| C15 | C14 | C10 | 119.5° | 119.8° |
| C14 | C15 | C16 | 121.6° | 120.4° |
| C15 | C14 | H1 | 120.2° | 120.1° |
| C14 | C10 | N09 | 131.8° | 134.0° |
| C14 | C10 | C11 | 120.8° | 120.0° |
| C10 | C14 | H1 | 120.2° | 120.1° |
| C15 | C16 | F19 | 117.3° | 119.7° |
| C15 | C16 | C17 | 119.1° | 120.5° |
| C04 | C03 | C02 | 100.6° | 104.2° |
| C04 | C03 | H6 | 111.7° | 110.5° |
| C04 | C03 | H7 | 111.7° | 110.6° |
| C03 | C04 | H8 | 113.6° | 117.4° |
| N09 | C02 | C03 | 114.6° | 110.8° |
| C02 | N09 | C10 | 125.9° | 126.3° |
| C02 | N09 | C13 | 130.5° | 126.3° |
| N09 | C02 | H5 | 107.6° | 110.7° |
| C03 | C02 | H5 | 106.5° | 110.9° |
| C02 | C03 | H6 | 111.6° | 110.5° |
| C02 | C03 | H7 | 111.6° | 110.5° |
| N09 | C10 | C11 | 107.4° | 106.0° |
| C10 | N09 | C13 | 103.6° | 107.3° |
| C10 | C11 | C17 | 118.9° | 119.5° |
| C10 | C11 | N12 | 108.4° | 107.0° |
| F19 | C16 | C17 | 123.6° | 119.8° |
| C16 | C17 | C11 | 120.0° | 119.8° |
| C16 | C17 | H12 | 120.0° | 120.1° |
| N09 | C13 | N12 | 114.6° | 110.1° |
| N09 | C13 | H2 | 122.7° | 125.0° |
| C17 | C11 | N12 | 132.6° | 133.5° |
| C11 | C17 | H12 | 120.0° | 120.1° |
| C11 | N12 | C13 | 105.9° | 109.7° |
| N12 | C13 | H2 | 122.7° | 124.9° |
| H3 | C01 | H4 | 109.4° | 110.4° |
| H6 | C03 | H7 | 109.5° | 110.4° |
| H17 | C29 | H18 | 109.5° | 109.4° |
| H17 | C29 | H19 | 109.4° | 109.4° |
| H18 | C29 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL28 | C25 | C24 | C26 | 179.9° | 180.0° |
| CL28 | C25 | C24 | C23 | 180.0° | 180.0° |
| CL28 | C25 | C26 | C27 | 180.0° | 180.0° |
| CL28 | C25 | C24 | H14 | 0.0° | 0.1° |
| CL28 | C25 | C26 | H15 | 0.0° | 0.0° |
| C25 | C24 | C23 | H14 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.1° | 0.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C25 | C24 | C23 | H13 | 179.8° | 179.9° |
| C24 | C25 | C26 | H15 | 179.9° | 179.9° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C24 | C23 | C22 | H13 | 180.0° | 179.9° |
| C24 | C23 | C22 | C27 | 0.2° | 0.0° |
| C24 | C23 | C22 | N21 | 179.7° | 179.7° |
| C25 | C26 | C27 | H15 | 180.0° | 179.9° |
| C25 | C26 | C27 | C22 | 0.2° | 0.0° |
| C26 | C25 | C24 | H14 | 179.9° | 180.0° |
| C25 | C26 | C27 | H16 | 179.8° | 179.8° |
| C23 | C22 | C27 | C26 | 0.3° | 0.0° |
| C23 | C22 | C27 | N21 | 179.5° | 179.8° |
| C23 | C22 | N21 | C08 | 16.7° | 35.3° |
| C22 | C23 | C24 | H14 | 179.9° | 179.9° |
| C23 | C22 | C27 | H16 | 179.8° | 179.8° |
| C23 | C22 | N21 | H20 | 163.3° | 144.7° |
| O20 | C08 | N21 | C22 | 0.6° | 4.7° |
| O20 | C08 | N21 | C07 | 178.5° | 180.0° |
| O20 | C08 | C07 | C06 | 78.0° | 0.0° |
| O20 | C08 | C07 | C29 | 158.2° | 120.0° |
| O20 | C08 | C07 | H11 | 39.8° | 120.0° |
| O20 | C08 | N21 | H20 | 179.4° | 175.4° |
| C26 | C27 | C22 | H16 | 180.0° | 179.8° |
| C26 | C27 | C22 | N21 | 179.8° | 179.7° |
| C27 | C22 | N21 | C08 | 162.7° | 144.9° |
| C27 | C22 | C23 | H13 | 179.7° | 180.0° |
| C22 | C27 | C26 | H15 | 179.8° | 179.9° |
| C27 | C22 | N21 | H20 | 17.3° | 35.1° |
| C22 | N21 | C08 | H20 | 180.0° | 180.0° |
| C22 | N21 | C08 | C07 | 179.1° | 175.4° |
| N21 | C22 | C23 | H13 | 0.3° | 0.2° |
| N21 | C22 | C27 | H16 | 0.3° | 0.1° |
| N21 | C08 | C07 | C06 | 100.5° | 180.0° |
| N21 | C08 | C07 | C29 | 23.3° | 60.0° |
| N21 | C08 | C07 | H11 | 141.6° | 60.0° |
| C08 | C07 | C06 | C29 | 122.6° | 120.0° |
| C08 | C07 | C06 | H11 | 117.9° | 120.0° |
| C08 | C07 | C29 | H11 | 118.0° | 120.0° |
| C08 | C07 | C06 | C05 | 14.7° | 180.0° |
| C08 | C07 | C06 | C04 | 80.2° | 111.5° |
| C08 | C07 | C06 | H10 | 127.1° | 34.5° |
| C08 | C07 | C29 | H17 | 180.0° | 60.0° |
| C08 | C07 | C29 | H18 | 60.0° | 180.0° |
| C08 | C07 | C29 | H19 | 60.0° | 60.0° |
| C07 | C08 | N21 | H20 | 0.9° | 4.6° |
| C06 | C07 | C29 | H11 | 119.1° | 120.0° |
| C07 | C06 | C05 | C04 | 112.7° | 107.9° |
| C07 | C06 | C05 | H10 | 141.2° | 144.9° |
| C07 | C06 | C04 | H10 | 152.4° | 145.3° |
| C07 | C06 | C05 | C01 | 163.2° | 158.7° |
| C07 | C06 | C04 | C03 | 168.0° | 158.6° |
| C07 | C06 | C04 | H8 | 5.4° | 4.5° |
| C07 | C06 | C05 | H9 | 7.0° | 3.0° |
| C06 | C07 | C29 | H17 | 57.1° | 180.0° |
| C06 | C07 | C29 | H18 | 62.9° | 60.0° |
| C06 | C07 | C29 | H19 | 177.0° | 60.0° |
| C29 | C07 | C06 | C05 | 108.0° | 60.0° |
| C29 | C07 | C06 | C04 | 42.5° | 128.6° |
| C29 | C07 | C06 | H10 | 110.3° | 85.5° |
| C07 | C29 | H17 | H18 | 120.0° | 120.0° |
| C07 | C29 | H17 | H19 | 120.0° | 120.1° |
| C07 | C29 | H18 | H19 | 120.0° | 120.1° |
| C05 | C06 | C04 | H10 | 106.3° | 107.5° |
| C06 | C05 | C01 | C04 | 65.1° | 63.6° |
| C06 | C05 | C01 | H9 | 170.2° | 156.4° |
| C06 | C05 | C04 | H9 | 104.0° | 108.4° |
| C06 | C05 | C01 | C02 | 31.0° | 40.0° |
| C05 | C06 | C04 | C03 | 90.6° | 94.1° |
| C06 | C05 | C01 | H3 | 87.6° | 158.6° |
| C06 | C05 | C01 | H4 | 149.6° | 78.7° |
| C05 | C06 | C04 | H8 | 106.7° | 111.8° |
| C05 | C06 | C07 | H11 | 132.6° | 60.0° |
| C06 | C04 | C03 | H8 | 162.7° | 154.6° |
| C06 | C04 | C03 | C02 | 42.6° | 41.8° |
| C06 | C04 | C03 | H6 | 161.2° | 76.9° |
| C06 | C04 | C03 | H7 | 75.9° | 160.5° |
| C04 | C06 | C07 | H11 | 161.9° | 8.6° |
| C01 | C05 | C04 | H9 | 123.8° | 138.1° |
| C05 | C01 | C02 | H3 | 118.6° | 118.7° |
| C05 | C01 | C02 | H4 | 118.6° | 118.8° |
| C01 | C05 | C04 | C03 | 5.6° | 0.0° |
| C05 | C01 | C02 | N09 | 175.1° | 156.2° |
| C05 | C01 | C02 | C03 | 48.8° | 37.9° |
| C05 | C01 | H3 | H4 | 124.0° | 122.7° |
| C05 | C01 | C02 | H5 | 61.6° | 80.6° |
| C01 | C05 | C04 | H8 | 123.0° | 138.0° |
| C01 | C05 | C06 | H10 | 22.0° | 13.9° |
| C04 | C05 | C01 | C02 | 34.1° | 23.6° |
| C05 | C04 | C03 | H8 | 129.6° | 140.0° |
| C05 | C04 | C03 | C02 | 25.0° | 23.6° |
| C04 | C05 | C01 | H3 | 152.7° | 95.0° |
| C04 | C05 | C01 | H4 | 84.5° | 142.3° |
| C05 | C04 | C03 | H6 | 93.5° | 142.3° |
| C05 | C04 | C03 | H7 | 143.6° | 95.1° |
| C01 | C02 | C03 | C04 | 44.7° | 38.0° |
| C01 | C02 | N09 | C03 | 118.9° | 113.3° |
| C01 | C02 | N09 | H5 | 122.8° | 123.2° |
| C01 | C02 | C03 | H5 | 110.3° | 118.3° |
| C01 | C02 | N09 | C10 | 112.4° | 120.0° |
| C01 | C02 | N09 | C13 | 68.6° | 60.0° |
| C02 | C01 | H3 | H4 | 124.0° | 122.5° |
| C01 | C02 | C03 | H6 | 73.8° | 156.6° |
| C01 | C02 | C03 | H7 | 163.3° | 80.9° |
| C02 | C01 | C05 | H9 | 158.8° | 163.6° |
| F18 | C15 | C14 | C16 | 180.0° | 180.0° |
| F18 | C15 | C14 | C10 | 179.9° | 180.0° |
| F18 | C15 | C16 | F19 | 0.0° | 0.0° |
| F18 | C15 | C16 | C17 | 179.9° | 180.0° |
| F18 | C15 | C14 | H1 | 0.1° | 0.4° |
| C15 | C14 | C10 | H1 | 180.0° | 179.7° |
| C15 | C14 | C10 | N09 | 179.8° | 180.0° |
| C15 | C14 | C10 | C11 | 0.0° | 0.0° |
| C14 | C15 | C16 | F19 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C10 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C10 | N09 | C02 | 0.6° | 0.1° |
| C14 | C10 | N09 | C11 | 179.8° | 180.0° |
| C14 | C10 | N09 | C13 | 179.9° | 180.0° |
| C14 | C10 | C11 | C17 | 0.0° | 0.1° |
| C14 | C10 | C11 | N12 | 179.9° | 180.0° |
| C15 | C16 | F19 | C17 | 179.9° | 180.0° |
| C15 | C16 | C17 | C11 | 0.0° | 0.0° |
| C16 | C15 | C14 | H1 | 180.0° | 179.7° |
| C15 | C16 | C17 | H12 | 180.0° | 179.9° |
| C04 | C03 | C02 | N09 | 175.6° | 156.2° |
| C04 | C03 | C02 | H6 | 118.5° | 118.6° |
| C04 | C03 | C02 | H7 | 118.5° | 118.9° |
| C04 | C03 | C02 | H5 | 65.6° | 80.4° |
| C04 | C03 | H6 | H7 | 124.2° | 122.7° |
| C03 | C04 | C05 | H9 | 129.4° | 138.1° |
| C03 | C04 | C06 | H10 | 15.7° | 13.3° |
| N09 | C02 | C03 | H5 | 118.8° | 123.4° |
| C02 | N09 | C10 | C13 | 179.2° | 180.0° |
| C02 | N09 | C10 | C11 | 179.5° | 180.0° |
| C02 | N09 | C13 | N12 | 179.5° | 180.0° |
| C02 | N09 | C13 | H2 | 0.5° | 0.0° |
| N09 | C02 | C01 | H3 | 66.3° | 37.6° |
| N09 | C02 | C01 | H4 | 56.5° | 84.9° |
| N09 | C02 | C03 | H6 | 57.1° | 85.1° |
| N09 | C02 | C03 | H7 | 65.9° | 37.4° |
| C03 | C02 | N09 | C10 | 128.7° | 126.7° |
| C03 | C02 | N09 | C13 | 50.3° | 53.3° |
| C03 | C02 | C01 | H3 | 167.4° | 80.7° |
| C03 | C02 | C01 | H4 | 69.8° | 156.8° |
| C02 | C03 | H6 | H7 | 124.1° | 122.5° |
| C02 | C03 | C04 | H8 | 154.6° | 163.6° |
| N09 | C10 | C11 | C17 | 179.9° | 180.0° |
| N09 | C10 | C11 | N12 | 0.2° | 0.0° |
| C10 | N09 | C13 | N12 | 0.3° | 0.0° |
| N09 | C10 | C14 | H1 | 0.2° | 0.3° |
| C10 | N09 | C13 | H2 | 179.7° | 179.9° |
| C10 | N09 | C02 | H5 | 10.5° | 3.1° |
| C10 | C11 | C17 | C16 | 0.0° | 0.0° |
| C11 | C10 | N09 | C13 | 0.3° | 0.0° |
| C10 | C11 | C17 | N12 | 179.9° | 180.0° |
| C10 | C11 | N12 | C13 | 0.0° | 0.0° |
| C11 | C10 | C14 | H1 | 180.0° | 179.7° |
| C10 | C11 | C17 | H12 | 180.0° | 179.9° |
| F19 | C16 | C17 | C11 | 179.9° | 180.0° |
| F19 | C16 | C17 | H12 | 0.1° | 0.1° |
| C16 | C17 | C11 | H12 | 180.0° | 179.9° |
| C16 | C17 | C11 | N12 | 179.9° | 180.0° |
| N09 | C13 | N12 | C11 | 0.2° | 0.0° |
| N09 | C13 | N12 | H2 | 180.0° | 179.9° |
| C13 | N09 | C02 | H5 | 168.5° | 176.8° |
| C17 | C11 | N12 | C13 | 179.9° | 180.0° |
| C11 | N12 | C13 | H2 | 179.8° | 179.9° |
| N12 | C11 | C17 | H12 | 0.1° | 0.1° |
| H3 | C01 | C02 | H5 | 57.0° | 160.8° |
| H3 | C01 | C05 | H9 | 82.6° | 45.0° |
| H4 | C01 | C02 | H5 | 179.8° | 38.3° |
| H4 | C01 | C05 | H9 | 40.1° | 77.6° |
| H5 | C02 | C03 | H6 | 175.9° | 38.3° |
| H5 | C02 | C03 | H7 | 53.0° | 160.7° |
| H6 | C03 | C04 | H8 | 36.1° | 77.7° |
| H7 | C03 | C04 | H8 | 86.9° | 44.9° |
| H8 | C04 | C05 | H9 | 0.8° | 0.1° |
| H8 | C04 | C06 | H10 | 147.0° | 140.8° |
| H9 | C05 | C06 | H10 | 148.2° | 141.9° |
| H10 | C06 | C07 | H11 | 9.2° | 154.5° |
| H11 | C07 | C29 | H17 | 62.0° | 60.0° |
| H11 | C07 | C29 | H18 | 178.0° | 60.0° |
| H11 | C07 | C29 | H19 | 58.0° | 180.0° |
| H13 | C23 | C24 | H14 | 0.2° | 0.0° |
| H15 | C26 | C27 | H16 | 0.2° | 0.3° |
| H17 | C29 | H18 | H19 | 120.0° | 119.9° |
