YPO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C05 | sing | 1.47Å | 1.48Å | |
| C05 | O06 | doub | 1.21Å | 1.23Å | |
| C05 | C07 | sing | 1.51Å | 1.50Å | |
| C07 | C08 | sing | 1.53Å | 1.48Å | |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | F16 | sing | 1.40Å | 1.34Å | |
| C15 | F17 | sing | 1.40Å | 1.33Å | |
| C15 | F18 | sing | 1.40Å | 1.32Å | |
| C01 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | N21 | sing | 1.39Å | 1.44Å | |
| N21 | C22 | sing | 1.35Å | 1.43Å | |
| C22 | O23 | doub | 1.21Å | 1.22Å | |
| C22 | C24 | sing | 1.51Å | 1.50Å | |
| C19 | N25 | sing | 1.40Å | 1.43Å | |
| C01 | H26 | sing | 1.08Å | 1.08Å | |
| C04 | H28 | sing | 1.08Å | 1.08Å | |
| C07 | H30 | sing | 1.09Å | 1.10Å | |
| C07 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H33 | sing | 1.08Å | 1.08Å | |
| C11 | H34 | sing | 1.08Å | 1.08Å | |
| C13 | H35 | sing | 1.08Å | 1.08Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C03 | H27 | sing | 1.08Å | 1.08Å | |
| C08 | H31 | sing | 1.09Å | 1.10Å | |
| C08 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.08Å | 1.08Å | |
| N21 | H37 | sing | 0.97Å | 1.00Å | |
| N25 | H41 | sing | 0.97Å | 1.00Å | |
| N25 | H42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 120.9° | 119.8° |
| C01 | C02 | C05 | 117.4° | 120.1° |
| C02 | C01 | C19 | 120.6° | 119.9° |
| C02 | C01 | H26 | 119.7° | 120.0° |
| C02 | C03 | C04 | 118.7° | 120.1° |
| C03 | C02 | C05 | 121.7° | 120.1° |
| C02 | C03 | H27 | 120.6° | 119.9° |
| C03 | C04 | C20 | 120.7° | 120.2° |
| C03 | C04 | H28 | 119.6° | 119.9° |
| C04 | C03 | H27 | 120.6° | 120.0° |
| C02 | C05 | O06 | 117.4° | 120.0° |
| C02 | C05 | C07 | 119.2° | 120.0° |
| O06 | C05 | C07 | 123.5° | 120.0° |
| C05 | C07 | C08 | 111.9° | 109.5° |
| C05 | C07 | H30 | 108.9° | 109.5° |
| C05 | C07 | H29 | 108.9° | 109.4° |
| C07 | C08 | C09 | 111.9° | 109.4° |
| C08 | C07 | H30 | 108.8° | 109.5° |
| C08 | C07 | H29 | 108.9° | 109.5° |
| C07 | C08 | H31 | 108.9° | 109.5° |
| C07 | C08 | H32 | 108.9° | 109.5° |
| C08 | C09 | C10 | 121.6° | 120.0° |
| C08 | C09 | C14 | 118.9° | 120.0° |
| C09 | C08 | H31 | 108.8° | 109.5° |
| C09 | C08 | H32 | 108.9° | 109.4° |
| C09 | C10 | C11 | 118.9° | 120.0° |
| C10 | C09 | C14 | 119.5° | 120.0° |
| C09 | C10 | H33 | 120.5° | 120.0° |
| C10 | C11 | C12 | 121.2° | 120.0° |
| C11 | C10 | H33 | 120.5° | 120.0° |
| C10 | C11 | H34 | 119.4° | 120.0° |
| C11 | C12 | C13 | 119.2° | 120.0° |
| C11 | C12 | C15 | 122.1° | 120.0° |
| C12 | C11 | H34 | 119.4° | 120.0° |
| C12 | C13 | C14 | 119.6° | 120.0° |
| C13 | C12 | C15 | 118.6° | 120.0° |
| C12 | C13 | H35 | 120.2° | 120.0° |
| C09 | C14 | C13 | 121.6° | 120.0° |
| C09 | C14 | H36 | 119.2° | 120.0° |
| C14 | C13 | H35 | 120.2° | 120.0° |
| C13 | C14 | H36 | 119.2° | 120.0° |
| C12 | C15 | F16 | 112.1° | 109.5° |
| C12 | C15 | F17 | 110.4° | 109.5° |
| C12 | C15 | F18 | 109.3° | 109.5° |
| F16 | C15 | F17 | 105.4° | 109.5° |
| F16 | C15 | F18 | 112.1° | 109.4° |
| F17 | C15 | F18 | 107.5° | 109.5° |
| C01 | C19 | C20 | 119.1° | 120.0° |
| C01 | C19 | N25 | 116.9° | 120.0° |
| C19 | C01 | H26 | 119.7° | 120.1° |
| C04 | C20 | C19 | 120.0° | 120.2° |
| C04 | C20 | N21 | 116.4° | 119.9° |
| C20 | C04 | H28 | 119.6° | 119.9° |
| C19 | C20 | N21 | 123.6° | 119.9° |
| C20 | C19 | N25 | 124.1° | 120.0° |
| C20 | N21 | C22 | 122.2° | 120.0° |
| C20 | N21 | H37 | 118.9° | 120.0° |
| N21 | C22 | O23 | 120.0° | 120.0° |
| N21 | C22 | C24 | 119.8° | 120.0° |
| C22 | N21 | H37 | 118.9° | 120.0° |
| O23 | C22 | C24 | 120.2° | 120.0° |
| C22 | C24 | H39 | 109.5° | 109.5° |
| C22 | C24 | H40 | 109.5° | 109.5° |
| C22 | C24 | H38 | 109.5° | 109.4° |
| C19 | N25 | H41 | 109.5° | 120.0° |
| C19 | N25 | H42 | 109.5° | 120.0° |
| H30 | C07 | H29 | 109.5° | 109.5° |
| H39 | C24 | H40 | 109.5° | 109.5° |
| H39 | C24 | H38 | 109.4° | 109.5° |
| H40 | C24 | H38 | 109.5° | 109.4° |
| H31 | C08 | H32 | 109.5° | 109.5° |
| H41 | N25 | H42 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C05 | 179.9° | 179.9° |
| C01 | C02 | C03 | C04 | 0.0° | 0.1° |
| C01 | C02 | C05 | O06 | 3.5° | 0.1° |
| C01 | C02 | C05 | C07 | 178.0° | 180.0° |
| C02 | C01 | C19 | H26 | 180.0° | 179.8° |
| C02 | C01 | C19 | C20 | 0.9° | 0.0° |
| C02 | C01 | C19 | N25 | 179.5° | 180.0° |
| C01 | C02 | C03 | H27 | 179.9° | 180.0° |
| C02 | C03 | C04 | H27 | 180.0° | 179.9° |
| C03 | C02 | C05 | O06 | 176.4° | 179.9° |
| C03 | C02 | C05 | C07 | 2.1° | 0.1° |
| C03 | C02 | C01 | C19 | 0.7° | 0.1° |
| C02 | C03 | C04 | C20 | 0.5° | 0.0° |
| C03 | C02 | C01 | H26 | 179.3° | 179.7° |
| C02 | C03 | C04 | H28 | 179.5° | 180.0° |
| C04 | C03 | C02 | C05 | 179.9° | 179.9° |
| C03 | C04 | C20 | H28 | 180.0° | 180.0° |
| C03 | C04 | C20 | C19 | 0.3° | 0.1° |
| C03 | C04 | C20 | N21 | 180.0° | 180.0° |
| C02 | C05 | O06 | C07 | 178.4° | 179.9° |
| C02 | C05 | C07 | C08 | 174.3° | 179.9° |
| C05 | C02 | C01 | C19 | 179.4° | 180.0° |
| C05 | C02 | C01 | H26 | 0.6° | 0.2° |
| C02 | C05 | C07 | H30 | 53.9° | 60.0° |
| C02 | C05 | C07 | H29 | 65.4° | 60.0° |
| C05 | C02 | C03 | H27 | 0.1° | 0.2° |
| O06 | C05 | C07 | C08 | 7.3° | 0.0° |
| O06 | C05 | C07 | H30 | 127.7° | 120.0° |
| O06 | C05 | C07 | H29 | 113.0° | 120.0° |
| C05 | C07 | C08 | H30 | 120.4° | 120.0° |
| C05 | C07 | C08 | H29 | 120.4° | 120.0° |
| C05 | C07 | C08 | C09 | 178.2° | 180.0° |
| C05 | C07 | H30 | H29 | 118.9° | 119.9° |
| C05 | C07 | C08 | H31 | 57.9° | 60.0° |
| C05 | C07 | C08 | H32 | 61.4° | 60.0° |
| C07 | C08 | C09 | H31 | 120.4° | 120.0° |
| C07 | C08 | C09 | H32 | 120.4° | 120.0° |
| C07 | C08 | C09 | C10 | 63.2° | 90.0° |
| C07 | C08 | C09 | C14 | 116.7° | 90.0° |
| C08 | C07 | H30 | H29 | 118.9° | 120.0° |
| C07 | C08 | H31 | H32 | 118.9° | 120.0° |
| C08 | C09 | C10 | C14 | 179.9° | 180.0° |
| C08 | C09 | C10 | C11 | 179.1° | 180.0° |
| C08 | C09 | C14 | C13 | 179.5° | 179.5° |
| C09 | C08 | C07 | H30 | 61.4° | 60.0° |
| C09 | C08 | C07 | H29 | 57.8° | 60.0° |
| C08 | C09 | C10 | H33 | 0.9° | 0.2° |
| C09 | C08 | H31 | H32 | 118.9° | 120.0° |
| C08 | C09 | C14 | H36 | 0.5° | 0.2° |
| C09 | C10 | C11 | H33 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 1.0° | 0.2° |
| C10 | C09 | C14 | C13 | 0.6° | 0.5° |
| C09 | C10 | C11 | H34 | 179.0° | 179.8° |
| C10 | C09 | C08 | H31 | 176.4° | 29.9° |
| C10 | C09 | C08 | H32 | 57.1° | 150.0° |
| C10 | C09 | C14 | H36 | 179.5° | 179.8° |
| C10 | C11 | C12 | H34 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.0° |
| C11 | C10 | C09 | C14 | 1.0° | 0.0° |
| C10 | C11 | C12 | C15 | 180.0° | 180.0° |
| C11 | C12 | C13 | C15 | 179.4° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.6° |
| C11 | C12 | C15 | F16 | 127.1° | 90.0° |
| C11 | C12 | C15 | F17 | 115.7° | 150.0° |
| C11 | C12 | C15 | F18 | 2.3° | 30.0° |
| C12 | C11 | C10 | H33 | 179.0° | 180.0° |
| C11 | C12 | C13 | H35 | 179.8° | 179.8° |
| C12 | C13 | C14 | C09 | 0.2° | 0.8° |
| C12 | C13 | C14 | H35 | 180.0° | 179.2° |
| C13 | C12 | C15 | F16 | 53.4° | 90.1° |
| C13 | C12 | C15 | F17 | 63.7° | 29.9° |
| C13 | C12 | C15 | F18 | 178.3° | 150.0° |
| C13 | C12 | C11 | H34 | 179.4° | 180.0° |
| C12 | C13 | C14 | H36 | 179.9° | 180.0° |
| C09 | C14 | C13 | H36 | 180.0° | 179.2° |
| C14 | C09 | C10 | H33 | 179.0° | 179.8° |
| C09 | C14 | C13 | H35 | 179.8° | 180.0° |
| C14 | C09 | C08 | H31 | 3.7° | 150.0° |
| C14 | C09 | C08 | H32 | 123.0° | 30.0° |
| C14 | C13 | C12 | C15 | 179.6° | 179.5° |
| C12 | C15 | F16 | F17 | 120.1° | 120.0° |
| C12 | C15 | F16 | F18 | 123.3° | 120.0° |
| C12 | C15 | F17 | F18 | 119.1° | 120.0° |
| C15 | C12 | C11 | H34 | 0.0° | 0.0° |
| C15 | C12 | C13 | H35 | 0.4° | 0.3° |
| F16 | C15 | F17 | F18 | 119.7° | 119.9° |
| C01 | C19 | C20 | C04 | 0.3° | 0.0° |
| C01 | C19 | C20 | N25 | 179.7° | 180.0° |
| C01 | C19 | C20 | N21 | 179.3° | 180.0° |
| C01 | C19 | N25 | H41 | 180.0° | 0.0° |
| C01 | C19 | N25 | H42 | 60.0° | 179.9° |
| C04 | C20 | C19 | N21 | 179.6° | 179.9° |
| C04 | C20 | N21 | C22 | 118.6° | 24.8° |
| C04 | C20 | C19 | N25 | 180.0° | 179.9° |
| C20 | C04 | C03 | H27 | 179.5° | 179.9° |
| C04 | C20 | N21 | H37 | 61.4° | 155.1° |
| C19 | C20 | N21 | C22 | 61.8° | 155.1° |
| C20 | C19 | C01 | H26 | 179.1° | 179.8° |
| C19 | C20 | C04 | H28 | 179.6° | 180.0° |
| C19 | C20 | N21 | H37 | 118.2° | 25.0° |
| C20 | C19 | N25 | H41 | 0.4° | 180.0° |
| C20 | C19 | N25 | H42 | 120.4° | 0.1° |
| C20 | N21 | C22 | H37 | 180.0° | 179.9° |
| C20 | N21 | C22 | O23 | 1.3° | 5.5° |
| C20 | N21 | C22 | C24 | 179.0° | 174.4° |
| N21 | C20 | C19 | N25 | 0.4° | 0.0° |
| N21 | C20 | C04 | H28 | 0.0° | 0.1° |
| N21 | C22 | O23 | C24 | 179.7° | 180.0° |
| N21 | C22 | C24 | H39 | 179.7° | 90.0° |
| N21 | C22 | C24 | H40 | 59.7° | 30.0° |
| N21 | C22 | C24 | H38 | 60.3° | 150.0° |
| O23 | C22 | C24 | H39 | 0.0° | 90.0° |
| O23 | C22 | C24 | H40 | 120.0° | 150.0° |
| O23 | C22 | C24 | H38 | 120.0° | 30.0° |
| O23 | C22 | N21 | H37 | 178.7° | 174.6° |
| C22 | C24 | H39 | H40 | 120.0° | 120.0° |
| C22 | C24 | H39 | H38 | 120.0° | 120.0° |
| C22 | C24 | H40 | H38 | 120.0° | 119.9° |
| C24 | C22 | N21 | H37 | 1.0° | 5.4° |
| N25 | C19 | C01 | H26 | 0.5° | 0.2° |
| C19 | N25 | H41 | H42 | 120.0° | 179.9° |
| H28 | C04 | C03 | H27 | 0.5° | 0.1° |
| H30 | C07 | C08 | H31 | 178.2° | 180.0° |
| H30 | C07 | C08 | H32 | 59.0° | 60.0° |
| H29 | C07 | C08 | H31 | 62.5° | 59.9° |
| H29 | C07 | C08 | H32 | 178.2° | 180.0° |
| H33 | C10 | C11 | H34 | 1.0° | 0.0° |
| H35 | C13 | C14 | H36 | 0.2° | 0.7° |
| H39 | C24 | H40 | H38 | 120.0° | 120.0° |
