YPQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.40Å | 1.33Å | |
| C1 | F2 | sing | 1.40Å | 1.34Å | |
| C1 | F3 | sing | 1.40Å | 1.35Å | |
| C1 | C2 | sing | 1.53Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| C4 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C5 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C6 | C7 | sing | 1.52Å | 1.51Å | |
| C7 | C8 | sing | 1.54Å | 1.56Å | |
| C8 | C9 | sing | 1.52Å | 1.47Å | |
| C9 | N2 | doub | 1.28Å | 1.32Å | |
| N2 | O2 | sing | 1.42Å | 1.43Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | F4 | sing | 1.40Å | 1.34Å | |
| C10 | F5 | sing | 1.40Å | 1.32Å | |
| C10 | F6 | sing | 1.40Å | 1.33Å | |
| C7 | C11 | sing | 1.52Å | 1.51Å | |
| C11 | C12 | sing | 1.54Å | 1.50Å | |
| N1 | C12 | sing | 1.47Å | 1.47Å | |
| C7 | O2 | sing | 1.43Å | 1.44Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | F2 | 105.0° | 109.5° |
| F1 | C1 | F3 | 108.7° | 109.5° |
| F1 | C1 | C2 | 110.6° | 109.5° |
| F2 | C1 | F3 | 107.2° | 109.4° |
| F2 | C1 | C2 | 113.4° | 109.5° |
| F3 | C1 | C2 | 111.6° | 109.5° |
| C1 | C2 | C3 | 114.9° | 109.4° |
| C1 | C2 | H1 | 108.1° | 109.5° |
| C1 | C2 | H2 | 108.1° | 109.5° |
| C2 | C3 | C4 | 116.1° | 109.5° |
| C3 | C2 | H1 | 108.1° | 109.5° |
| C3 | C2 | H2 | 108.1° | 109.4° |
| C2 | C3 | H3 | 107.8° | 109.5° |
| C2 | C3 | H4 | 107.8° | 109.4° |
| C3 | C4 | O1 | 120.2° | 120.0° |
| C3 | C4 | N1 | 118.3° | 120.0° |
| C4 | C3 | H3 | 107.8° | 109.5° |
| C4 | C3 | H4 | 107.8° | 109.5° |
| O1 | C4 | N1 | 121.5° | 120.0° |
| C4 | N1 | C5 | 122.1° | 120.6° |
| C4 | N1 | C12 | 127.8° | 120.6° |
| N1 | C5 | C6 | 109.4° | 108.7° |
| C5 | N1 | C12 | 110.1° | 118.9° |
| N1 | C5 | H6 | 109.5° | 109.6° |
| N1 | C5 | H5 | 109.5° | 109.6° |
| C5 | C6 | C7 | 113.5° | 109.5° |
| C6 | C5 | H6 | 109.5° | 109.6° |
| C6 | C5 | H5 | 109.5° | 109.6° |
| C5 | C6 | H7 | 108.5° | 109.5° |
| C5 | C6 | H8 | 108.5° | 109.5° |
| C6 | C7 | C8 | 111.2° | 110.5° |
| C6 | C7 | C11 | 111.9° | 111.4° |
| C6 | C7 | O2 | 104.0° | 110.9° |
| C7 | C6 | H7 | 108.4° | 109.4° |
| C7 | C6 | H8 | 108.4° | 109.5° |
| C7 | C8 | C9 | 102.6° | 102.3° |
| C8 | C7 | C11 | 111.2° | 110.5° |
| C8 | C7 | O2 | 108.4° | 102.3° |
| C7 | C8 | H10 | 111.2° | 110.8° |
| C7 | C8 | H9 | 111.2° | 110.8° |
| C8 | C9 | N2 | 107.0° | 108.5° |
| C8 | C9 | C10 | 122.7° | 125.8° |
| C9 | C8 | H10 | 111.2° | 110.8° |
| C9 | C8 | H9 | 111.2° | 110.8° |
| C9 | N2 | O2 | 118.3° | 113.2° |
| N2 | C9 | C10 | 130.3° | 125.8° |
| N2 | O2 | C7 | 102.0° | 107.4° |
| C9 | C10 | F4 | 116.4° | 109.5° |
| C9 | C10 | F5 | 113.7° | 109.5° |
| C9 | C10 | F6 | 113.4° | 109.5° |
| F4 | C10 | F5 | 99.7° | 109.4° |
| F4 | C10 | F6 | 99.7° | 109.5° |
| F5 | C10 | F6 | 112.4° | 109.5° |
| C7 | C11 | C12 | 110.3° | 109.4° |
| C11 | C7 | O2 | 110.0° | 110.9° |
| C7 | C11 | H11 | 109.2° | 109.5° |
| C7 | C11 | H12 | 109.2° | 109.5° |
| C11 | C12 | N1 | 111.6° | 108.5° |
| C12 | C11 | H11 | 109.3° | 109.6° |
| C12 | C11 | H12 | 109.3° | 109.4° |
| C11 | C12 | H14 | 108.9° | 109.7° |
| C11 | C12 | H13 | 108.9° | 109.7° |
| N1 | C12 | H14 | 108.9° | 109.6° |
| N1 | C12 | H13 | 108.9° | 109.6° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H6 | C5 | H5 | 109.5° | 109.7° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H10 | C8 | H9 | 109.5° | 111.0° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H14 | C12 | H13 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | F2 | F3 | 115.5° | 120.0° |
| F1 | C1 | F2 | C2 | 120.9° | 120.1° |
| F1 | C1 | F3 | C2 | 122.2° | 120.0° |
| F1 | C1 | C2 | C3 | 177.7° | 60.0° |
| F1 | C1 | C2 | H1 | 61.5° | 180.0° |
| F1 | C1 | C2 | H2 | 56.9° | 59.9° |
| F2 | C1 | F3 | C2 | 124.8° | 120.0° |
| F2 | C1 | C2 | C3 | 60.0° | 60.1° |
| F2 | C1 | C2 | H1 | 179.2° | 59.9° |
| F2 | C1 | C2 | H2 | 60.8° | 180.0° |
| F3 | C1 | C2 | C3 | 61.2° | 180.0° |
| F3 | C1 | C2 | H1 | 59.6° | 60.0° |
| F3 | C1 | C2 | H2 | 178.0° | 60.1° |
| C1 | C2 | C3 | H1 | 120.8° | 120.0° |
| C1 | C2 | C3 | H2 | 120.8° | 120.0° |
| C1 | C2 | C3 | C4 | 173.4° | 180.0° |
| C1 | C2 | H1 | H2 | 117.5° | 120.1° |
| C1 | C2 | C3 | H3 | 65.6° | 60.0° |
| C1 | C2 | C3 | H4 | 52.4° | 60.0° |
| C2 | C3 | C4 | H3 | 121.0° | 120.0° |
| C2 | C3 | C4 | H4 | 121.0° | 120.0° |
| C2 | C3 | C4 | O1 | 6.3° | 0.0° |
| C2 | C3 | C4 | N1 | 172.8° | 180.0° |
| C3 | C2 | H1 | H2 | 117.6° | 120.0° |
| C2 | C3 | H3 | H4 | 117.0° | 120.0° |
| C3 | C4 | O1 | N1 | 179.1° | 180.0° |
| C3 | C4 | N1 | C5 | 177.4° | 180.0° |
| C3 | C4 | N1 | C12 | 2.1° | 0.3° |
| C4 | C3 | C2 | H1 | 52.6° | 60.0° |
| C4 | C3 | C2 | H2 | 65.8° | 60.0° |
| C4 | C3 | H3 | H4 | 117.0° | 120.1° |
| O1 | C4 | N1 | C5 | 1.7° | 0.0° |
| O1 | C4 | N1 | C12 | 178.8° | 179.8° |
| O1 | C4 | C3 | H3 | 114.7° | 120.0° |
| O1 | C4 | C3 | H4 | 127.3° | 120.0° |
| C4 | N1 | C5 | C12 | 179.5° | 179.7° |
| C4 | N1 | C5 | C6 | 119.0° | 125.7° |
| C4 | N1 | C12 | C11 | 116.9° | 125.7° |
| N1 | C4 | C3 | H3 | 66.2° | 60.0° |
| N1 | C4 | C3 | H4 | 51.8° | 60.0° |
| C4 | N1 | C5 | H6 | 1.0° | 5.9° |
| C4 | N1 | C5 | H5 | 121.0° | 114.6° |
| C4 | N1 | C12 | H14 | 3.4° | 114.6° |
| C4 | N1 | C12 | H13 | 122.8° | 5.9° |
| N1 | C5 | C6 | H6 | 120.0° | 119.8° |
| N1 | C5 | C6 | H5 | 120.0° | 119.7° |
| N1 | C5 | C6 | C7 | 54.9° | 53.4° |
| C5 | N1 | C12 | C11 | 62.7° | 54.6° |
| N1 | C5 | H6 | H5 | 120.0° | 120.4° |
| N1 | C5 | C6 | H7 | 65.7° | 66.6° |
| N1 | C5 | C6 | H8 | 175.5° | 173.5° |
| C5 | N1 | C12 | H14 | 177.0° | 65.1° |
| C5 | N1 | C12 | H13 | 57.7° | 174.4° |
| C5 | C6 | C7 | H7 | 120.6° | 120.0° |
| C5 | C6 | C7 | H8 | 120.6° | 120.1° |
| C5 | C6 | C7 | C8 | 174.4° | 177.5° |
| C5 | C6 | C7 | C11 | 49.5° | 59.3° |
| C6 | C5 | N1 | C12 | 60.5° | 54.6° |
| C5 | C6 | C7 | O2 | 69.2° | 64.7° |
| C6 | C5 | H6 | H5 | 120.0° | 120.4° |
| C5 | C6 | H7 | H8 | 118.2° | 120.0° |
| C6 | C7 | C8 | C11 | 125.3° | 123.7° |
| C6 | C7 | C8 | O2 | 113.7° | 118.1° |
| C6 | C7 | C8 | C9 | 100.4° | 141.3° |
| C6 | C7 | O2 | N2 | 107.9° | 142.1° |
| C6 | C7 | C11 | O2 | 115.0° | 124.1° |
| C6 | C7 | C11 | C12 | 48.6° | 59.4° |
| C7 | C6 | C5 | H6 | 174.9° | 173.2° |
| C7 | C6 | C5 | H5 | 65.1° | 66.3° |
| C7 | C6 | H7 | H8 | 118.1° | 120.0° |
| C6 | C7 | C8 | H10 | 140.7° | 100.5° |
| C6 | C7 | C8 | H9 | 18.5° | 23.1° |
| C6 | C7 | C11 | H11 | 71.6° | 60.7° |
| C6 | C7 | C11 | H12 | 168.7° | 179.4° |
| C7 | C8 | C9 | H10 | 118.9° | 118.2° |
| C7 | C8 | C9 | H9 | 118.9° | 118.2° |
| C7 | C8 | C9 | N2 | 10.5° | 14.7° |
| C8 | C7 | O2 | N2 | 10.4° | 24.3° |
| C7 | C8 | C9 | C10 | 170.8° | 165.3° |
| C8 | C7 | C11 | O2 | 120.1° | 112.8° |
| C8 | C7 | C11 | C12 | 173.5° | 177.4° |
| C8 | C7 | C6 | H7 | 53.8° | 62.5° |
| C8 | C7 | C6 | H8 | 65.0° | 57.4° |
| C7 | C8 | H10 | H9 | 123.2° | 123.6° |
| C8 | C7 | C11 | H11 | 53.4° | 62.5° |
| C8 | C7 | C11 | H12 | 66.4° | 57.5° |
| C8 | C9 | N2 | C10 | 178.6° | 180.0° |
| C8 | C9 | N2 | O2 | 4.8° | 0.2° |
| C8 | C9 | C10 | F4 | 77.1° | 180.0° |
| C8 | C9 | C10 | F5 | 38.0° | 60.1° |
| C8 | C9 | C10 | F6 | 168.0° | 59.9° |
| C9 | C8 | C7 | C11 | 134.3° | 95.0° |
| C9 | C8 | C7 | O2 | 13.2° | 23.2° |
| C9 | C8 | H10 | H9 | 123.2° | 123.6° |
| N2 | C9 | C10 | F4 | 104.5° | 0.0° |
| N2 | C9 | C10 | F5 | 140.4° | 120.0° |
| N2 | C9 | C10 | F6 | 10.3° | 120.0° |
| C9 | N2 | O2 | C7 | 4.0° | 16.6° |
| N2 | C9 | C8 | H10 | 108.4° | 132.9° |
| N2 | C9 | C8 | H9 | 129.4° | 103.5° |
| O2 | N2 | C9 | C10 | 176.7° | 179.7° |
| N2 | O2 | C7 | C11 | 132.2° | 93.6° |
| C9 | C10 | F4 | F5 | 122.7° | 119.9° |
| C9 | C10 | F4 | F6 | 122.3° | 120.1° |
| C9 | C10 | F5 | F6 | 130.5° | 120.0° |
| C10 | C9 | C8 | H10 | 70.3° | 47.2° |
| C10 | C9 | C8 | H9 | 51.9° | 76.5° |
| F4 | C10 | F5 | F6 | 104.9° | 120.0° |
| C7 | C11 | C12 | H11 | 120.1° | 120.0° |
| C7 | C11 | C12 | H12 | 120.1° | 120.0° |
| C7 | C11 | C12 | N1 | 55.8° | 53.6° |
| C11 | C7 | C6 | H7 | 71.1° | 60.7° |
| C11 | C7 | C6 | H8 | 170.1° | 179.4° |
| C11 | C7 | C8 | H10 | 15.4° | 23.2° |
| C11 | C7 | C8 | H9 | 106.8° | 146.8° |
| C7 | C11 | H11 | H12 | 119.6° | 120.0° |
| C7 | C11 | C12 | H14 | 176.1° | 66.0° |
| C7 | C11 | C12 | H13 | 64.5° | 173.4° |
| C11 | C12 | N1 | H14 | 120.3° | 119.7° |
| C11 | C12 | N1 | H13 | 120.3° | 119.8° |
| C12 | C11 | C7 | O2 | 66.4° | 64.6° |
| C12 | C11 | H11 | H12 | 119.6° | 120.0° |
| C11 | C12 | H14 | H13 | 119.0° | 120.6° |
| C12 | N1 | C5 | H6 | 179.5° | 174.3° |
| C12 | N1 | C5 | H5 | 59.4° | 65.2° |
| N1 | C12 | C11 | H11 | 64.3° | 66.4° |
| N1 | C12 | C11 | H12 | 175.9° | 173.6° |
| N1 | C12 | H14 | H13 | 119.0° | 120.4° |
| O2 | C7 | C6 | H7 | 170.2° | 175.3° |
| O2 | C7 | C6 | H8 | 51.4° | 55.4° |
| O2 | C7 | C8 | H10 | 105.6° | 141.3° |
| O2 | C7 | C8 | H9 | 132.1° | 95.0° |
| O2 | C7 | C11 | H11 | 173.4° | 175.3° |
| O2 | C7 | C11 | H12 | 53.7° | 55.3° |
| H1 | C2 | C3 | H3 | 173.6° | 180.0° |
| H1 | C2 | C3 | H4 | 68.4° | 60.0° |
| H2 | C2 | C3 | H3 | 55.2° | 60.0° |
| H2 | C2 | C3 | H4 | 173.2° | 180.0° |
| H6 | C5 | C6 | H7 | 54.3° | 53.2° |
| H6 | C5 | C6 | H8 | 64.5° | 66.7° |
| H5 | C5 | C6 | H7 | 174.3° | 173.7° |
| H5 | C5 | C6 | H8 | 55.5° | 53.7° |
| H11 | C11 | C12 | H14 | 56.0° | 173.9° |
| H11 | C11 | C12 | H13 | 175.4° | 53.3° |
| H12 | C11 | C12 | H14 | 63.8° | 53.9° |
| H12 | C11 | C12 | H13 | 55.6° | 66.7° |
