2YF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C | C11 | sing | 1.51Å | 1.49Å | |
| O2 | C11 | doub | 1.21Å | 1.24Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C5 | sing | 1.35Å | 1.35Å | |
| C11 | O1 | sing | 1.34Å | 1.36Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | O | doub | 1.21Å | 1.22Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | N2 | sing | 1.46Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| N2 | C10 | doub | 1.26Å | 1.26Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.50Å | 1.51Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C1 | 111.8° | 109.5° |
| N | C | C11 | 109.7° | 109.5° |
| N | C | H2 | 109.0° | 109.4° |
| C | N | H3 | 109.5° | 111.0° |
| C | N | H4 | 109.5° | 111.0° |
| C1 | C2 | C3 | 109.1° | 109.5° |
| C2 | C1 | C | 114.4° | 109.5° |
| C2 | C1 | H6 | 108.2° | 109.5° |
| C2 | C1 | H7 | 108.2° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.4° |
| C1 | C2 | H9 | 109.5° | 109.5° |
| C2 | C3 | C4 | 112.4° | 109.5° |
| C3 | C2 | H8 | 109.6° | 109.4° |
| C3 | C2 | H9 | 109.6° | 109.5° |
| C2 | C3 | H10 | 108.7° | 109.4° |
| C2 | C3 | H11 | 108.7° | 109.5° |
| C1 | C | C11 | 109.2° | 109.5° |
| C1 | C | H2 | 108.4° | 109.4° |
| C | C1 | H6 | 108.2° | 109.5° |
| C | C1 | H7 | 108.2° | 109.5° |
| C | C11 | O2 | 121.6° | 120.0° |
| C | C11 | O1 | 117.5° | 120.0° |
| C11 | C | H2 | 108.7° | 109.5° |
| O2 | C11 | O1 | 120.8° | 120.0° |
| C3 | C4 | N1 | 113.3° | 109.4° |
| C4 | C3 | H10 | 108.7° | 109.5° |
| C4 | C3 | H11 | 108.7° | 109.5° |
| C3 | C4 | H12 | 108.5° | 109.4° |
| C3 | C4 | H13 | 108.5° | 109.5° |
| C4 | N1 | C5 | 122.4° | 120.0° |
| N1 | C4 | H12 | 108.5° | 109.5° |
| N1 | C4 | H13 | 108.5° | 109.5° |
| C4 | N1 | H14 | 118.8° | 120.0° |
| N1 | C5 | C6 | 116.1° | 120.0° |
| N1 | C5 | O | 123.4° | 120.0° |
| C5 | N1 | H14 | 118.8° | 120.0° |
| C11 | O1 | H1 | 109.5° | 117.0° |
| C6 | C5 | O | 120.3° | 120.0° |
| C5 | C6 | C7 | 104.9° | 109.3° |
| C5 | C6 | N2 | 114.7° | 109.3° |
| C5 | C6 | H15 | 108.5° | 109.3° |
| C7 | C6 | N2 | 111.1° | 110.5° |
| C6 | C7 | C8 | 110.7° | 108.4° |
| C7 | C6 | H15 | 108.2° | 109.2° |
| C6 | C7 | H21 | 109.2° | 109.7° |
| C6 | C7 | H22 | 109.1° | 109.7° |
| C6 | N2 | C10 | 125.2° | 125.2° |
| N2 | C6 | H15 | 109.1° | 109.2° |
| C7 | C8 | C9 | 104.0° | 108.1° |
| C7 | C8 | H19 | 110.8° | 109.7° |
| C7 | C8 | H20 | 110.8° | 109.8° |
| C8 | C7 | H21 | 109.2° | 109.7° |
| C8 | C7 | H22 | 109.2° | 109.7° |
| N2 | C10 | C9 | 121.0° | 124.5° |
| N2 | C10 | H16 | 119.5° | 117.8° |
| C8 | C9 | C10 | 112.0° | 109.9° |
| C8 | C9 | H17 | 108.8° | 109.4° |
| C8 | C9 | H18 | 108.8° | 109.3° |
| C9 | C8 | H19 | 110.8° | 109.7° |
| C9 | C8 | H20 | 110.8° | 109.8° |
| C9 | C10 | H16 | 119.5° | 117.7° |
| C10 | C9 | H17 | 108.8° | 109.4° |
| C10 | C9 | H18 | 108.8° | 109.4° |
| H3 | N | H4 | 109.5° | 111.0° |
| H6 | C1 | H7 | 109.5° | 109.4° |
| H8 | C2 | H9 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.4° |
| H12 | C4 | H13 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.4° | 109.4° |
| H19 | C8 | H20 | 109.5° | 109.8° |
| H21 | C7 | H22 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C1 | C2 | 59.7° | 64.9° |
| N | C | C1 | C11 | 121.6° | 120.0° |
| N | C | C1 | H2 | 120.1° | 119.9° |
| N | C | C11 | H2 | 119.1° | 120.0° |
| N | C | C11 | O2 | 23.8° | 20.0° |
| N | C | C11 | O1 | 155.2° | 159.7° |
| C | N | H3 | H4 | 120.0° | 123.9° |
| N | C | C1 | H6 | 179.5° | 55.1° |
| N | C | C1 | H7 | 61.0° | 175.0° |
| C1 | C2 | C3 | H8 | 119.9° | 119.9° |
| C1 | C2 | C3 | H9 | 119.9° | 120.1° |
| C2 | C1 | C | H6 | 120.7° | 120.0° |
| C2 | C1 | C | H7 | 120.7° | 120.0° |
| C2 | C1 | C | C11 | 178.7° | 175.0° |
| C1 | C2 | C3 | C4 | 171.8° | 180.0° |
| C2 | C1 | C | H2 | 60.4° | 55.0° |
| C2 | C1 | H6 | H7 | 117.7° | 120.0° |
| C1 | C2 | H8 | H9 | 120.1° | 120.1° |
| C1 | C2 | C3 | H10 | 67.8° | 60.0° |
| C1 | C2 | C3 | H11 | 51.3° | 59.9° |
| C3 | C2 | C1 | C | 178.9° | 180.0° |
| C2 | C3 | C4 | H10 | 120.4° | 119.9° |
| C2 | C3 | C4 | H11 | 120.5° | 120.0° |
| C2 | C3 | C4 | N1 | 172.5° | 180.0° |
| C3 | C2 | C1 | H6 | 60.4° | 60.0° |
| C3 | C2 | C1 | H7 | 58.1° | 59.9° |
| C3 | C2 | H8 | H9 | 120.2° | 120.0° |
| C2 | C3 | H10 | H11 | 118.7° | 120.0° |
| C2 | C3 | C4 | H12 | 67.0° | 60.1° |
| C2 | C3 | C4 | H13 | 51.9° | 60.0° |
| C1 | C | C11 | H2 | 118.1° | 120.0° |
| C1 | C | C11 | O2 | 99.0° | 100.0° |
| C1 | C | C11 | O1 | 82.0° | 80.3° |
| C1 | C | N | H3 | 180.0° | 176.0° |
| C1 | C | N | H4 | 60.0° | 60.0° |
| C | C1 | H6 | H7 | 117.7° | 120.0° |
| C | C1 | C2 | H8 | 61.2° | 60.1° |
| C | C1 | C2 | H9 | 58.9° | 60.0° |
| C | C11 | O2 | O1 | 179.0° | 179.7° |
| C | C11 | O1 | H1 | 179.1° | 179.8° |
| C11 | C | N | H3 | 58.7° | 63.9° |
| C11 | C | N | H4 | 61.3° | 60.0° |
| C11 | C | C1 | H6 | 58.0° | 65.0° |
| C11 | C | C1 | H7 | 60.5° | 55.0° |
| O2 | C11 | O1 | H1 | 0.0° | 0.0° |
| O2 | C11 | C | H2 | 142.9° | 140.0° |
| C3 | C4 | N1 | H12 | 120.6° | 119.9° |
| C3 | C4 | N1 | H13 | 120.6° | 120.0° |
| C3 | C4 | N1 | C5 | 95.4° | 180.0° |
| C4 | C3 | C2 | H8 | 51.8° | 60.1° |
| C4 | C3 | C2 | H9 | 68.3° | 59.9° |
| C4 | C3 | H10 | H11 | 118.7° | 120.1° |
| C3 | C4 | H12 | H13 | 118.3° | 120.0° |
| C3 | C4 | N1 | H14 | 84.6° | 0.0° |
| C4 | N1 | C5 | H14 | 180.0° | 180.0° |
| C4 | N1 | C5 | C6 | 172.0° | 180.0° |
| C4 | N1 | C5 | O | 3.1° | 0.0° |
| N1 | C4 | C3 | H10 | 52.1° | 60.0° |
| N1 | C4 | C3 | H11 | 67.1° | 60.0° |
| N1 | C4 | H12 | H13 | 118.2° | 120.1° |
| N1 | C5 | C6 | O | 175.2° | 180.0° |
| N1 | C5 | C6 | C7 | 77.9° | 80.0° |
| N1 | C5 | C6 | N2 | 159.9° | 158.9° |
| C5 | N1 | C4 | H12 | 25.2° | 60.0° |
| C5 | N1 | C4 | H13 | 144.1° | 60.1° |
| N1 | C5 | C6 | H15 | 37.6° | 39.5° |
| O1 | C11 | C | H2 | 36.1° | 39.7° |
| C5 | C6 | C7 | N2 | 124.5° | 120.3° |
| C5 | C6 | C7 | H15 | 115.7° | 119.5° |
| C5 | C6 | N2 | H15 | 122.0° | 119.5° |
| C5 | C6 | C7 | C8 | 170.9° | 169.7° |
| C5 | C6 | N2 | C10 | 133.4° | 138.0° |
| C6 | C5 | N1 | H14 | 8.0° | 0.0° |
| C5 | C6 | C7 | H21 | 68.9° | 70.6° |
| C5 | C6 | C7 | H22 | 50.7° | 50.0° |
| O | C5 | C6 | C7 | 97.3° | 100.0° |
| O | C5 | C6 | N2 | 24.8° | 21.0° |
| O | C5 | N1 | H14 | 176.9° | 180.0° |
| O | C5 | C6 | H15 | 147.2° | 140.5° |
| C7 | C6 | N2 | H15 | 119.3° | 120.2° |
| C6 | C7 | C8 | H21 | 120.2° | 119.7° |
| C6 | C7 | C8 | H22 | 120.2° | 119.7° |
| C7 | C6 | N2 | C10 | 14.6° | 17.7° |
| C6 | C7 | C8 | C9 | 66.0° | 65.7° |
| C6 | C7 | C8 | H19 | 53.1° | 174.7° |
| C6 | C7 | C8 | H20 | 174.8° | 54.0° |
| C6 | C7 | H21 | H22 | 119.4° | 120.5° |
| N2 | C6 | C7 | C8 | 46.4° | 49.4° |
| C6 | N2 | C10 | C9 | 5.3° | 0.7° |
| C6 | N2 | C10 | H16 | 174.7° | 179.4° |
| N2 | C6 | C7 | H21 | 166.6° | 169.1° |
| N2 | C6 | C7 | H22 | 73.7° | 70.3° |
| C7 | C8 | C9 | H19 | 119.1° | 119.6° |
| C7 | C8 | C9 | H20 | 119.1° | 119.7° |
| C7 | C8 | C9 | C10 | 55.2° | 47.7° |
| C8 | C7 | C6 | H15 | 73.4° | 70.8° |
| C7 | C8 | C9 | H17 | 175.6° | 72.5° |
| C7 | C8 | C9 | H18 | 65.2° | 167.8° |
| C7 | C8 | H19 | H20 | 122.6° | 120.7° |
| C8 | C7 | H21 | H22 | 119.4° | 120.5° |
| N2 | C10 | C9 | C8 | 27.0° | 16.4° |
| N2 | C10 | C9 | H16 | 180.0° | 179.9° |
| C10 | N2 | C6 | H15 | 104.6° | 102.5° |
| N2 | C10 | C9 | H17 | 147.4° | 103.7° |
| N2 | C10 | C9 | H18 | 93.4° | 136.4° |
| C8 | C9 | C10 | H17 | 120.4° | 120.1° |
| C8 | C9 | C10 | H18 | 120.4° | 120.0° |
| C8 | C9 | C10 | H16 | 153.0° | 163.7° |
| C8 | C9 | H17 | H18 | 118.8° | 119.7° |
| C9 | C8 | H19 | H20 | 122.5° | 120.7° |
| C9 | C8 | C7 | H21 | 173.8° | 174.5° |
| C9 | C8 | C7 | H22 | 54.1° | 54.0° |
| C10 | C9 | H17 | H18 | 118.8° | 119.9° |
| C10 | C9 | C8 | H19 | 63.9° | 167.3° |
| C10 | C9 | C8 | H20 | 174.3° | 72.0° |
| H2 | C | N | H3 | 60.2° | 56.1° |
| H2 | C | N | H4 | 179.8° | 180.0° |
| H2 | C | C1 | H6 | 60.3° | 175.0° |
| H2 | C | C1 | H7 | 178.8° | 65.0° |
| H6 | C1 | C2 | H8 | 59.5° | 180.0° |
| H6 | C1 | C2 | H9 | 179.7° | 60.0° |
| H7 | C1 | C2 | H8 | 178.1° | 60.0° |
| H7 | C1 | C2 | H9 | 61.8° | 180.0° |
| H8 | C2 | C3 | H10 | 172.3° | 179.9° |
| H8 | C2 | C3 | H11 | 68.6° | 60.0° |
| H9 | C2 | C3 | H10 | 52.1° | 60.1° |
| H9 | C2 | C3 | H11 | 171.3° | NaN° |
| H10 | C3 | C4 | H12 | 172.6° | 180.0° |
| H10 | C3 | C4 | H13 | 68.5° | 60.0° |
| H11 | C3 | C4 | H12 | 53.5° | 60.0° |
| H11 | C3 | C4 | H13 | 172.3° | 180.0° |
| H12 | C4 | N1 | H14 | 154.8° | 119.9° |
| H13 | C4 | N1 | H14 | 36.0° | 120.0° |
| H15 | C6 | C7 | H21 | 46.8° | 48.9° |
| H15 | C6 | C7 | H22 | 166.4° | 169.5° |
| H16 | C10 | C9 | H17 | 32.6° | 76.2° |
| H16 | C10 | C9 | H18 | 86.6° | 43.7° |
| H17 | C9 | C8 | H19 | 56.5° | 47.1° |
| H17 | C9 | C8 | H20 | 65.3° | 167.8° |
| H18 | C9 | C8 | H19 | 175.7° | 72.6° |
| H18 | C9 | C8 | H20 | 53.9° | 48.1° |
| H19 | C8 | C7 | H21 | 67.1° | 54.9° |
| H19 | C8 | C7 | H22 | 173.2° | 65.6° |
| H20 | C8 | C7 | H21 | 54.6° | 65.8° |
| H20 | C8 | C7 | H22 | 65.0° | 173.7° |
