YTF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OE1 | CD | doub | 1.21Å | 1.23Å | |
| CD | NE2 | sing | 1.35Å | 1.33Å | |
| CD | CG | sing | 1.51Å | 1.52Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.44Å | |
| CA | C | sing | 1.53Å | 1.56Å | |
| C | CX6 | sing | 1.53Å | 1.53Å | |
| CX6 | CX7 | sing | 1.51Å | 1.51Å | |
| OX8 | CX7 | doub | 1.21Å | 1.23Å | |
| CX7 | OX9 | sing | 1.34Å | 1.25Å | |
| OX9 | CJ1 | sing | 1.45Å | 1.54Å | |
| CJ1 | CJ2 | sing | 1.53Å | 1.52Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| NE2 | HE22 | sing | 0.97Å | 1.00Å | |
| NE2 | HE21 | sing | 0.97Å | 1.00Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| CX6 | H31 | sing | 1.09Å | 1.10Å | |
| CX6 | H3 | sing | 1.09Å | 1.10Å | |
| CJ1 | H4 | sing | 1.09Å | 1.10Å | |
| CJ1 | H5 | sing | 1.09Å | 1.10Å | |
| CJ2 | H7 | sing | 1.09Å | 1.10Å | |
| CJ2 | H8 | sing | 1.09Å | 1.10Å | |
| CJ2 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OE1 | CD | NE2 | 122.3° | 120.0° |
| OE1 | CD | CG | 121.0° | 120.0° |
| NE2 | CD | CG | 116.7° | 120.0° |
| CD | NE2 | HE22 | 120.0° | 120.0° |
| CD | NE2 | HE21 | 120.0° | 120.0° |
| CD | CG | CB | 113.8° | 109.4° |
| CD | CG | HG2 | 108.4° | 109.4° |
| CD | CG | HG3 | 108.4° | 109.5° |
| CG | CB | CA | 112.5° | 109.4° |
| CG | CB | HB2 | 108.7° | 109.5° |
| CG | CB | HB3 | 108.7° | 109.5° |
| CB | CG | HG2 | 108.4° | 109.5° |
| CB | CG | HG3 | 108.4° | 109.5° |
| CB | CA | N | 110.4° | 109.5° |
| CB | CA | C | 113.4° | 109.4° |
| CB | CA | HA | 105.9° | 109.5° |
| CA | CB | HB2 | 108.7° | 109.4° |
| CA | CB | HB3 | 108.7° | 109.5° |
| N | CA | C | 113.9° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA | 106.9° | 109.5° |
| CA | C | CX6 | 106.4° | 109.4° |
| C | CA | HA | 105.7° | 109.5° |
| CA | C | H11 | 110.3° | 109.5° |
| CA | C | H1 | 110.2° | 109.5° |
| C | CX6 | CX7 | 114.0° | 109.4° |
| CX6 | C | H11 | 110.2° | 109.4° |
| CX6 | C | H1 | 110.3° | 109.5° |
| C | CX6 | H31 | 108.3° | 109.5° |
| C | CX6 | H3 | 108.3° | 109.5° |
| CX6 | CX7 | OX8 | 120.2° | 120.0° |
| CX6 | CX7 | OX9 | 117.0° | 120.0° |
| CX7 | CX6 | H31 | 108.3° | 109.4° |
| CX7 | CX6 | H3 | 108.3° | 109.5° |
| OX8 | CX7 | OX9 | 122.8° | 120.1° |
| CX7 | OX9 | CJ1 | 124.2° | 116.9° |
| OX9 | CJ1 | CJ2 | 120.6° | 109.4° |
| OX9 | CJ1 | H4 | 106.6° | 109.4° |
| OX9 | CJ1 | H5 | 106.7° | 109.5° |
| CJ2 | CJ1 | H4 | 106.6° | 109.5° |
| CJ2 | CJ1 | H5 | 106.6° | 109.5° |
| CJ1 | CJ2 | H7 | 109.5° | 109.5° |
| CJ1 | CJ2 | H8 | 109.5° | 109.5° |
| CJ1 | CJ2 | H6 | 109.5° | 109.5° |
| H2 | N | H | 109.5° | 110.9° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| HE22 | NE2 | HE21 | 120.0° | 119.9° |
| H11 | C | H1 | 109.4° | 109.5° |
| H31 | CX6 | H3 | 109.5° | 109.5° |
| H4 | CJ1 | H5 | 109.5° | 109.5° |
| H7 | CJ2 | H8 | 109.5° | 109.5° |
| H7 | CJ2 | H6 | 109.4° | 109.5° |
| H8 | CJ2 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE1 | CD | NE2 | CG | 179.1° | 180.0° |
| OE1 | CD | CG | CB | 21.3° | 0.0° |
| OE1 | CD | CG | HG2 | 99.3° | 120.0° |
| OE1 | CD | CG | HG3 | 142.0° | 119.9° |
| OE1 | CD | NE2 | HE22 | 0.0° | 179.9° |
| OE1 | CD | NE2 | HE21 | 180.0° | 0.0° |
| NE2 | CD | CG | CB | 159.6° | 180.0° |
| NE2 | CD | CG | HG2 | 79.8° | 60.0° |
| NE2 | CD | CG | HG3 | 38.9° | 60.0° |
| CD | NE2 | HE22 | HE21 | 180.0° | 179.9° |
| CD | CG | CB | HG2 | 120.7° | 120.0° |
| CD | CG | CB | HG3 | 120.6° | 120.0° |
| CD | CG | CB | CA | 178.1° | 180.0° |
| CD | CG | CB | HB2 | 61.5° | 60.0° |
| CD | CG | CB | HB3 | 57.6° | 60.0° |
| CD | CG | HG2 | HG3 | 118.0° | 120.0° |
| CG | CD | NE2 | HE22 | 179.1° | 0.1° |
| CG | CD | NE2 | HE21 | 0.9° | 180.0° |
| CG | CB | CA | HB2 | 120.4° | 120.0° |
| CG | CB | CA | HB3 | 120.5° | 120.0° |
| CG | CB | CA | N | 72.3° | 65.0° |
| CG | CB | CA | C | 158.5° | 175.0° |
| CG | CB | CA | HA | 43.1° | 55.0° |
| CG | CB | HB2 | HB3 | 118.6° | 120.0° |
| CB | CG | HG2 | HG3 | 118.0° | 120.0° |
| CB | CA | N | C | 128.9° | 119.9° |
| CB | CA | N | HA | 114.8° | 120.1° |
| CB | CA | C | HA | 115.6° | 120.0° |
| CB | CA | C | CX6 | 135.7° | 175.0° |
| CB | CA | N | H2 | 180.0° | 176.1° |
| CB | CA | N | H | 60.0° | 60.0° |
| CA | CB | HB2 | HB3 | 118.6° | 120.0° |
| CA | CB | CG | HG2 | 57.4° | 60.0° |
| CA | CB | CG | HG3 | 61.3° | 60.1° |
| CB | CA | C | H11 | 16.2° | 55.0° |
| CB | CA | C | H1 | 104.8° | 65.0° |
| N | CA | C | HA | 117.0° | 120.0° |
| N | CA | C | CX6 | 96.9° | 65.0° |
| CA | N | H2 | H | 120.0° | 124.0° |
| N | CA | CB | HB2 | 167.3° | 55.0° |
| N | CA | CB | HB3 | 48.2° | 175.0° |
| N | CA | C | H11 | 143.6° | 175.0° |
| N | CA | C | H1 | 22.6° | 55.0° |
| CA | C | CX6 | H11 | 119.5° | 120.0° |
| CA | C | CX6 | H1 | 119.5° | 120.0° |
| CA | C | CX6 | CX7 | 166.6° | 180.0° |
| C | CA | N | H2 | 51.1° | 64.0° |
| C | CA | N | H | 69.0° | 60.0° |
| C | CA | CB | HB2 | 38.1° | 65.0° |
| C | CA | CB | HB3 | 81.0° | 55.0° |
| CA | C | H11 | H1 | 121.4° | 120.0° |
| CA | C | CX6 | H31 | 72.7° | 60.1° |
| CA | C | CX6 | H3 | 45.9° | 60.0° |
| C | CX6 | CX7 | H31 | 120.7° | 120.0° |
| C | CX6 | CX7 | H3 | 120.7° | 120.0° |
| C | CX6 | CX7 | OX8 | 0.4° | 0.1° |
| C | CX6 | CX7 | OX9 | 179.4° | 180.0° |
| CX6 | C | CA | HA | 20.1° | 55.0° |
| CX6 | C | H11 | H1 | 121.4° | 120.0° |
| C | CX6 | H31 | H3 | 117.9° | 120.1° |
| CX6 | CX7 | OX8 | OX9 | 179.8° | 179.9° |
| CX6 | CX7 | OX9 | CJ1 | 179.4° | 180.0° |
| CX7 | CX6 | C | H11 | 47.1° | 60.0° |
| CX7 | CX6 | C | H1 | 73.9° | 60.0° |
| CX7 | CX6 | H31 | H3 | 117.9° | 120.0° |
| OX8 | CX7 | OX9 | CJ1 | 0.4° | 0.1° |
| OX8 | CX7 | CX6 | H31 | 120.3° | 120.1° |
| OX8 | CX7 | CX6 | H3 | 121.0° | 119.9° |
| CX7 | OX9 | CJ1 | CJ2 | 179.2° | 180.0° |
| OX9 | CX7 | CX6 | H31 | 59.9° | 60.0° |
| OX9 | CX7 | CX6 | H3 | 58.8° | 60.0° |
| CX7 | OX9 | CJ1 | H4 | 57.7° | 60.0° |
| CX7 | OX9 | CJ1 | H5 | 59.2° | 60.0° |
| OX9 | CJ1 | CJ2 | H4 | 121.6° | 120.0° |
| OX9 | CJ1 | CJ2 | H5 | 121.6° | 120.0° |
| OX9 | CJ1 | H4 | H5 | 115.0° | 120.0° |
| OX9 | CJ1 | CJ2 | H7 | 180.0° | 60.0° |
| OX9 | CJ1 | CJ2 | H8 | 60.0° | 180.0° |
| OX9 | CJ1 | CJ2 | H6 | 60.0° | 60.0° |
| CJ2 | CJ1 | H4 | H5 | 115.0° | 120.0° |
| CJ1 | CJ2 | H7 | H8 | 120.0° | 120.0° |
| CJ1 | CJ2 | H7 | H6 | 120.0° | 120.0° |
| CJ1 | CJ2 | H8 | H6 | 120.0° | 120.0° |
| H2 | N | CA | HA | 65.3° | 56.0° |
| H | N | CA | HA | 174.7° | 180.0° |
| HA | CA | CB | HB2 | 77.3° | 175.0° |
| HA | CA | CB | HB3 | 163.6° | 64.9° |
| HA | CA | C | H11 | 99.4° | 65.0° |
| HA | CA | C | H1 | 139.7° | 175.0° |
| HB2 | CB | CG | HG2 | 177.9° | 180.0° |
| HB2 | CB | CG | HG3 | 59.1° | 59.9° |
| HB3 | CB | CG | HG2 | 63.1° | 59.9° |
| HB3 | CB | CG | HG3 | 178.2° | 180.0° |
| H11 | C | CX6 | H31 | 167.8° | 180.0° |
| H11 | C | CX6 | H3 | 73.6° | 60.0° |
| H1 | C | CX6 | H31 | 46.8° | 59.9° |
| H1 | C | CX6 | H3 | 165.5° | 180.0° |
| H4 | CJ1 | CJ2 | H7 | 58.4° | 60.0° |
| H4 | CJ1 | CJ2 | H8 | 178.4° | 60.0° |
| H4 | CJ1 | CJ2 | H6 | 61.6° | 180.0° |
| H5 | CJ1 | CJ2 | H7 | 58.5° | 180.0° |
| H5 | CJ1 | CJ2 | H8 | 61.6° | 60.0° |
| H5 | CJ1 | CJ2 | H6 | 178.5° | 60.0° |
| H7 | CJ2 | H8 | H6 | 120.0° | 120.0° |
