4HF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4A | sing | 1.50Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C4A | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C4A | C8A | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | N3 | sing | 1.35Å | 1.41Å | Aromatic |
| N3 | C2 | sing | 1.36Å | 1.40Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| N1 | C8A | sing | 1.34Å | 1.36Å | Aromatic |
| C8A | N8 | sing | 1.38Å | 1.35Å | |
| N8 | C7 | sing | 1.47Å | 1.50Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C6 | C9 | sing | 1.53Å | 1.55Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C3' | sing | 1.51Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C3' | S2' | sing | 1.73Å | 1.78Å | Aromatic |
| C3' | C4' | doub | 1.36Å | 1.36Å | Aromatic |
| S2' | C1' | sing | 1.78Å | 1.78Å | Aromatic |
| C4' | C5' | sing | 1.37Å | 1.40Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C5' | C1' | doub | 1.39Å | 1.36Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C1' | C11 | sing | 1.47Å | 1.54Å | |
| C11 | O11 | doub | 1.22Å | 1.23Å | |
| C11 | N | sing | 1.35Å | 1.34Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | OX1 | sing | 1.34Å | 1.25Å | |
| C | OX2 | doub | 1.21Å | 1.25Å | |
| OX1 | HX1 | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.51Å | 1.54Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | OE1 | doub | 1.21Å | 1.25Å | |
| CD | OE2 | sing | 1.34Å | 1.25Å | |
| OE2 | HE2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4A | C5 | C6 | 110.8° | 110.3° |
| C4A | C5 | H51 | 108.7° | 109.4° |
| C4A | C5 | H52 | 109.0° | 109.3° |
| C5 | C4A | C4 | 122.2° | 119.4° |
| C5 | C4A | C8A | 120.7° | 121.9° |
| C6 | C5 | H51 | 108.7° | 109.3° |
| C6 | C5 | H52 | 109.0° | 109.3° |
| C5 | C6 | C7 | 108.1° | 108.8° |
| C5 | C6 | C9 | 108.6° | 109.6° |
| C5 | C6 | H6 | 111.4° | 109.6° |
| H51 | C5 | H52 | 110.5° | 109.2° |
| C4 | C4A | C8A | 117.1° | 118.7° |
| C4A | C4 | O4 | 119.9° | 120.6° |
| C4A | C4 | N3 | 120.2° | 118.9° |
| C4A | C8A | N1 | 121.6° | 119.8° |
| C4A | C8A | N8 | 119.4° | 120.9° |
| O4 | C4 | N3 | 119.9° | 120.5° |
| C4 | N3 | C2 | 119.9° | 120.1° |
| C4 | N3 | HN3 | 120.0° | 120.0° |
| C2 | N3 | HN3 | 120.1° | 119.9° |
| N3 | C2 | N2 | 120.2° | 119.3° |
| N3 | C2 | N1 | 119.4° | 121.3° |
| N2 | C2 | N1 | 120.4° | 119.4° |
| C2 | N2 | HN21 | 125.2° | 120.0° |
| C2 | N2 | HN22 | 109.6° | 120.0° |
| C2 | N1 | C8A | 121.7° | 121.2° |
| HN21 | N2 | HN22 | 125.2° | 120.0° |
| N1 | C8A | N8 | 118.9° | 119.3° |
| C8A | N8 | C7 | 124.2° | 119.1° |
| C8A | N8 | HN8 | 104.8° | 120.4° |
| C7 | N8 | HN8 | 104.8° | 120.5° |
| N8 | C7 | C6 | 111.8° | 107.9° |
| N8 | C7 | H71 | 108.2° | 109.8° |
| N8 | C7 | H72 | 108.7° | 109.8° |
| C6 | C7 | H71 | 108.2° | 109.7° |
| C6 | C7 | H72 | 108.7° | 109.7° |
| C7 | C6 | C9 | 110.8° | 109.7° |
| C7 | C6 | H6 | 109.2° | 109.6° |
| H71 | C7 | H72 | 111.3° | 109.8° |
| C9 | C6 | H6 | 108.7° | 109.6° |
| C6 | C9 | C10 | 112.6° | 109.5° |
| C6 | C9 | H91 | 107.7° | 109.5° |
| C6 | C9 | H92 | 108.4° | 109.5° |
| C10 | C9 | H91 | 107.8° | 109.4° |
| C10 | C9 | H92 | 108.5° | 109.5° |
| C9 | C10 | C3' | 110.8° | 109.5° |
| C9 | C10 | H101 | 108.7° | 109.4° |
| C9 | C10 | H102 | 109.0° | 109.5° |
| H91 | C9 | H92 | 111.9° | 109.4° |
| C3' | C10 | H101 | 108.8° | 109.4° |
| C3' | C10 | H102 | 109.1° | 109.5° |
| C10 | C3' | S2' | 123.2° | 128.4° |
| C10 | C3' | C4' | 129.0° | 128.4° |
| H101 | C10 | H102 | 110.5° | 109.4° |
| S2' | C3' | C4' | 107.8° | 103.2° |
| C3' | S2' | C1' | 92.4° | 98.6° |
| C3' | C4' | C5' | 116.0° | 119.2° |
| C3' | C4' | H4' | 122.0° | 120.4° |
| S2' | C1' | C5' | 108.7° | 101.8° |
| S2' | C1' | C11 | 126.1° | 129.1° |
| C5' | C4' | H4' | 122.0° | 120.4° |
| C4' | C5' | C1' | 115.2° | 117.1° |
| C4' | C5' | H5' | 122.4° | 121.5° |
| C1' | C5' | H5' | 122.4° | 121.4° |
| C5' | C1' | C11 | 125.2° | 129.1° |
| C1' | C11 | O11 | 120.6° | 120.0° |
| C1' | C11 | N | 115.6° | 120.0° |
| O11 | C11 | N | 123.8° | 120.0° |
| C11 | N | CA | 122.0° | 120.0° |
| C11 | N | HN | 119.0° | 120.0° |
| CA | N | HN | 119.0° | 120.0° |
| N | CA | C | 109.9° | 109.5° |
| N | CA | CB | 110.8° | 109.4° |
| N | CA | HA | 108.4° | 109.5° |
| C | CA | CB | 109.6° | 109.5° |
| C | CA | HA | 109.6° | 109.5° |
| CA | C | OX1 | 116.7° | 120.0° |
| CA | C | OX2 | 117.2° | 120.0° |
| CB | CA | HA | 108.6° | 109.5° |
| CA | CB | CG | 111.8° | 109.5° |
| CA | CB | HB1 | 108.2° | 109.5° |
| CA | CB | HB2 | 108.7° | 109.4° |
| OX1 | C | OX2 | 126.1° | 120.0° |
| C | OX1 | HX1 | 109.5° | 120.0° |
| CG | CB | HB1 | 108.2° | 109.5° |
| CG | CB | HB2 | 108.7° | 109.5° |
| CB | CG | CD | 110.7° | 109.5° |
| CB | CG | HG1 | 108.8° | 109.5° |
| CB | CG | HG2 | 109.0° | 109.5° |
| HB1 | CB | HB2 | 111.3° | 109.5° |
| CD | CG | HG1 | 108.8° | 109.5° |
| CD | CG | HG2 | 109.1° | 109.4° |
| CG | CD | OE1 | 117.2° | 120.0° |
| CG | CD | OE2 | 116.9° | 120.0° |
| HG1 | CG | HG2 | 110.5° | 109.5° |
| OE1 | CD | OE2 | 125.8° | 120.0° |
| CD | OE2 | HE2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4A | C5 | C6 | H51 | 119.4° | 120.3° |
| C4A | C5 | C6 | H52 | 120.0° | 120.3° |
| C4A | C5 | H51 | H52 | 119.6° | 119.6° |
| C5 | C4A | C4 | C8A | 180.0° | 179.9° |
| C5 | C4A | C4 | O4 | 0.8° | 0.2° |
| C5 | C4A | C4 | N3 | 179.7° | 179.9° |
| C5 | C4A | C8A | N1 | 179.5° | 179.7° |
| C5 | C4A | C8A | N8 | 3.0° | 0.6° |
| C4A | C5 | C6 | C7 | 53.7° | 50.4° |
| C4A | C5 | C6 | C9 | 66.6° | 170.4° |
| C4A | C5 | C6 | H6 | 173.7° | 69.3° |
| C6 | C5 | H51 | H52 | 119.7° | 119.5° |
| C6 | C5 | C4A | C4 | 148.5° | 159.9° |
| C6 | C5 | C4A | C8A | 31.5° | 20.1° |
| C5 | C6 | C7 | N8 | 51.3° | 62.8° |
| C5 | C6 | C7 | C9 | 118.9° | 119.9° |
| C5 | C6 | C7 | H6 | 121.4° | 119.7° |
| C5 | C6 | C7 | H71 | 67.7° | 177.6° |
| C5 | C6 | C7 | H72 | 171.3° | 56.9° |
| C5 | C6 | C9 | H6 | 121.4° | 120.2° |
| C5 | C6 | C9 | C10 | 173.7° | 174.9° |
| C5 | C6 | C9 | H91 | 67.6° | 55.0° |
| C5 | C6 | C9 | H92 | 53.7° | 65.0° |
| H51 | C5 | C4A | C4 | 29.1° | 39.6° |
| H51 | C5 | C4A | C8A | 150.9° | 140.5° |
| H51 | C5 | C6 | C7 | 173.2° | 170.7° |
| H51 | C5 | C6 | C9 | 52.9° | 69.3° |
| H51 | C5 | C6 | H6 | 66.8° | 51.0° |
| H52 | C5 | C4A | C4 | 91.5° | 79.9° |
| H52 | C5 | C4A | C8A | 88.6° | 100.1° |
| H52 | C5 | C6 | C7 | 66.3° | 69.8° |
| H52 | C5 | C6 | C9 | 173.4° | 50.1° |
| H52 | C5 | C6 | H6 | 53.7° | 170.4° |
| C4A | C4 | O4 | N3 | 179.6° | 179.7° |
| C4A | C4 | N3 | C2 | 0.1° | 0.6° |
| C4A | C4 | N3 | HN3 | 179.9° | 179.9° |
| C4 | C4A | C8A | N1 | 0.6° | 0.2° |
| C4 | C4A | C8A | N8 | 176.9° | 179.5° |
| C8A | C4A | C4 | O4 | 179.2° | 179.9° |
| C8A | C4A | C4 | N3 | 0.4° | 0.2° |
| C4A | C8A | N1 | C2 | 0.5° | 0.2° |
| C4A | C8A | N1 | N8 | 177.5° | 179.7° |
| C4A | C8A | N8 | C7 | 0.1° | 14.1° |
| C4A | C8A | N8 | HN8 | 119.9° | 166.0° |
| O4 | C4 | N3 | C2 | 179.5° | 179.7° |
| O4 | C4 | N3 | HN3 | 0.5° | 0.2° |
| C4 | N3 | C2 | HN3 | 180.0° | 179.5° |
| C4 | N3 | C2 | N2 | 179.2° | 179.5° |
| C4 | N3 | C2 | N1 | 0.0° | 0.7° |
| N3 | C2 | N2 | N1 | 179.2° | 179.8° |
| N3 | C2 | N2 | HN21 | 0.0° | 179.7° |
| N3 | C2 | N2 | HN22 | 180.0° | 0.5° |
| N3 | C2 | N1 | C8A | 0.1° | 0.2° |
| HN3 | N3 | C2 | N2 | 0.8° | 0.1° |
| HN3 | N3 | C2 | N1 | 180.0° | 179.9° |
| C2 | N2 | HN21 | HN22 | 180.0° | 179.8° |
| N2 | C2 | N1 | C8A | 179.4° | 180.0° |
| N1 | C2 | N2 | HN21 | 179.2° | 0.1° |
| N1 | C2 | N2 | HN22 | 0.7° | 179.7° |
| C2 | N1 | C8A | N8 | 177.0° | 179.5° |
| N1 | C8A | N8 | C7 | 177.6° | 166.2° |
| N1 | C8A | N8 | HN8 | 57.7° | 13.7° |
| C8A | N8 | C7 | HN8 | 120.0° | 179.9° |
| C8A | N8 | C7 | C6 | 25.6° | 45.1° |
| C8A | N8 | C7 | H71 | 93.4° | 164.7° |
| C8A | N8 | C7 | H72 | 145.6° | 74.5° |
| N8 | C7 | C6 | H71 | 119.0° | 119.6° |
| N8 | C7 | C6 | H72 | 120.0° | 119.6° |
| N8 | C7 | H71 | H72 | 119.3° | 120.8° |
| N8 | C7 | C6 | C9 | 67.5° | 177.4° |
| N8 | C7 | C6 | H6 | 172.7° | 57.0° |
| HN8 | N8 | C7 | C6 | 94.4° | 135.0° |
| HN8 | N8 | C7 | H71 | 146.6° | 15.4° |
| HN8 | N8 | C7 | H72 | 25.6° | 105.5° |
| C6 | C7 | H71 | H72 | 119.4° | 120.7° |
| C7 | C6 | C9 | H6 | 120.0° | 120.4° |
| C7 | C6 | C9 | C10 | 67.7° | 65.7° |
| C7 | C6 | C9 | H91 | 51.0° | 174.3° |
| C7 | C6 | C9 | H92 | 172.3° | 54.4° |
| H71 | C7 | C6 | C9 | 173.5° | 57.8° |
| H71 | C7 | C6 | H6 | 53.7° | 62.6° |
| H72 | C7 | C6 | C9 | 52.4° | 63.0° |
| H72 | C7 | C6 | H6 | 67.3° | 176.6° |
| C6 | C9 | C10 | H91 | 118.6° | 120.0° |
| C6 | C9 | C10 | H92 | 120.0° | 120.0° |
| C6 | C9 | H91 | H92 | 119.1° | 120.0° |
| C6 | C9 | C10 | C3' | 177.0° | 180.0° |
| C6 | C9 | C10 | H101 | 57.5° | 60.0° |
| C6 | C9 | C10 | H102 | 63.0° | 60.0° |
| H6 | C6 | C9 | C10 | 52.4° | 54.7° |
| H6 | C6 | C9 | H91 | 171.1° | 65.3° |
| H6 | C6 | C9 | H92 | 67.6° | 174.8° |
| C10 | C9 | H91 | H92 | 119.2° | 120.0° |
| C9 | C10 | C3' | H101 | 119.4° | 120.0° |
| C9 | C10 | C3' | H102 | 120.0° | 120.1° |
| C9 | C10 | H101 | H102 | 119.6° | 120.0° |
| C9 | C10 | C3' | S2' | 51.4° | 90.0° |
| C9 | C10 | C3' | C4' | 129.7° | 89.7° |
| H91 | C9 | C10 | C3' | 64.3° | 60.1° |
| H91 | C9 | C10 | H101 | 176.2° | NaN° |
| H91 | C9 | C10 | H102 | 55.7° | 60.0° |
| H92 | C9 | C10 | C3' | 57.0° | 59.9° |
| H92 | C9 | C10 | H101 | 62.5° | 60.0° |
| H92 | C9 | C10 | H102 | 177.0° | 180.0° |
| C3' | C10 | H101 | H102 | 119.7° | 120.0° |
| C10 | C3' | S2' | C4' | 179.1° | 179.7° |
| C10 | C3' | S2' | C1' | 178.9° | 179.9° |
| C10 | C3' | C4' | C5' | 178.9° | 179.8° |
| C10 | C3' | C4' | H4' | 1.1° | 0.3° |
| H101 | C10 | C3' | S2' | 68.0° | 150.0° |
| H101 | C10 | C3' | C4' | 110.9° | 30.3° |
| H102 | C10 | C3' | S2' | 171.4° | 30.1° |
| H102 | C10 | C3' | C4' | 9.7° | 150.3° |
| S2' | C3' | C4' | C5' | 0.1° | 0.5° |
| S2' | C3' | C4' | H4' | 179.9° | 179.9° |
| C3' | S2' | C1' | C5' | 0.1° | 0.1° |
| C3' | S2' | C1' | C11 | 180.0° | 180.0° |
| C4' | C3' | S2' | C1' | 0.1° | 0.2° |
| C3' | C4' | C5' | H4' | 180.0° | 179.5° |
| C3' | C4' | C5' | C1' | 0.0° | 0.6° |
| C3' | C4' | C5' | H5' | 180.0° | 179.8° |
| S2' | C1' | C5' | C4' | 0.1° | 0.4° |
| S2' | C1' | C5' | C11 | 179.8° | 179.9° |
| S2' | C1' | C5' | H5' | 179.9° | 180.0° |
| S2' | C1' | C11 | O11 | 177.1° | 179.9° |
| S2' | C1' | C11 | N | 3.0° | 0.1° |
| C4' | C5' | C1' | H5' | 180.0° | 179.6° |
| C4' | C5' | C1' | C11 | 179.9° | 179.8° |
| H4' | C4' | C5' | C1' | 180.0° | 179.9° |
| H4' | C4' | C5' | H5' | 0.0° | 0.3° |
| C5' | C1' | C11 | O11 | 2.7° | 0.1° |
| C5' | C1' | C11 | N | 177.2° | 179.9° |
| H5' | C5' | C1' | C11 | 0.1° | 0.2° |
| C1' | C11 | O11 | N | 179.9° | 180.0° |
| C1' | C11 | N | CA | 179.6° | 180.0° |
| C1' | C11 | N | HN | 0.3° | 0.1° |
| O11 | C11 | N | CA | 0.4° | 0.1° |
| O11 | C11 | N | HN | 179.6° | 180.0° |
| C11 | N | CA | HN | 180.0° | 179.9° |
| C11 | N | CA | C | 99.7° | 85.0° |
| C11 | N | CA | CB | 139.0° | 155.0° |
| C11 | N | CA | HA | 20.0° | 35.1° |
| N | CA | C | CB | 122.0° | 119.9° |
| N | CA | C | HA | 118.9° | 120.0° |
| N | CA | CB | HA | 118.9° | 119.9° |
| N | CA | C | OX1 | 109.4° | 180.0° |
| N | CA | C | OX2 | 70.4° | 0.0° |
| N | CA | CB | CG | 67.5° | 65.0° |
| N | CA | CB | HB1 | 173.5° | 55.1° |
| N | CA | CB | HB2 | 52.5° | 175.0° |
| HN | N | CA | C | 80.3° | 94.9° |
| HN | N | CA | CB | 41.0° | 25.1° |
| HN | N | CA | HA | 160.1° | 145.0° |
| C | CA | CB | HA | 119.7° | 120.1° |
| CA | C | OX1 | OX2 | 179.8° | 180.0° |
| CA | C | OX1 | HX1 | 179.8° | 180.0° |
| C | CA | CB | CG | 171.1° | 175.0° |
| C | CA | CB | HB1 | 52.1° | 64.9° |
| C | CA | CB | HB2 | 68.9° | 55.0° |
| CB | CA | C | OX1 | 128.6° | 60.1° |
| CB | CA | C | OX2 | 51.5° | 120.0° |
| CA | CB | CG | HB1 | 119.0° | 120.1° |
| CA | CB | CG | HB2 | 120.0° | 119.9° |
| CA | CB | HB1 | HB2 | 119.4° | 119.9° |
| CA | CB | CG | CD | 178.3° | 180.0° |
| CA | CB | CG | HG1 | 62.2° | 60.0° |
| CA | CB | CG | HG2 | 58.3° | 60.1° |
| HA | CA | C | OX1 | 9.6° | 60.0° |
| HA | CA | C | OX2 | 170.6° | 120.0° |
| HA | CA | CB | CG | 51.4° | 54.9° |
| HA | CA | CB | HB1 | 67.6° | 175.0° |
| HA | CA | CB | HB2 | 171.4° | 65.0° |
| OX2 | C | OX1 | HX1 | 0.0° | 0.1° |
| CG | CB | HB1 | HB2 | 119.4° | 120.0° |
| CB | CG | CD | HG1 | 119.5° | 120.0° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | HG1 | HG2 | 119.6° | 120.0° |
| CB | CG | CD | OE1 | 100.8° | 0.0° |
| CB | CG | CD | OE2 | 79.2° | 180.0° |
| HB1 | CB | CG | CD | 59.3° | 60.0° |
| HB1 | CB | CG | HG1 | 178.8° | 179.9° |
| HB1 | CB | CG | HG2 | 60.7° | 60.0° |
| HB2 | CB | CG | CD | 61.7° | 60.0° |
| HB2 | CB | CG | HG1 | 57.8° | 59.9° |
| HB2 | CB | CG | HG2 | 178.3° | 180.0° |
| CD | CG | HG1 | HG2 | 119.7° | 120.0° |
| CG | CD | OE1 | OE2 | 179.9° | 180.0° |
| CG | CD | OE2 | HE2 | 179.9° | 180.0° |
| HG1 | CG | CD | OE1 | 139.7° | 120.0° |
| HG1 | CG | CD | OE2 | 40.3° | 60.0° |
| HG2 | CG | CD | OE1 | 19.2° | 120.0° |
| HG2 | CG | CD | OE2 | 160.9° | 60.0° |
| OE1 | CD | OE2 | HE2 | 0.0° | 0.0° |
