K2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SP1 | P | doub | 1.86Å | 1.90Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| N6 | C6 | sing | 1.38Å | 1.34Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.38Å | Aromatic |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.46Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C1' | C2' | sing | 1.55Å | 1.54Å | |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| O2' | CA' | sing | 1.43Å | 1.43Å | |
| CA' | CB' | sing | 1.53Å | 1.49Å | |
| CB' | OC' | sing | 1.43Å | 1.42Å | |
| CD' | OC' | sing | 1.43Å | 1.42Å | |
| C2 | H1' | sing | 1.08Å | 1.08Å | |
| C1' | H1 | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| CA' | H9 | sing | 1.09Å | 1.10Å | |
| CA' | H10 | sing | 1.09Å | 1.10Å | |
| CB' | H11 | sing | 1.09Å | 1.10Å | |
| CB' | H12 | sing | 1.09Å | 1.10Å | |
| CD' | H13 | sing | 1.09Å | 1.10Å | |
| CD' | H14 | sing | 1.09Å | 1.10Å | |
| CD' | H15 | sing | 1.09Å | 1.10Å | |
| N6 | H61 | sing | 0.97Å | 1.00Å | |
| N6 | H62 | sing | 0.97Å | 1.00Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SP1 | P | OP2 | 119.1° | 109.4° |
| SP1 | P | O5' | 104.6° | 109.5° |
| SP1 | P | OP3 | 110.6° | 109.5° |
| OP2 | P | O5' | 107.8° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 113.9° |
| OP2 | P | OP3 | 110.1° | 109.4° |
| P | O5' | C5' | 120.8° | 123.0° |
| O5' | P | OP3 | 103.3° | 109.5° |
| N6 | C6 | C5 | 123.7° | 120.8° |
| N6 | C6 | N1 | 118.6° | 120.7° |
| C6 | N6 | H61 | 109.5° | 120.0° |
| C6 | N6 | H62 | 109.5° | 120.0° |
| C8 | N7 | C5 | 103.9° | 109.4° |
| N7 | C8 | N9 | 113.8° | 110.0° |
| N7 | C8 | H8 | 123.1° | 125.0° |
| N7 | C5 | C6 | 132.3° | 134.7° |
| N7 | C5 | C4 | 110.7° | 107.2° |
| O5' | C5' | C4' | 111.4° | 109.5° |
| O5' | C5' | H5' | 109.0° | 109.5° |
| O5' | C5' | H5'' | 109.0° | 109.5° |
| C8 | N9 | C4 | 105.7° | 107.5° |
| C8 | N9 | C1' | 128.2° | 126.3° |
| N9 | C8 | H8 | 123.1° | 125.0° |
| C5 | C6 | N1 | 117.7° | 118.5° |
| C6 | C5 | C4 | 117.0° | 118.2° |
| C6 | N1 | C2 | 118.5° | 121.1° |
| C5 | C4 | N9 | 105.9° | 106.0° |
| C5 | C4 | N3 | 126.8° | 119.1° |
| C5' | C4' | O4' | 111.1° | 110.0° |
| C5' | C4' | C3' | 116.6° | 109.9° |
| C5' | C4' | H4' | 108.1° | 109.9° |
| C4' | C5' | H5' | 109.0° | 109.5° |
| C4' | C5' | H5'' | 109.0° | 109.5° |
| C4 | N9 | C1' | 126.1° | 126.2° |
| N9 | C4 | N3 | 127.3° | 135.0° |
| N9 | C1' | O4' | 108.7° | 110.8° |
| N9 | C1' | C2' | 114.1° | 110.6° |
| N9 | C1' | H1 | 109.2° | 110.5° |
| N1 | C2 | N3 | 129.4° | 122.5° |
| N1 | C2 | H1' | 115.3° | 118.7° |
| C4 | N3 | C2 | 110.6° | 120.6° |
| C4' | O4' | C1' | 109.0° | 107.0° |
| O4' | C4' | C3' | 103.8° | 107.3° |
| O4' | C4' | H4' | 109.0° | 109.9° |
| O4' | C1' | C2' | 106.8° | 103.5° |
| O4' | C1' | H1 | 109.7° | 110.6° |
| C4' | C3' | O3' | 112.1° | 110.5° |
| C4' | C3' | C2' | 101.2° | 104.2° |
| C4' | C3' | H3' | 109.7° | 110.6° |
| C3' | C4' | H4' | 108.0° | 109.9° |
| O3' | C3' | C2' | 112.7° | 110.5° |
| O3' | C3' | H3' | 111.0° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C2' | C1' | 101.5° | 102.1° |
| C3' | C2' | O2' | 108.4° | 110.9° |
| C3' | C2' | H2' | 112.1° | 110.9° |
| C2' | C3' | H3' | 109.8° | 110.5° |
| C1' | C2' | O2' | 108.9° | 111.0° |
| C2' | C1' | H1 | 108.2° | 110.6° |
| C1' | C2' | H2' | 111.8° | 110.9° |
| N3 | C2 | H1' | 115.3° | 118.8° |
| C2' | O2' | CA' | 114.8° | 114.0° |
| O2' | C2' | H2' | 113.6° | 110.8° |
| O2' | CA' | CB' | 109.6° | 109.5° |
| O2' | CA' | H9 | 109.5° | 109.4° |
| O2' | CA' | H10 | 109.5° | 109.5° |
| CA' | CB' | OC' | 110.2° | 109.4° |
| CB' | CA' | H9 | 109.4° | 109.4° |
| CB' | CA' | H10 | 109.4° | 109.5° |
| CA' | CB' | H11 | 109.3° | 109.5° |
| CA' | CB' | H12 | 109.3° | 109.4° |
| CB' | OC' | CD' | 112.6° | 114.0° |
| OC' | CB' | H11 | 109.3° | 109.5° |
| OC' | CB' | H12 | 109.3° | 109.4° |
| OC' | CD' | H13 | 109.5° | 109.5° |
| OC' | CD' | H14 | 109.5° | 109.5° |
| OC' | CD' | H15 | 109.5° | 109.5° |
| H5' | C5' | H5'' | 109.5° | 109.4° |
| H9 | CA' | H10 | 109.5° | 109.5° |
| H11 | CB' | H12 | 109.5° | 109.5° |
| H13 | CD' | H14 | 109.5° | 109.5° |
| H13 | CD' | H15 | 109.4° | 109.4° |
| H14 | CD' | H15 | 109.5° | 109.5° |
| H61 | N6 | H62 | 109.5° | 120.0° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SP1 | P | OP2 | O5' | 118.8° | 120.0° |
| SP1 | P | OP2 | OP3 | 129.2° | 120.0° |
| SP1 | P | O5' | OP3 | 115.8° | 120.1° |
| SP1 | P | O5' | C5' | 169.9° | 44.9° |
| SP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| SP1 | P | OP3 | HOP3 | 0.0° | 59.9° |
| OP2 | P | O5' | OP3 | 116.5° | 120.0° |
| OP2 | P | O5' | C5' | 42.2° | 75.0° |
| OP2 | P | OP3 | HOP3 | 133.6° | 60.0° |
| P | O5' | C5' | C4' | 171.5° | 180.0° |
| P | O5' | C5' | H5' | 68.2° | 60.0° |
| P | O5' | C5' | H5'' | 51.2° | 59.9° |
| O5' | P | OP2 | HOP2 | 118.8° | 60.0° |
| O5' | P | OP3 | HOP3 | 111.5° | 180.0° |
| N6 | C6 | C5 | N7 | 1.6° | 0.6° |
| N6 | C6 | C5 | N1 | 178.7° | 179.4° |
| N6 | C6 | C5 | C4 | 177.9° | 179.9° |
| N6 | C6 | N1 | C2 | 178.6° | 179.8° |
| C6 | N6 | H61 | H62 | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| C8 | N7 | C5 | C6 | 179.0° | 179.4° |
| C8 | N7 | C5 | C4 | 0.5° | 0.1° |
| N7 | C8 | N9 | C4 | 0.6° | 0.0° |
| N7 | C8 | N9 | C1' | 178.0° | 180.0° |
| C5 | N7 | C8 | N9 | 0.1° | 0.1° |
| N7 | C5 | C6 | C4 | 179.4° | 179.3° |
| N7 | C5 | C6 | N1 | 179.7° | 180.0° |
| N7 | C5 | C4 | N9 | 0.9° | 0.0° |
| N7 | C5 | C4 | N3 | 179.4° | 180.0° |
| C5 | N7 | C8 | H8 | 179.9° | 180.0° |
| O5' | C5' | C4' | H5' | 120.3° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.3° | 120.0° |
| O5' | C5' | C4' | O4' | 50.1° | 67.1° |
| O5' | C5' | C4' | C3' | 68.5° | 175.0° |
| O5' | C5' | C4' | H4' | 169.7° | 54.0° |
| O5' | C5' | H5' | H5'' | 119.1° | 120.0° |
| C5' | O5' | P | OP3 | 74.3° | 165.0° |
| C8 | N9 | C4 | C5 | 0.9° | 0.0° |
| C8 | N9 | C4 | C1' | 178.7° | 180.0° |
| C8 | N9 | C4 | N3 | 179.4° | 179.9° |
| C8 | N9 | C1' | O4' | 16.0° | 19.3° |
| C8 | N9 | C1' | C2' | 103.0° | 95.0° |
| C8 | N9 | C1' | H1 | 135.7° | 142.2° |
| C6 | C5 | C4 | N9 | 178.7° | 179.5° |
| C5 | C6 | N1 | C2 | 0.2° | 0.4° |
| C6 | C5 | C4 | N3 | 1.1° | 0.5° |
| C5 | C6 | N6 | H61 | 178.7° | 0.0° |
| C5 | C6 | N6 | H62 | 58.7° | 180.0° |
| N1 | C6 | C5 | C4 | 0.9° | 0.7° |
| C6 | N1 | C2 | N3 | 0.5° | 0.0° |
| C6 | N1 | C2 | H1' | 179.5° | 179.8° |
| N1 | C6 | N6 | H61 | 0.0° | 179.3° |
| N1 | C6 | N6 | H62 | 120.0° | 0.6° |
| C5 | C4 | N9 | N3 | 179.8° | 179.9° |
| C5 | C4 | N9 | C1' | 177.8° | 180.0° |
| C5 | C4 | N3 | C2 | 0.4° | 0.1° |
| C5' | C4' | O4' | C3' | 126.1° | 119.5° |
| C5' | C4' | O4' | H4' | 119.1° | 121.1° |
| C5' | C4' | O4' | C1' | 152.1° | 146.0° |
| C5' | C4' | C3' | H4' | 121.9° | 121.0° |
| C5' | C4' | C3' | O3' | 76.6° | 119.7° |
| C5' | C4' | C3' | C2' | 163.1° | 121.6° |
| C5' | C4' | C3' | H3' | 47.2° | 2.9° |
| C4' | C5' | H5' | H5'' | 119.1° | 120.0° |
| C4 | N9 | C1' | O4' | 162.3° | 160.8° |
| C4 | N9 | C1' | C2' | 78.6° | 85.0° |
| N9 | C4 | N3 | C2 | 179.3° | 180.0° |
| C4 | N9 | C1' | H1 | 42.7° | 37.9° |
| C4 | N9 | C8 | H8 | 179.4° | 180.0° |
| C1' | N9 | C4 | N3 | 2.0° | 0.0° |
| N9 | C1' | O4' | C4' | 124.4° | 158.6° |
| N9 | C1' | O4' | C2' | 123.6° | 118.6° |
| N9 | C1' | O4' | H1 | 119.4° | 122.9° |
| N9 | C1' | C2' | C3' | 95.6° | 155.7° |
| N9 | C1' | C2' | H1 | 121.9° | 122.8° |
| N9 | C1' | C2' | O2' | 150.3° | 86.1° |
| N9 | C1' | C2' | H2' | 24.0° | 37.5° |
| C1' | N9 | C8 | H8 | 2.0° | 0.1° |
| N1 | C2 | N3 | C4 | 0.4° | 0.2° |
| N1 | C2 | N3 | H1' | 180.0° | 179.8° |
| C4 | N3 | C2 | H1' | 179.6° | 180.0° |
| O4' | C4' | C3' | H4' | 115.6° | 119.4° |
| O4' | C4' | C3' | O3' | 160.9° | 120.7° |
| O4' | C4' | C3' | C2' | 40.7° | 2.0° |
| C4' | O4' | C1' | C2' | 0.8° | 40.0° |
| C4' | O4' | C1' | H1 | 116.2° | 78.5° |
| O4' | C4' | C3' | H3' | 75.3° | 116.7° |
| O4' | C4' | C5' | H5' | 170.4° | 172.9° |
| O4' | C4' | C5' | H5'' | 70.2° | 52.9° |
| C1' | O4' | C4' | C3' | 26.0° | 26.5° |
| O4' | C1' | C2' | C3' | 24.6° | 37.0° |
| O4' | C1' | C2' | H1 | 118.0° | 118.5° |
| O4' | C1' | C2' | O2' | 89.6° | 155.2° |
| O4' | C1' | C2' | H2' | 144.2° | 81.2° |
| C1' | O4' | C4' | H4' | 88.9° | 93.0° |
| C4' | C3' | O3' | C2' | 113.4° | 114.8° |
| C4' | C3' | O3' | H3' | 123.0° | 122.7° |
| C4' | C3' | C2' | H3' | 115.8° | 118.8° |
| C4' | C3' | C2' | C1' | 39.0° | 20.9° |
| C4' | C3' | C2' | O2' | 75.5° | 139.1° |
| C4' | C3' | C2' | H2' | 158.4° | 97.3° |
| C3' | C4' | C5' | H5' | 51.8° | 55.0° |
| C3' | C4' | C5' | H5'' | 171.2° | 65.0° |
| C4' | C3' | O3' | HO3' | 180.0° | 65.2° |
| O3' | C3' | C2' | H3' | 124.3° | 122.5° |
| O3' | C3' | C2' | C1' | 158.8° | 97.8° |
| O3' | C3' | C2' | O2' | 44.3° | 20.4° |
| O3' | C3' | C2' | H2' | 81.8° | 144.0° |
| O3' | C3' | C4' | H4' | 45.3° | 1.3° |
| C3' | C2' | C1' | O2' | 114.1° | 118.2° |
| C3' | C2' | C1' | H2' | 119.6° | 118.2° |
| C3' | C2' | O2' | H2' | 125.2° | 123.6° |
| C3' | C2' | O2' | CA' | 130.6° | 97.3° |
| C3' | C2' | C1' | H1 | 142.6° | 81.5° |
| C2' | C3' | C4' | H4' | 74.9° | 117.4° |
| C2' | C3' | O3' | HO3' | 66.6° | 180.0° |
| C1' | C2' | O2' | H2' | 125.2° | 123.6° |
| C1' | C2' | O2' | CA' | 119.8° | 150.0° |
| C1' | C2' | C3' | H3' | 76.9° | 139.7° |
| C2' | O2' | CA' | CB' | 88.0° | 180.0° |
| O2' | C2' | C1' | H1 | 28.4° | 36.7° |
| O2' | C2' | C3' | H3' | 168.6° | 102.1° |
| C2' | O2' | CA' | H9 | 32.1° | 60.0° |
| C2' | O2' | CA' | H10 | 152.0° | 60.0° |
| O2' | CA' | CB' | H9 | 120.0° | 119.9° |
| O2' | CA' | CB' | H10 | 120.0° | 120.0° |
| O2' | CA' | CB' | OC' | 151.0° | 65.0° |
| CA' | O2' | C2' | H2' | 5.4° | 26.3° |
| O2' | CA' | H9 | H10 | 120.0° | 120.0° |
| O2' | CA' | CB' | H11 | 88.9° | 175.0° |
| O2' | CA' | CB' | H12 | 30.9° | 54.9° |
| CA' | CB' | OC' | H11 | 120.1° | 120.0° |
| CA' | CB' | OC' | H12 | 120.1° | 119.9° |
| CA' | CB' | OC' | CD' | 163.6° | 180.0° |
| CB' | CA' | H9 | H10 | 119.9° | 120.0° |
| CA' | CB' | H11 | H12 | 119.7° | 120.0° |
| OC' | CB' | CA' | H9 | 31.0° | 175.1° |
| OC' | CB' | CA' | H10 | 89.0° | 55.0° |
| OC' | CB' | H11 | H12 | 119.7° | 120.0° |
| CB' | OC' | CD' | H13 | 180.0° | 60.0° |
| CB' | OC' | CD' | H14 | 60.0° | 60.0° |
| CB' | OC' | CD' | H15 | 60.0° | 180.0° |
| CD' | OC' | CB' | H11 | 76.3° | 60.0° |
| CD' | OC' | CB' | H12 | 43.5° | 60.1° |
| OC' | CD' | H13 | H14 | 120.0° | 120.0° |
| OC' | CD' | H13 | H15 | 120.0° | 120.0° |
| OC' | CD' | H14 | H15 | 120.0° | 120.0° |
| H1 | C1' | C2' | H2' | 97.8° | 160.3° |
| H2' | C2' | C3' | H3' | 42.5° | 21.5° |
| H3' | C3' | C4' | H4' | 169.1° | 123.9° |
| H3' | C3' | O3' | HO3' | 57.0° | 57.5° |
| H4' | C4' | C5' | H5' | 70.0° | 66.0° |
| H4' | C4' | C5' | H5'' | 49.4° | 174.0° |
| H9 | CA' | CB' | H11 | 151.1° | 55.0° |
| H9 | CA' | CB' | H12 | 89.1° | 65.0° |
| H10 | CA' | CB' | H11 | 31.1° | 65.0° |
| H10 | CA' | CB' | H12 | 150.9° | 174.9° |
| H13 | CD' | H14 | H15 | 120.0° | 120.0° |
| HOP2 | OP2 | P | OP3 | 129.2° | 60.0° |
