HF7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1G | PG | doub | 1.48Å | 1.48Å | |
| O1B | PB | doub | 1.48Å | 1.43Å | |
| O2B | PB | sing | 1.61Å | 1.42Å | |
| O3G | PG | sing | 1.61Å | 1.45Å | |
| PG | O3B | sing | 1.61Å | 1.61Å | |
| PG | O2G | sing | 1.61Å | 1.49Å | |
| PB | O3B | sing | 1.61Å | 1.60Å | |
| PB | O3A | sing | 1.61Å | 1.62Å | |
| O3A | PA | sing | 1.61Å | 1.56Å | |
| O2A | PA | doub | 1.48Å | 1.46Å | |
| PA | O5' | sing | 1.61Å | 1.63Å | |
| PA | O1A | sing | 1.61Å | 1.48Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C3' | C2' | sing | 1.55Å | 1.50Å | |
| C3' | C4' | sing | 1.55Å | 1.51Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| C1' | O4' | sing | 1.44Å | 1.51Å | |
| C1' | N9 | sing | 1.46Å | 1.43Å | |
| N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.44Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.31Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.37Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.42Å | |
| C6 | N1 | doub | 1.33Å | 1.27Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.31Å | Aromatic |
| C2 | CL2 | sing | 1.51Å | 1.48Å | |
| O1A | H1 | sing | 0.97Å | 0.95Å | |
| O2B | H2 | sing | 0.97Å | 0.95Å | |
| O3G | H3 | sing | 0.97Å | 0.95Å | |
| O2G | H4 | sing | 0.97Å | 0.95Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| O3' | H9 | sing | 0.97Å | 0.95Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| C2' | H11 | sing | 1.09Å | 1.10Å | |
| C1' | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| CL2 | H14 | sing | 1.09Å | 1.10Å | |
| CL2 | H15 | sing | 1.09Å | 1.10Å | |
| CL2 | H16 | sing | 1.09Å | 1.10Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| N6 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O3G | 105.4° | 109.5° |
| O1G | PG | O3B | 117.6° | 109.5° |
| O1G | PG | O2G | 116.5° | 109.5° |
| O1B | PB | O2B | 112.3° | 109.5° |
| O1B | PB | O3B | 116.1° | 109.5° |
| O1B | PB | O3A | 104.7° | 109.5° |
| O2B | PB | O3B | 105.9° | 109.5° |
| O2B | PB | O3A | 114.8° | 109.5° |
| PB | O2B | H2 | 109.5° | 114.0° |
| O3G | PG | O3B | 100.6° | 109.5° |
| O3G | PG | O2G | 106.0° | 109.5° |
| PG | O3G | H3 | 109.5° | 114.0° |
| O3B | PG | O2G | 108.8° | 109.5° |
| PG | O3B | PB | 127.4° | 134.0° |
| PG | O2G | H4 | 109.5° | 114.0° |
| O3B | PB | O3A | 103.0° | 109.5° |
| PB | O3A | PA | 129.9° | 134.0° |
| O3A | PA | O2A | 117.7° | 109.5° |
| O3A | PA | O5' | 103.1° | 109.5° |
| O3A | PA | O1A | 100.7° | 109.5° |
| O2A | PA | O5' | 106.7° | 109.4° |
| O2A | PA | O1A | 116.4° | 109.4° |
| O5' | PA | O1A | 111.5° | 109.5° |
| PA | O5' | C5' | 120.0° | 123.0° |
| PA | O1A | H1 | 109.5° | 114.0° |
| O5' | C5' | C4' | 107.3° | 109.5° |
| O5' | C5' | H5 | 110.0° | 109.4° |
| O5' | C5' | H6 | 110.0° | 109.4° |
| O3' | C3' | C2' | 111.1° | 110.9° |
| O3' | C3' | C4' | 107.6° | 110.9° |
| O3' | C3' | H8 | 110.9° | 110.8° |
| C3' | O3' | H9 | 109.5° | 113.9° |
| C2' | C3' | C4' | 106.4° | 102.1° |
| C3' | C2' | C1' | 104.2° | 104.2° |
| C2' | C3' | H8 | 110.4° | 110.9° |
| C3' | C2' | H10 | 110.8° | 110.5° |
| C3' | C2' | H11 | 110.8° | 110.5° |
| C3' | C4' | C5' | 111.5° | 110.6° |
| C3' | C4' | O4' | 105.9° | 103.5° |
| C3' | C4' | H7 | 109.9° | 110.8° |
| C4' | C3' | H8 | 110.3° | 110.9° |
| C5' | C4' | O4' | 109.6° | 110.6° |
| C4' | C5' | H5 | 110.0° | 109.5° |
| C4' | C5' | H6 | 110.0° | 109.5° |
| C5' | C4' | H7 | 109.5° | 110.5° |
| C2' | C1' | O4' | 103.6° | 107.3° |
| C2' | C1' | N9 | 120.6° | 109.9° |
| C1' | C2' | H10 | 110.8° | 110.5° |
| C1' | C2' | H11 | 110.8° | 110.4° |
| C2' | C1' | H12 | 110.1° | 109.9° |
| C4' | O4' | C1' | 110.1° | 107.0° |
| O4' | C4' | H7 | 110.5° | 110.6° |
| N9 | C8 | N7 | 110.7° | 110.0° |
| C8 | N9 | C1' | 127.5° | 126.3° |
| C8 | N9 | C4 | 109.6° | 107.4° |
| N9 | C8 | H13 | 124.6° | 125.0° |
| C8 | N7 | C5 | 107.0° | 109.4° |
| N7 | C8 | H13 | 124.6° | 125.0° |
| O4' | C1' | N9 | 99.4° | 109.9° |
| O4' | C1' | H12 | 110.4° | 109.9° |
| C1' | N9 | C4 | 122.9° | 126.3° |
| N9 | C1' | H12 | 111.5° | 110.0° |
| N9 | C4 | C5 | 105.7° | 106.0° |
| N9 | C4 | N3 | 134.9° | 134.9° |
| N7 | C5 | C4 | 106.9° | 107.2° |
| N7 | C5 | C6 | 132.4° | 134.6° |
| C5 | C4 | N3 | 119.4° | 119.1° |
| C4 | C5 | C6 | 120.6° | 118.2° |
| C4 | N3 | C2 | 113.3° | 120.6° |
| C5 | C6 | N6 | 125.0° | 120.8° |
| C5 | C6 | N1 | 117.0° | 118.5° |
| N3 | C2 | N1 | 129.9° | 122.5° |
| N3 | C2 | CL2 | 118.3° | 118.7° |
| N6 | C6 | N1 | 117.7° | 120.7° |
| C6 | N6 | H17 | 109.5° | 120.0° |
| C6 | N6 | H18 | 109.4° | 120.0° |
| C6 | N1 | C2 | 119.5° | 121.2° |
| N1 | C2 | CL2 | 111.9° | 118.8° |
| C2 | CL2 | H14 | 109.5° | 109.4° |
| C2 | CL2 | H15 | 109.5° | 109.5° |
| C2 | CL2 | H16 | 109.5° | 109.5° |
| H5 | C5' | H6 | 109.5° | 109.5° |
| H10 | C2' | H11 | 109.5° | 110.5° |
| H14 | CL2 | H15 | 109.4° | 109.5° |
| H14 | CL2 | H16 | 109.5° | 109.5° |
| H15 | CL2 | H16 | 109.5° | 109.5° |
| H17 | N6 | H18 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O3G | O3B | 122.8° | 120.0° |
| O1G | PG | O3G | O2G | 124.0° | 120.0° |
| O1G | PG | O3B | O2G | 135.2° | 120.0° |
| O1G | PG | O3B | PB | 37.3° | 45.0° |
| O1G | PG | O3G | H3 | 0.0° | 60.0° |
| O1G | PG | O2G | H4 | 0.0° | 180.0° |
| O1B | PB | O2B | O3B | 127.7° | 120.0° |
| O1B | PB | O2B | O3A | 119.4° | 120.0° |
| O1B | PB | O3B | PG | 9.0° | 45.0° |
| O1B | PB | O3B | O3A | 113.7° | 120.0° |
| O1B | PB | O3A | PA | 152.0° | 40.0° |
| O1B | PB | O2B | H2 | 0.0° | 180.0° |
| O2B | PB | O3B | PG | 134.4° | 75.0° |
| O2B | PB | O3B | O3A | 120.9° | 120.0° |
| O2B | PB | O3A | PA | 28.4° | 80.0° |
| O3G | PG | O3B | O2G | 111.1° | 120.0° |
| O3G | PG | O3B | PB | 151.1° | 165.0° |
| O3G | PG | O2G | H4 | 116.8° | 60.0° |
| PG | O3B | PB | O3A | 104.7° | 165.0° |
| O3B | PG | O3G | H3 | 122.8° | 180.0° |
| O3B | PG | O2G | H4 | 135.8° | 60.0° |
| O2G | PG | O3B | PB | 97.9° | 75.0° |
| O2G | PG | O3G | H3 | 124.0° | 60.0° |
| O3B | PB | O3A | PA | 86.2° | 160.0° |
| O3B | PB | O2B | H2 | 127.6° | 60.0° |
| PB | O3A | PA | O2A | 1.5° | 45.0° |
| PB | O3A | PA | O5' | 115.6° | 165.0° |
| PB | O3A | PA | O1A | 129.1° | 75.0° |
| O3A | PB | O2B | H2 | 119.5° | 60.0° |
| O3A | PA | O2A | O5' | 115.2° | 120.0° |
| O3A | PA | O2A | O1A | 119.7° | 120.0° |
| O3A | PA | O5' | O1A | 107.3° | 120.0° |
| O3A | PA | O5' | C5' | 64.7° | 175.0° |
| O3A | PA | O1A | H1 | 128.5° | 60.0° |
| O2A | PA | O5' | O1A | 128.0° | 119.9° |
| O2A | PA | O5' | C5' | 170.6° | 55.0° |
| O2A | PA | O1A | H1 | 0.0° | 180.0° |
| PA | O5' | C5' | C4' | 153.0° | 180.0° |
| O5' | PA | O1A | H1 | 122.6° | 60.1° |
| PA | O5' | C5' | H5 | 87.4° | 60.0° |
| PA | O5' | C5' | H6 | 33.3° | 60.0° |
| O1A | PA | O5' | C5' | 42.6° | 64.9° |
| O5' | C5' | C4' | C3' | 59.5° | 179.5° |
| O5' | C5' | C4' | H5 | 119.7° | 120.0° |
| O5' | C5' | C4' | H6 | 119.7° | 120.0° |
| O5' | C5' | C4' | O4' | 57.4° | 66.5° |
| O5' | C5' | H5 | H6 | 121.0° | 119.9° |
| O5' | C5' | C4' | H7 | 178.7° | 56.4° |
| O3' | C3' | C2' | C4' | 116.9° | 118.2° |
| O3' | C3' | C2' | H8 | 123.4° | 123.6° |
| O3' | C3' | C4' | H8 | 121.1° | 123.6° |
| O3' | C3' | C4' | C5' | 143.0° | 86.3° |
| O3' | C3' | C2' | C1' | 85.5° | 139.1° |
| O3' | C3' | C4' | O4' | 97.9° | 155.2° |
| O3' | C3' | C4' | H7 | 21.4° | 36.6° |
| O3' | C3' | C2' | H10 | 155.3° | 102.3° |
| O3' | C3' | C2' | H11 | 33.6° | 20.4° |
| C2' | C3' | C4' | H8 | 119.8° | 118.2° |
| C2' | C3' | C4' | C5' | 97.9° | 155.5° |
| C3' | C2' | C1' | H10 | 119.1° | 118.7° |
| C3' | C2' | C1' | H11 | 119.2° | 118.7° |
| C2' | C3' | C4' | O4' | 21.2° | 37.1° |
| C3' | C2' | C1' | O4' | 28.9° | 2.0° |
| C3' | C2' | C1' | N9 | 138.7° | 121.4° |
| C2' | C3' | C4' | H7 | 140.5° | 81.5° |
| C2' | C3' | O3' | H9 | 180.0° | 61.4° |
| C3' | C2' | H10 | H11 | 122.5° | 122.7° |
| C3' | C2' | C1' | H12 | 89.2° | 117.4° |
| C3' | C4' | C5' | O4' | 116.9° | 114.0° |
| C3' | C4' | C5' | H7 | 121.8° | 123.1° |
| C4' | C3' | C2' | C1' | 31.3° | 20.9° |
| C3' | C4' | O4' | H7 | 118.9° | 118.7° |
| C3' | C4' | O4' | C1' | 2.5° | 40.1° |
| C3' | C4' | C5' | H5 | 60.2° | 60.5° |
| C3' | C4' | C5' | H6 | 179.2° | 59.5° |
| C4' | C3' | O3' | H9 | 63.9° | 174.1° |
| C4' | C3' | C2' | H10 | 87.8° | 139.6° |
| C4' | C3' | C2' | H11 | 150.5° | 97.8° |
| C5' | C4' | O4' | H7 | 120.7° | 122.8° |
| C5' | C4' | O4' | C1' | 117.9° | 158.6° |
| C4' | C5' | H5 | H6 | 121.0° | 120.1° |
| C5' | C4' | C3' | H8 | 21.9° | 37.3° |
| C2' | C1' | O4' | C4' | 16.6° | 26.5° |
| C2' | C1' | N9 | C8 | 26.2° | 95.0° |
| C2' | C1' | O4' | N9 | 124.8° | 119.4° |
| C2' | C1' | O4' | H12 | 117.8° | 119.4° |
| C2' | C1' | N9 | H12 | 131.5° | 121.1° |
| C2' | C1' | N9 | C4 | 155.6° | 85.0° |
| C1' | C2' | C3' | H8 | 151.0° | 97.3° |
| C1' | C2' | H10 | H11 | 122.4° | 122.5° |
| C4' | O4' | C1' | N9 | 141.4° | 145.9° |
| O4' | C4' | C5' | H5 | 177.1° | 53.5° |
| O4' | C4' | C5' | H6 | 62.3° | 173.5° |
| O4' | C4' | C3' | H8 | 141.0° | 81.2° |
| C4' | O4' | C1' | H12 | 101.3° | 92.9° |
| N9 | C8 | N7 | H13 | 180.0° | 179.9° |
| C8 | N9 | C1' | O4' | 85.8° | 22.8° |
| C8 | N9 | C1' | C4 | 178.2° | 179.9° |
| N9 | C8 | N7 | C5 | 2.0° | 0.0° |
| C8 | N9 | C4 | C5 | 0.6° | 0.0° |
| C8 | N9 | C4 | N3 | 177.6° | 179.1° |
| C8 | N9 | C1' | H12 | 157.7° | 143.9° |
| N7 | C8 | N9 | C1' | 180.0° | 179.9° |
| N7 | C8 | N9 | C4 | 1.7° | 0.0° |
| C8 | N7 | C5 | C4 | 1.5° | 0.0° |
| C8 | N7 | C5 | C6 | 175.1° | 180.0° |
| O4' | C1' | N9 | H12 | 116.5° | 121.1° |
| O4' | C1' | N9 | C4 | 92.4° | 157.2° |
| C1' | O4' | C4' | H7 | 121.4° | 78.6° |
| O4' | C1' | C2' | H10 | 90.2° | 116.6° |
| O4' | C1' | C2' | H11 | 148.1° | 120.8° |
| C1' | N9 | C4 | C5 | 179.1° | 179.9° |
| C1' | N9 | C4 | N3 | 4.0° | 0.9° |
| N9 | C1' | C2' | H10 | 19.6° | 2.7° |
| N9 | C1' | C2' | H11 | 102.1° | 119.9° |
| C1' | N9 | C8 | H13 | 0.0° | 0.0° |
| N9 | C4 | C5 | N7 | 0.6° | 0.0° |
| N9 | C4 | C5 | N3 | 177.5° | 179.3° |
| N9 | C4 | C5 | C6 | 176.6° | 180.0° |
| N9 | C4 | N3 | C2 | 179.7° | 179.5° |
| C4 | N9 | C1' | H12 | 24.1° | 36.1° |
| C4 | N9 | C8 | H13 | 178.3° | 179.9° |
| N7 | C5 | C4 | C6 | 177.2° | 180.0° |
| N7 | C5 | C4 | N3 | 177.0° | 179.3° |
| N7 | C5 | C6 | N6 | 3.9° | 0.1° |
| N7 | C5 | C6 | N1 | 177.1° | 179.5° |
| C5 | N7 | C8 | H13 | 178.0° | 179.9° |
| C5 | C4 | N3 | C2 | 3.7° | 0.4° |
| C4 | C5 | C6 | N6 | 179.8° | 179.9° |
| C4 | C5 | C6 | N1 | 6.5° | 0.5° |
| N3 | C4 | C5 | C6 | 5.9° | 0.7° |
| C4 | N3 | C2 | N1 | 2.8° | 0.0° |
| C4 | N3 | C2 | CL2 | 175.7° | 179.8° |
| C5 | C6 | N6 | N1 | 173.2° | 179.4° |
| C5 | C6 | N1 | C2 | 5.3° | 0.1° |
| C5 | C6 | N6 | H17 | 173.2° | 0.1° |
| C5 | C6 | N6 | H18 | 66.7° | 180.0° |
| N3 | C2 | N1 | C6 | 3.8° | 0.2° |
| N3 | C2 | N1 | CL2 | 178.6° | 179.7° |
| N3 | C2 | CL2 | H14 | 0.0° | 90.3° |
| N3 | C2 | CL2 | H15 | 120.0° | 29.7° |
| N3 | C2 | CL2 | H16 | 120.0° | 149.7° |
| N6 | C6 | N1 | C2 | 179.1° | 179.5° |
| C6 | N6 | H17 | H18 | 120.0° | 179.9° |
| C6 | N1 | C2 | CL2 | 174.8° | 179.9° |
| N1 | C6 | N6 | H17 | 0.0° | 179.5° |
| N1 | C6 | N6 | H18 | 120.0° | 0.6° |
| N1 | C2 | CL2 | H14 | 178.8° | 90.0° |
| N1 | C2 | CL2 | H15 | 58.8° | 150.0° |
| N1 | C2 | CL2 | H16 | 61.2° | 30.0° |
| C2 | CL2 | H14 | H15 | 120.0° | 120.0° |
| C2 | CL2 | H14 | H16 | 120.0° | 119.9° |
| C2 | CL2 | H15 | H16 | 120.0° | 120.0° |
| H5 | C5' | C4' | H7 | 61.6° | 176.4° |
| H6 | C5' | C4' | H7 | 59.0° | 63.6° |
| H7 | C4' | C3' | H8 | 99.7° | 160.2° |
| H8 | C3' | O3' | H9 | 56.8° | 62.2° |
| H8 | C3' | C2' | H10 | 31.9° | 21.3° |
| H8 | C3' | C2' | H11 | 89.8° | 144.0° |
| H10 | C2' | C1' | H12 | 151.7° | 123.9° |
| H11 | C2' | C1' | H12 | 30.0° | 1.3° |
| H14 | CL2 | H15 | H16 | 120.0° | 120.0° |
