2FI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O3P | sing | 1.61Å | 1.61Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| O1P | P | doub | 1.48Å | 1.50Å | |
| O2P | P | sing | 1.61Å | 1.49Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C5 | C6 | sing | 1.42Å | 1.44Å | |
| C6 | N1 | sing | 1.35Å | 1.41Å | |
| N1 | C2 | sing | 1.36Å | 1.39Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N3 | C2 | doub | 1.30Å | 1.35Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | N3 | sing | 1.34Å | 1.38Å | |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| F1' | C2' | sing | 1.40Å | 1.36Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O3P | HO3P | 109.5° | 114.0° |
| O3P | P | O1P | 109.0° | 109.5° |
| O3P | P | O2P | 110.7° | 109.4° |
| O3P | P | O5' | 104.2° | 109.5° |
| O1P | P | O2P | 118.7° | 109.5° |
| O1P | P | O5' | 105.8° | 109.5° |
| O2P | P | O5' | 107.3° | 109.5° |
| P | O2P | HO2P | 109.5° | 114.0° |
| P | O5' | C5' | 121.0° | 123.0° |
| O5' | C5' | C4' | 110.9° | 109.5° |
| O5' | C5' | H5' | 109.0° | 109.5° |
| O5' | C5' | H5'A | 108.7° | 109.5° |
| O6 | C6 | C5 | 127.7° | 120.9° |
| O6 | C6 | N1 | 119.9° | 120.9° |
| C5 | C6 | N1 | 112.4° | 118.1° |
| C6 | C5 | C4 | 118.4° | 118.5° |
| C6 | C5 | N7 | 130.7° | 134.2° |
| C6 | N1 | C2 | 125.1° | 120.4° |
| C6 | N1 | HN1 | 117.5° | 119.8° |
| C2 | N1 | HN1 | 117.5° | 119.9° |
| N1 | C2 | N3 | 123.1° | 122.2° |
| N1 | C2 | H2 | 118.5° | 118.9° |
| N3 | C2 | H2 | 118.4° | 118.9° |
| C2 | N3 | C4 | 112.9° | 121.3° |
| N3 | C4 | N9 | 126.9° | 134.3° |
| N3 | C4 | C5 | 128.1° | 119.5° |
| N9 | C4 | C5 | 105.0° | 106.1° |
| C4 | N9 | C8 | 106.3° | 107.5° |
| C4 | N9 | C1' | 126.1° | 126.2° |
| C4 | C5 | N7 | 110.9° | 107.3° |
| C5 | N7 | C8 | 104.0° | 109.3° |
| N7 | C8 | N9 | 113.7° | 109.8° |
| N7 | C8 | H8 | 123.1° | 125.1° |
| N9 | C8 | H8 | 123.2° | 125.1° |
| C8 | N9 | C1' | 127.6° | 126.3° |
| N9 | C1' | C2' | 115.1° | 110.4° |
| N9 | C1' | O4' | 109.5° | 110.4° |
| N9 | C1' | H1' | 104.5° | 110.5° |
| F1' | C2' | C3' | 113.5° | 110.5° |
| F1' | C2' | C1' | 112.4° | 110.5° |
| F1' | C2' | H2' | 103.3° | 110.4° |
| C3' | C2' | C1' | 104.8° | 104.1° |
| C3' | C2' | H2' | 111.0° | 110.7° |
| C2' | C3' | C4' | 104.7° | 104.0° |
| C2' | C3' | O3' | 108.1° | 110.5° |
| C2' | C3' | H3' | 114.4° | 110.5° |
| C1' | C2' | H2' | 112.1° | 110.5° |
| C2' | C1' | O4' | 105.9° | 104.7° |
| C2' | C1' | H1' | 108.2° | 110.3° |
| C4' | C5' | H5' | 109.0° | 109.5° |
| C4' | C5' | H5'A | 108.7° | 109.5° |
| C5' | C4' | C3' | 114.7° | 110.4° |
| C5' | C4' | O4' | 111.2° | 110.4° |
| C5' | C4' | H4' | 103.3° | 110.3° |
| H5' | C5' | H5'A | 110.6° | 109.5° |
| C3' | C4' | O4' | 105.2° | 104.8° |
| C3' | C4' | H4' | 109.5° | 110.5° |
| C4' | C3' | O3' | 112.3° | 110.5° |
| C4' | C3' | H3' | 110.3° | 110.5° |
| O4' | C4' | H4' | 113.1° | 110.4° |
| C4' | O4' | C1' | 107.9° | 105.3° |
| O4' | C1' | H1' | 113.9° | 110.4° |
| O3' | C3' | H3' | 107.1° | 110.6° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O1P | O2P | 128.0° | 120.0° |
| O3P | P | O1P | O5' | 111.5° | 120.0° |
| O3P | P | O2P | O5' | 113.1° | 120.0° |
| O3P | P | O2P | HO2P | 126.1° | 60.0° |
| O3P | P | O5' | C5' | 21.0° | 65.0° |
| HO3P | O3P | P | O1P | 167.5° | 180.0° |
| HO3P | O3P | P | O2P | 60.2° | 60.0° |
| HO3P | O3P | P | O5' | 54.9° | 60.0° |
| O1P | P | O2P | O5' | 119.7° | 120.0° |
| O1P | P | O2P | HO2P | 1.0° | 60.0° |
| O1P | P | O5' | C5' | 93.9° | 55.0° |
| O2P | P | O5' | C5' | 138.5° | 175.0° |
| O5' | P | O2P | HO2P | 120.7° | 180.0° |
| P | O5' | C5' | C4' | 124.7° | 180.0° |
| P | O5' | C5' | H5' | 115.3° | 60.0° |
| P | O5' | C5' | H5'A | 5.3° | 60.0° |
| O5' | C5' | C4' | H5' | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'A | 119.4° | 120.0° |
| O5' | C5' | H5' | H5'A | 119.4° | 120.0° |
| O5' | C5' | C4' | C3' | 39.1° | 178.1° |
| O5' | C5' | C4' | O4' | 80.2° | 66.4° |
| O5' | C5' | C4' | H4' | 158.2° | 55.8° |
| O6 | C6 | C5 | N1 | 179.5° | 179.8° |
| O6 | C6 | N1 | C2 | 180.0° | 180.0° |
| O6 | C6 | N1 | HN1 | 0.0° | 0.0° |
| O6 | C6 | C5 | C4 | 179.8° | 179.7° |
| O6 | C6 | C5 | N7 | 0.8° | 0.0° |
| C5 | C6 | N1 | C2 | 0.5° | 0.2° |
| C5 | C6 | N1 | HN1 | 179.5° | 179.7° |
| C6 | C5 | C4 | N3 | 1.0° | 0.6° |
| C6 | C5 | C4 | N9 | 179.7° | 179.7° |
| C6 | C5 | C4 | N7 | 179.2° | 179.8° |
| C6 | C5 | N7 | C8 | 179.5° | 180.0° |
| C6 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.4° | 0.1° |
| C6 | N1 | C2 | H2 | 179.6° | 180.0° |
| N1 | C6 | C5 | C4 | 0.7° | 0.5° |
| N1 | C6 | C5 | N7 | 179.7° | 179.8° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.5° | 0.0° |
| HN1 | N1 | C2 | N3 | 179.6° | 180.0° |
| HN1 | N1 | C2 | H2 | 0.4° | 0.1° |
| C2 | N3 | C4 | N9 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.9° | 0.3° |
| H2 | C2 | N3 | C4 | 179.5° | 180.0° |
| N3 | C4 | N9 | C5 | 179.3° | 179.7° |
| N3 | C4 | C5 | N7 | 179.8° | 179.7° |
| N3 | C4 | N9 | C8 | 179.6° | 179.3° |
| N3 | C4 | N9 | C1' | 0.6° | 0.1° |
| N9 | C4 | C5 | N7 | 0.5° | 0.1° |
| C4 | N9 | C8 | N7 | 0.0° | 0.7° |
| C4 | N9 | C8 | C1' | 179.8° | 179.4° |
| C4 | N9 | C8 | H8 | 180.0° | 180.0° |
| C4 | N9 | C1' | C2' | 95.3° | 84.3° |
| C4 | N9 | C1' | O4' | 145.6° | 160.4° |
| C4 | N9 | C1' | H1' | 23.2° | 38.0° |
| C4 | C5 | N7 | C8 | 0.5° | 0.3° |
| C5 | C4 | N9 | C8 | 0.3° | 0.5° |
| C5 | C4 | N9 | C1' | 179.9° | 179.8° |
| C5 | N7 | C8 | N9 | 0.3° | 0.6° |
| C5 | N7 | C8 | H8 | 179.7° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 179.3° |
| N7 | C8 | N9 | C1' | 179.8° | 179.9° |
| C8 | N9 | C1' | C2' | 85.0° | 95.0° |
| C8 | N9 | C1' | O4' | 34.1° | 20.3° |
| C8 | N9 | C1' | H1' | 156.5° | 142.7° |
| H8 | C8 | N9 | C1' | 0.2° | 0.6° |
| N9 | C1' | C2' | F1' | 17.0° | 24.2° |
| N9 | C1' | C2' | C3' | 140.7° | 142.8° |
| N9 | C1' | C2' | O4' | 121.1° | 118.8° |
| N9 | C1' | C2' | H1' | 116.4° | 122.4° |
| N9 | C1' | C2' | H2' | 98.8° | 98.4° |
| N9 | C1' | O4' | C4' | 158.3° | 159.3° |
| N9 | C1' | O4' | H1' | 116.6° | 122.4° |
| F1' | C2' | C3' | C1' | 123.0° | 118.6° |
| F1' | C2' | C3' | H2' | 115.7° | 122.7° |
| F1' | C2' | C1' | H2' | 115.8° | 122.5° |
| F1' | C2' | C3' | C4' | 123.2° | 118.6° |
| F1' | C2' | C1' | O4' | 104.1° | 94.7° |
| F1' | C2' | C1' | H1' | 133.4° | 146.5° |
| F1' | C2' | C3' | O3' | 116.9° | 122.7° |
| F1' | C2' | C3' | H3' | 2.3° | 0.0° |
| C3' | C2' | C1' | H2' | 120.6° | 118.8° |
| C2' | C3' | C4' | C5' | 142.4° | 142.8° |
| C2' | C3' | C4' | O3' | 117.0° | 118.6° |
| C2' | C3' | C4' | H3' | 123.5° | 118.6° |
| C2' | C3' | C4' | O4' | 19.8° | 24.0° |
| C2' | C3' | C4' | H4' | 102.0° | 94.9° |
| C3' | C2' | C1' | O4' | 19.6° | 24.0° |
| C3' | C2' | C1' | H1' | 102.9° | 94.8° |
| C2' | C3' | O3' | H3' | 123.7° | 122.7° |
| C2' | C3' | O3' | HO3' | 132.5° | 61.5° |
| C1' | C2' | C3' | C4' | 0.2° | 0.0° |
| C2' | C1' | O4' | C4' | 33.7° | 40.5° |
| C2' | C1' | O4' | H1' | 118.8° | 118.7° |
| C1' | C2' | C3' | O3' | 120.1° | 118.6° |
| C1' | C2' | C3' | H3' | 120.7° | 118.6° |
| H2' | C2' | C3' | C4' | 121.0° | 118.7° |
| H2' | C2' | C1' | O4' | 140.1° | 142.8° |
| H2' | C2' | C1' | H1' | 17.6° | 24.0° |
| H2' | C2' | C3' | O3' | 1.1° | 0.1° |
| H2' | C2' | C3' | H3' | 118.1° | 122.7° |
| C4' | C5' | H5' | H5'A | 119.5° | 120.0° |
| C5' | C4' | C3' | O4' | 122.5° | 118.8° |
| C5' | C4' | C3' | H4' | 115.6° | 122.2° |
| C5' | C4' | O4' | H4' | 115.7° | 122.2° |
| C5' | C4' | O4' | C1' | 158.4° | 159.4° |
| C5' | C4' | C3' | O3' | 100.6° | 98.5° |
| C5' | C4' | C3' | H3' | 18.8° | 24.3° |
| H5' | C5' | C4' | C3' | 80.9° | 61.9° |
| H5' | C5' | C4' | O4' | 159.8° | 53.5° |
| H5' | C5' | C4' | H4' | 38.2° | 175.8° |
| H5'A | C5' | C4' | C3' | 158.5° | 58.1° |
| H5'A | C5' | C4' | O4' | 39.2° | 173.5° |
| H5'A | C5' | C4' | H4' | 82.4° | 64.2° |
| C3' | C4' | O4' | H4' | 119.5° | 119.0° |
| C3' | C4' | O4' | C1' | 33.7° | 40.6° |
| C4' | C3' | O3' | H3' | 121.3° | 122.7° |
| C4' | C3' | O3' | HO3' | 112.5° | 176.1° |
| C4' | O4' | C1' | H1' | 85.2° | 78.2° |
| O4' | C4' | C3' | O3' | 136.9° | 142.6° |
| O4' | C4' | C3' | H3' | 103.7° | 94.6° |
| H4' | C4' | O4' | C1' | 85.9° | 78.4° |
| H4' | C4' | C3' | O3' | 15.0° | 23.7° |
| H4' | C4' | C3' | H3' | 134.4° | 146.5° |
| H3' | C3' | O3' | HO3' | 8.8° | 61.2° |
