2FE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O3P | sing | 1.61Å | 1.60Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| O1P | P | doub | 1.48Å | 1.48Å | |
| P | O2P | sing | 1.61Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.60Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.37Å | |
| F1' | C2' | sing | 1.40Å | 1.36Å | |
| C8 | N9 | sing | 1.36Å | 1.38Å | Aromatic |
| C1' | N9 | sing | 1.47Å | 1.49Å | |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.46Å | 1.43Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.30Å | 1.36Å | Aromatic |
| N1 | C2 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | N1 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | C10 | sing | 1.37Å | 1.36Å | Aromatic |
| C6 | N6 | doub | 1.32Å | 1.30Å | Aromatic |
| C11 | C10 | doub | 1.35Å | 1.35Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N6 | C11 | sing | 1.34Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| C2' | C1' | sing | 1.54Å | 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 | 1.49Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| 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 | 108.7° | 109.5° |
| O3P | P | O2P | 109.3° | 109.5° |
| O3P | P | O5' | 101.2° | 109.5° |
| O1P | P | O2P | 118.6° | 109.5° |
| O1P | P | O5' | 109.2° | 109.4° |
| O2P | P | O5' | 108.4° | 109.5° |
| P | O2P | HO2P | 109.5° | 114.0° |
| P | O5' | C5' | 120.6° | 123.0° |
| O5' | C5' | C4' | 111.0° | 109.5° |
| O5' | C5' | H5' | 109.0° | 109.5° |
| O5' | C5' | H5'A | 108.7° | 109.4° |
| F1' | C2' | C3' | 109.4° | 110.5° |
| F1' | C2' | C1' | 115.2° | 110.5° |
| F1' | C2' | H2' | 103.1° | 110.5° |
| C8 | N9 | C1' | 128.7° | 126.3° |
| C8 | N9 | C4 | 104.8° | 107.5° |
| N9 | C8 | N7 | 114.9° | 109.7° |
| N9 | C8 | H8 | 122.5° | 125.1° |
| C1' | N9 | C4 | 126.4° | 126.3° |
| N9 | C1' | C2' | 113.0° | 110.4° |
| N9 | C1' | O4' | 112.1° | 110.3° |
| N9 | C1' | H1' | 103.4° | 110.4° |
| N9 | C4 | C5 | 105.1° | 106.0° |
| N9 | C4 | N3 | 128.6° | 134.3° |
| N7 | C8 | H8 | 122.5° | 125.2° |
| C8 | N7 | C5 | 103.9° | 109.4° |
| N7 | C5 | C4 | 111.2° | 107.5° |
| N7 | C5 | C6 | 131.9° | 134.8° |
| C4 | C5 | C6 | 116.8° | 117.8° |
| C5 | C4 | N3 | 126.3° | 119.8° |
| C5 | C6 | N1 | 118.3° | 117.6° |
| C5 | C6 | N6 | 126.5° | 134.1° |
| C4 | N3 | C2 | 111.6° | 122.4° |
| N3 | C2 | N1 | 127.9° | 122.6° |
| N3 | C2 | H2 | 116.1° | 118.7° |
| N1 | C2 | H2 | 116.0° | 118.7° |
| C2 | N1 | C6 | 119.1° | 119.8° |
| C2 | N1 | C10 | 135.1° | 133.5° |
| C6 | N1 | C10 | 105.8° | 106.7° |
| N1 | C6 | N6 | 115.1° | 108.3° |
| N1 | C10 | C11 | 104.9° | 107.2° |
| N1 | C10 | H10 | 127.6° | 126.4° |
| C6 | N6 | C11 | 100.8° | 109.2° |
| C11 | C10 | H10 | 127.5° | 126.4° |
| C10 | C11 | N6 | 113.4° | 108.7° |
| C10 | C11 | H11 | 123.3° | 125.7° |
| N6 | C11 | H11 | 123.3° | 125.7° |
| C3' | C2' | C1' | 99.8° | 104.0° |
| C3' | C2' | H2' | 117.7° | 110.6° |
| C2' | C3' | C4' | 102.3° | 104.1° |
| C2' | C3' | O3' | 113.6° | 110.5° |
| C2' | C3' | H3' | 114.4° | 110.5° |
| C1' | C2' | H2' | 112.2° | 110.5° |
| C2' | C1' | O4' | 103.3° | 104.8° |
| C2' | C1' | H1' | 112.3° | 110.4° |
| C4' | C5' | H5' | 109.0° | 109.5° |
| C4' | C5' | H5'A | 108.6° | 109.5° |
| C5' | C4' | C3' | 104.6° | 110.4° |
| C5' | C4' | O4' | 113.1° | 110.4° |
| C5' | C4' | H4' | 109.6° | 110.3° |
| H5' | C5' | H5'A | 110.6° | 109.5° |
| C3' | C4' | O4' | 107.3° | 104.8° |
| C3' | C4' | H4' | 115.3° | 110.4° |
| C4' | C3' | O3' | 116.6° | 110.5° |
| C4' | C3' | H3' | 111.2° | 110.5° |
| O4' | C4' | H4' | 107.1° | 110.4° |
| C4' | O4' | C1' | 106.7° | 105.2° |
| O4' | C1' | H1' | 113.1° | 110.4° |
| O3' | C3' | H3' | 99.3° | 110.6° |
| C3' | O3' | HO3' | 109.5° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O1P | O2P | 125.6° | 120.0° |
| O3P | P | O1P | O5' | 109.6° | 120.0° |
| O3P | P | O2P | O5' | 109.5° | 120.0° |
| O3P | P | O2P | HO2P | 135.5° | 60.0° |
| O3P | P | O5' | C5' | 161.1° | 175.0° |
| HO3P | O3P | P | O1P | 174.0° | 60.0° |
| HO3P | O3P | P | O2P | 43.1° | 60.0° |
| HO3P | O3P | P | O5' | 71.1° | 180.0° |
| O1P | P | O2P | O5' | 125.2° | 120.0° |
| O1P | P | O2P | HO2P | 10.2° | 180.0° |
| O1P | P | O5' | C5' | 84.4° | 55.0° |
| O2P | P | O5' | C5' | 46.2° | 65.0° |
| O5' | P | O2P | HO2P | 115.0° | 60.0° |
| P | O5' | C5' | C4' | 113.6° | 180.0° |
| P | O5' | C5' | H5' | 6.4° | 60.0° |
| P | O5' | C5' | H5'A | 127.0° | 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' | 158.5° | 178.1° |
| O5' | C5' | C4' | O4' | 42.1° | 66.4° |
| O5' | C5' | C4' | H4' | 77.3° | 55.8° |
| F1' | C2' | C1' | N9 | 49.2° | 24.2° |
| F1' | C2' | C3' | C1' | 121.3° | 118.6° |
| F1' | C2' | C3' | H2' | 117.2° | 122.7° |
| F1' | C2' | C1' | H2' | 117.5° | 122.6° |
| F1' | C2' | C3' | C4' | 81.7° | 118.6° |
| F1' | C2' | C1' | O4' | 72.2° | 94.6° |
| F1' | C2' | C1' | H1' | 165.7° | 146.5° |
| F1' | C2' | C3' | O3' | 151.7° | 122.7° |
| F1' | C2' | C3' | H3' | 38.6° | 0.1° |
| C8 | N9 | C1' | C4 | 180.0° | 179.6° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.4° | 0.0° |
| C8 | N9 | C4 | C5 | 0.2° | 0.0° |
| C8 | N9 | C4 | N3 | 179.9° | 180.0° |
| C8 | N9 | C1' | C2' | 63.8° | 94.6° |
| C8 | N9 | C1' | O4' | 52.5° | 20.7° |
| C8 | N9 | C1' | H1' | 174.6° | 143.0° |
| C1' | N9 | C8 | N7 | 179.5° | 179.7° |
| C1' | N9 | C8 | H8 | 0.4° | 0.4° |
| C1' | N9 | C4 | C5 | 179.7° | 179.7° |
| C1' | N9 | C4 | N3 | 0.2° | 0.4° |
| N9 | C1' | C2' | C3' | 166.2° | 142.8° |
| N9 | C1' | C2' | O4' | 121.4° | 118.8° |
| N9 | C1' | C2' | H1' | 116.5° | 122.3° |
| N9 | C1' | C2' | H2' | 68.3° | 98.4° |
| N9 | C1' | O4' | C4' | 154.4° | 159.3° |
| N9 | C1' | O4' | H1' | 116.5° | 122.3° |
| C4 | N9 | C8 | N7 | 0.4° | 0.0° |
| C4 | N9 | C8 | H8 | 179.6° | 180.0° |
| N9 | C4 | C5 | N7 | 0.0° | 0.0° |
| N9 | C4 | C5 | N3 | 179.9° | 180.0° |
| N9 | C4 | C5 | C6 | 179.3° | 180.0° |
| N9 | C4 | N3 | C2 | 179.8° | 180.0° |
| C4 | N9 | C1' | C2' | 116.2° | 85.0° |
| C4 | N9 | C1' | O4' | 127.5° | 159.7° |
| C4 | N9 | C1' | H1' | 5.4° | 37.4° |
| C8 | N7 | C5 | C4 | 0.2° | 0.0° |
| C8 | N7 | C5 | C6 | 179.4° | 180.0° |
| H8 | C8 | N7 | C5 | 179.6° | 180.0° |
| N7 | C5 | C4 | C6 | 179.3° | 180.0° |
| N7 | C5 | C4 | N3 | 179.9° | 180.0° |
| N7 | C5 | C6 | N1 | 179.8° | 179.9° |
| N7 | C5 | C6 | N6 | 1.0° | 0.0° |
| C5 | C4 | N3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | N1 | 1.1° | 0.0° |
| C4 | C5 | C6 | N6 | 179.8° | 180.0° |
| C6 | C5 | C4 | N3 | 0.6° | 0.0° |
| C5 | C6 | N1 | C2 | 1.1° | 0.0° |
| C5 | C6 | N1 | N6 | 178.9° | 180.0° |
| C5 | C6 | N1 | C10 | 179.5° | 180.0° |
| C5 | C6 | N6 | C11 | 179.4° | 180.0° |
| C4 | N3 | C2 | N1 | 0.0° | 0.0° |
| C4 | N3 | C2 | H2 | 180.0° | 179.9° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.6° | 0.0° |
| N3 | C2 | N1 | C10 | 179.7° | 180.0° |
| C2 | N1 | C6 | C10 | 179.4° | 180.0° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| C2 | N1 | C10 | C11 | 179.5° | 180.0° |
| C2 | N1 | C10 | H10 | 0.4° | 0.0° |
| H2 | C2 | N1 | C6 | 179.4° | 180.0° |
| H2 | C2 | N1 | C10 | 0.2° | 0.0° |
| C6 | N1 | C10 | C11 | 0.3° | 0.0° |
| C6 | N1 | C10 | H10 | 179.7° | 180.0° |
| N1 | C6 | N6 | C11 | 0.6° | 0.0° |
| C10 | N1 | C6 | N6 | 0.6° | 0.0° |
| N1 | C10 | C11 | H10 | 180.0° | 180.0° |
| N1 | C10 | C11 | N6 | 0.1° | 0.0° |
| N1 | C10 | C11 | H11 | 179.9° | 180.0° |
| C6 | N6 | C11 | C10 | 0.4° | 0.0° |
| C6 | N6 | C11 | H11 | 179.6° | 179.9° |
| C10 | C11 | N6 | H11 | 180.0° | 179.9° |
| H10 | C10 | C11 | N6 | 180.0° | 180.0° |
| H10 | C10 | C11 | H11 | 0.1° | 0.1° |
| C3' | C2' | C1' | H2' | 125.5° | 118.8° |
| C2' | C3' | C4' | C5' | 99.0° | 142.8° |
| C2' | C3' | C4' | O3' | 124.6° | 118.6° |
| C2' | C3' | C4' | H3' | 122.5° | 118.7° |
| C2' | C3' | C4' | O4' | 21.4° | 24.0° |
| C2' | C3' | C4' | H4' | 140.5° | 94.9° |
| C3' | C2' | C1' | O4' | 44.8° | 24.0° |
| C3' | C2' | C1' | H1' | 77.3° | 94.9° |
| C2' | C3' | O3' | H3' | 121.9° | 122.7° |
| C2' | C3' | O3' | HO3' | 132.0° | 61.4° |
| C1' | C2' | C3' | C4' | 39.5° | 0.0° |
| C2' | C1' | O4' | C4' | 32.5° | 40.5° |
| C2' | C1' | O4' | H1' | 121.6° | 118.9° |
| C1' | C2' | C3' | O3' | 87.1° | 118.7° |
| C1' | C2' | C3' | H3' | 159.8° | 118.7° |
| H2' | C2' | C3' | C4' | 161.1° | 118.7° |
| H2' | C2' | C1' | O4' | 170.3° | 142.8° |
| H2' | C2' | C1' | H1' | 48.2° | 23.9° |
| H2' | C2' | C3' | O3' | 34.5° | 0.0° |
| H2' | C2' | C3' | H3' | 78.6° | 122.7° |
| C4' | C5' | H5' | H5'A | 119.4° | 120.0° |
| C5' | C4' | C3' | O4' | 120.4° | 118.9° |
| C5' | C4' | C3' | H4' | 120.5° | 122.3° |
| C5' | C4' | O4' | H4' | 120.9° | 122.2° |
| C5' | C4' | O4' | C1' | 121.7° | 159.3° |
| C5' | C4' | C3' | O3' | 136.4° | 98.5° |
| C5' | C4' | C3' | H3' | 23.5° | 24.2° |
| H5' | C5' | C4' | C3' | 38.5° | 61.9° |
| H5' | C5' | C4' | O4' | 77.9° | 53.6° |
| H5' | C5' | C4' | H4' | 162.7° | 175.8° |
| H5'A | C5' | C4' | C3' | 82.1° | 58.2° |
| H5'A | C5' | C4' | O4' | 161.5° | 173.6° |
| H5'A | C5' | C4' | H4' | 42.1° | 64.2° |
| C3' | C4' | O4' | H4' | 124.3° | 118.9° |
| C3' | C4' | O4' | C1' | 6.9° | 40.5° |
| C4' | C3' | O3' | H3' | 119.5° | 122.7° |
| C4' | C3' | O3' | HO3' | 109.3° | 176.1° |
| C4' | O4' | C1' | H1' | 89.1° | 78.4° |
| O4' | C4' | C3' | O3' | 103.2° | 142.6° |
| O4' | C4' | C3' | H3' | 143.9° | 94.7° |
| H4' | C4' | O4' | C1' | 117.4° | 78.4° |
| H4' | C4' | C3' | O3' | 15.9° | 23.7° |
| H4' | C4' | C3' | H3' | 96.9° | 146.4° |
| H3' | C3' | O3' | HO3' | 10.2° | 61.2° |
