AF2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C2' | sing | 1.40Å | 1.39Å | |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.42Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.32Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| C1' | N9 | sing | 1.47Å | 1.49Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.55Å | 1.54Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | P | sing | 1.61Å | 1.62Å | |
| H2 | C2 | sing | 1.08Å | 1.08Å | |
| H5' | C5' | sing | 1.09Å | 1.10Å | |
| H1' | C1' | sing | 1.09Å | 1.10Å | |
| H4' | C4' | sing | 1.09Å | 1.10Å | |
| HN6 | N6 | sing | 0.97Å | 1.00Å | |
| P | OP3 | sing | 1.61Å | 1.72Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C2' | C1' | 108.2° | 110.5° |
| F | C2' | H2' | 106.2° | 110.4° |
| F | C2' | C3' | 112.5° | 110.5° |
| OP1 | P | OP2 | 118.4° | 109.5° |
| OP1 | P | O5' | 107.7° | 109.5° |
| OP1 | P | OP3 | 101.9° | 109.4° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP2 | P | O5' | 108.5° | 109.5° |
| OP2 | P | OP3 | 101.2° | 109.5° |
| C6 | N1 | C2 | 117.9° | 121.2° |
| N1 | C6 | C5 | 121.1° | 118.5° |
| N1 | C6 | N6 | 113.8° | 120.8° |
| N1 | C2 | N3 | 128.0° | 122.5° |
| N1 | C2 | H2 | 116.0° | 118.8° |
| C2 | N3 | C4 | 112.2° | 120.6° |
| N3 | C2 | H2 | 116.0° | 118.7° |
| N3 | C4 | N9 | 126.7° | 134.9° |
| N3 | C4 | C5 | 126.9° | 119.1° |
| N9 | C4 | C5 | 106.3° | 106.0° |
| C4 | N9 | C8 | 105.4° | 107.5° |
| C4 | N9 | C1' | 125.2° | 126.3° |
| C4 | C5 | N7 | 110.9° | 107.1° |
| C4 | C5 | C6 | 113.9° | 118.2° |
| N7 | C5 | C6 | 135.2° | 134.7° |
| C5 | N7 | C8 | 103.0° | 109.5° |
| C5 | C6 | N6 | 125.1° | 120.8° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| HN6A | N6 | HN6 | 109.5° | 120.0° |
| N7 | C8 | H8 | 122.8° | 125.0° |
| N7 | C8 | N9 | 114.3° | 110.0° |
| H8 | C8 | N9 | 122.8° | 125.0° |
| C8 | N9 | C1' | 129.4° | 126.2° |
| N9 | C1' | C2' | 111.2° | 109.9° |
| N9 | C1' | O4' | 110.3° | 109.9° |
| N9 | C1' | H1' | 106.8° | 109.9° |
| C1' | C2' | H2' | 116.0° | 110.5° |
| C1' | C2' | C3' | 102.1° | 104.2° |
| C2' | C1' | O4' | 106.5° | 107.3° |
| C2' | C1' | H1' | 110.6° | 109.9° |
| H2' | C2' | C3' | 111.9° | 110.5° |
| C2' | C3' | H3' | 114.9° | 110.9° |
| C2' | C3' | O3' | 113.7° | 110.9° |
| C2' | C3' | C4' | 98.9° | 102.1° |
| H3' | C3' | O3' | 101.4° | 110.8° |
| H3' | C3' | C4' | 115.7° | 110.9° |
| C3' | O3' | HO3' | 109.5° | 113.9° |
| O3' | C3' | C4' | 112.9° | 110.9° |
| C3' | C4' | C5' | 113.9° | 110.6° |
| C3' | C4' | O4' | 106.7° | 103.5° |
| C3' | C4' | H4' | 109.2° | 110.6° |
| C5' | C4' | O4' | 111.9° | 110.6° |
| C4' | C5' | O5' | 112.7° | 109.5° |
| C4' | C5' | H5'A | 108.4° | 109.5° |
| C4' | C5' | H5' | 108.4° | 109.4° |
| C5' | C4' | H4' | 103.7° | 110.6° |
| C1' | O4' | C4' | 109.0° | 107.0° |
| O4' | C1' | H1' | 111.5° | 110.0° |
| O4' | C4' | H4' | 111.3° | 110.8° |
| O5' | C5' | H5'A | 108.4° | 109.5° |
| C5' | O5' | P | 121.3° | 123.0° |
| O5' | C5' | H5' | 108.4° | 109.5° |
| H5'A | C5' | H5' | 110.5° | 109.4° |
| O5' | P | OP3 | 119.7° | 109.4° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C2' | C1' | N9 | 150.7° | 119.9° |
| F | C2' | C1' | H2' | 119.2° | 122.6° |
| F | C2' | C1' | C3' | 118.9° | 118.7° |
| F | C2' | H2' | C3' | 123.2° | 122.5° |
| F | C2' | C3' | H3' | 159.3° | 144.0° |
| F | C2' | C3' | O3' | 43.0° | 20.4° |
| F | C2' | C3' | C4' | 76.9° | 97.8° |
| F | C2' | C1' | O4' | 89.1° | 120.7° |
| F | C2' | C1' | H1' | 32.2° | 1.1° |
| OP1 | P | OP2 | O5' | 122.9° | 120.1° |
| OP1 | P | OP2 | OP3 | 110.2° | 119.9° |
| OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| OP1 | P | O5' | C5' | 172.8° | 55.0° |
| OP1 | P | O5' | OP3 | 115.6° | 120.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 60.0° |
| OP2 | P | O5' | C5' | 43.6° | 65.0° |
| OP2 | P | O5' | OP3 | 115.2° | 120.0° |
| OP2 | P | OP3 | HOP3 | 122.4° | 59.9° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C6 | C5 | C4 | 0.7° | 0.0° |
| N1 | C6 | C5 | N7 | 179.6° | 180.0° |
| N1 | C6 | C5 | N6 | 180.0° | 180.0° |
| N1 | C6 | N6 | HN6A | 0.0° | 0.0° |
| C6 | N1 | C2 | H2 | 179.9° | 180.0° |
| N1 | C6 | N6 | HN6 | 120.0° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| C2 | N1 | C6 | N6 | 179.4° | 179.9° |
| C2 | N3 | C4 | N9 | 179.7° | 179.9° |
| C2 | N3 | C4 | C5 | 0.2° | 0.1° |
| N3 | C4 | N9 | C5 | 179.9° | 180.0° |
| N3 | C4 | C5 | N7 | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 0.6° | 0.1° |
| N3 | C4 | N9 | C8 | 179.4° | 180.0° |
| N3 | C4 | N9 | C1' | 2.9° | 0.0° |
| C4 | N3 | C2 | H2 | 180.0° | 180.0° |
| N9 | C4 | C5 | N7 | 0.4° | 0.0° |
| N9 | C4 | C5 | C6 | 179.3° | 179.9° |
| C4 | N9 | C8 | N7 | 0.9° | 0.0° |
| C4 | N9 | C8 | H8 | 179.1° | 180.0° |
| C4 | N9 | C8 | C1' | 177.7° | 179.9° |
| C4 | N9 | C1' | C2' | 78.3° | 84.9° |
| C4 | N9 | C1' | O4' | 163.8° | 157.2° |
| C4 | N9 | C1' | H1' | 42.4° | 36.1° |
| C4 | C5 | N7 | C6 | 179.7° | 179.9° |
| C4 | C5 | C6 | N6 | 179.2° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | C8 | 0.7° | 0.0° |
| C5 | C4 | N9 | C1' | 177.1° | 179.9° |
| N7 | C5 | C6 | N6 | 0.4° | 0.1° |
| C5 | N7 | C8 | H8 | 179.4° | 180.0° |
| C5 | N7 | C8 | N9 | 0.6° | 0.0° |
| C5 | C6 | N6 | HN6A | 180.0° | 180.0° |
| C6 | C5 | N7 | C8 | 179.8° | 179.9° |
| C5 | C6 | N6 | HN6 | 60.0° | 0.0° |
| C6 | N6 | HN6A | HN6 | 120.0° | 180.0° |
| N7 | C8 | H8 | N9 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 176.8° | 179.9° |
| H8 | C8 | N9 | C1' | 3.2° | 0.0° |
| C8 | N9 | C1' | C2' | 104.5° | 95.0° |
| C8 | N9 | C1' | O4' | 13.5° | 22.9° |
| C8 | N9 | C1' | H1' | 134.8° | 144.0° |
| N9 | C1' | C2' | O4' | 120.2° | 119.4° |
| N9 | C1' | C2' | H1' | 118.5° | 121.0° |
| N9 | C1' | C2' | H2' | 31.6° | 2.7° |
| N9 | C1' | C2' | C3' | 90.4° | 121.5° |
| N9 | C1' | O4' | H1' | 118.5° | 121.0° |
| N9 | C1' | O4' | C4' | 114.0° | 146.0° |
| C1' | C2' | H2' | C3' | 116.6° | 114.8° |
| C1' | C2' | C3' | H3' | 84.9° | 97.3° |
| C1' | C2' | C3' | O3' | 158.8° | 139.1° |
| C1' | C2' | C3' | C4' | 38.8° | 20.9° |
| C2' | C1' | O4' | H1' | 120.7° | 119.5° |
| C2' | C1' | O4' | C4' | 6.7° | 26.5° |
| HOP2 | OP2 | P | O5' | 122.9° | 59.9° |
| HOP2 | OP2 | P | OP3 | 110.2° | 60.1° |
| H2' | C2' | C3' | H3' | 39.8° | 21.4° |
| H2' | C2' | C3' | O3' | 76.5° | 102.1° |
| H2' | C2' | C3' | C4' | 163.5° | 139.7° |
| H2' | C2' | C1' | O4' | 151.7° | 116.7° |
| H2' | C2' | C1' | H1' | 86.9° | 123.7° |
| C2' | C3' | H3' | O3' | 123.1° | 123.7° |
| C2' | C3' | H3' | C4' | 114.4° | 112.7° |
| C2' | C3' | O3' | C4' | 111.6° | 112.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | C5' | 160.7° | 155.5° |
| C3' | C2' | C1' | O4' | 29.8° | 2.0° |
| C2' | C3' | C4' | O4' | 36.6° | 37.0° |
| C3' | C2' | C1' | H1' | 151.1° | 117.5° |
| C2' | C3' | C4' | H4' | 83.9° | 81.6° |
| H3' | C3' | O3' | C4' | 124.4° | 123.6° |
| H3' | C3' | O3' | HO3' | 56.1° | 62.2° |
| H3' | C3' | C4' | C5' | 37.4° | 37.3° |
| H3' | C3' | C4' | O4' | 86.7° | 81.2° |
| H3' | C3' | C4' | H4' | 152.9° | 160.2° |
| O3' | C3' | C4' | C5' | 78.8° | 86.3° |
| O3' | C3' | C4' | O4' | 157.1° | 155.3° |
| O3' | C3' | C4' | H4' | 36.7° | 36.6° |
| HO3' | O3' | C3' | C4' | 68.3° | 174.2° |
| C3' | C4' | C5' | O4' | 121.2° | 114.0° |
| C3' | C4' | C5' | H4' | 118.6° | 122.9° |
| C3' | C4' | O4' | C1' | 19.4° | 40.1° |
| C3' | C4' | O4' | H4' | 119.1° | 118.5° |
| C3' | C4' | C5' | O5' | 62.4° | 175.0° |
| C3' | C4' | C5' | H5'A | 177.6° | 64.9° |
| C3' | C4' | C5' | H5' | 57.6° | 55.0° |
| C5' | C4' | O4' | C1' | 144.7° | 158.6° |
| C5' | C4' | O4' | H4' | 115.6° | 122.9° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | H5'A | H5' | 118.6° | 119.9° |
| C4' | C5' | O5' | P | 177.3° | 180.0° |
| C1' | O4' | C4' | H4' | 99.7° | 78.5° |
| O4' | C4' | C5' | O5' | 58.9° | 71.0° |
| O4' | C4' | C5' | H5'A | 61.1° | 49.1° |
| O4' | C4' | C5' | H5' | 178.9° | 169.0° |
| C4' | O4' | C1' | H1' | 127.5° | 93.0° |
| O5' | C5' | H5'A | H5' | 118.7° | 120.0° |
| O5' | C5' | C4' | H4' | 179.0° | 52.1° |
| C5' | O5' | P | OP3 | 71.6° | 175.0° |
| H5'A | C5' | O5' | P | 57.3° | 60.0° |
| H5'A | C5' | C4' | H4' | 59.0° | 172.1° |
| P | O5' | C5' | H5' | 62.8° | 60.0° |
| O5' | P | OP3 | HOP3 | 118.6° | 180.0° |
| H5' | C5' | C4' | H4' | 61.0° | 67.9° |
