FDG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O5' | sing | 1.61Å | 1.60Å | |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.72Å | |
| N1 | C2 | sing | 1.36Å | 1.45Å | |
| N1 | C6 | sing | 1.35Å | 1.44Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.37Å | 1.35Å | |
| C2 | N3 | doub | 1.32Å | 1.34Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å | |
| C4 | C5 | doub | 1.39Å | 1.42Å | |
| C4 | N9 | sing | 1.38Å | 1.32Å | |
| C5 | C6 | sing | 1.40Å | 1.40Å | |
| C5 | N7 | sing | 1.40Å | 1.37Å | |
| C6 | O6 | doub | 1.22Å | 1.26Å | |
| N7 | C8 | sing | 1.35Å | 1.37Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C8 | O8 | doub | 1.22Å | 1.25Å | |
| C8 | N9 | sing | 1.35Å | 1.34Å | |
| N9 | C1' | sing | 1.47Å | 1.46Å | |
| C1' | C2' | sing | 1.54Å | 1.51Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | F2' | sing | 1.40Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C3' | C4' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| P | OP3 | sing | 1.61Å | 1.48Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5' | P | OP1 | 111.5° | 109.5° |
| O5' | P | OP2 | 82.1° | 109.5° |
| P | O5' | C5' | 120.5° | 123.0° |
| O5' | P | OP3 | 110.3° | 109.5° |
| OP1 | P | OP2 | 164.4° | 109.5° |
| OP1 | P | OP3 | 119.7° | 109.5° |
| OP2 | P | OP3 | 45.7° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| C2 | N1 | C6 | 119.1° | 120.1° |
| C2 | N1 | HN1 | 120.4° | 120.0° |
| N1 | C2 | N2 | 121.7° | 119.2° |
| N1 | C2 | N3 | 118.4° | 121.7° |
| C6 | N1 | HN1 | 120.5° | 119.9° |
| N1 | C6 | C5 | 119.5° | 118.5° |
| N1 | C6 | O6 | 120.2° | 120.8° |
| N2 | C2 | N3 | 120.0° | 119.1° |
| C2 | N2 | HN2 | 120.0° | 120.0° |
| C2 | N2 | HN2A | 120.0° | 120.0° |
| C2 | N3 | C4 | 123.2° | 121.1° |
| HN2 | N2 | HN2A | 120.0° | 120.0° |
| N3 | C4 | C5 | 122.3° | 119.5° |
| N3 | C4 | N9 | 129.7° | 133.5° |
| C5 | C4 | N9 | 108.0° | 106.9° |
| C4 | C5 | C6 | 117.6° | 119.0° |
| C4 | C5 | N7 | 107.3° | 106.9° |
| C4 | N9 | C8 | 108.2° | 108.8° |
| C4 | N9 | C1' | 122.1° | 125.6° |
| C6 | C5 | N7 | 135.1° | 134.0° |
| C5 | C6 | O6 | 120.3° | 120.7° |
| C5 | N7 | C8 | 105.3° | 107.9° |
| C5 | N7 | HN7 | 127.3° | 126.1° |
| C8 | N7 | HN7 | 127.3° | 126.0° |
| N7 | C8 | O8 | 123.6° | 125.3° |
| N7 | C8 | N9 | 111.2° | 109.5° |
| O8 | C8 | N9 | 125.2° | 125.2° |
| C8 | N9 | C1' | 129.7° | 125.6° |
| N9 | C1' | C2' | 123.0° | 109.9° |
| N9 | C1' | O4' | 104.6° | 109.9° |
| N9 | C1' | H1' | 101.0° | 109.9° |
| C2' | C1' | O4' | 97.5° | 107.3° |
| C2' | C1' | H1' | 107.7° | 109.9° |
| C1' | C2' | F2' | 105.5° | 110.5° |
| C1' | C2' | C3' | 101.2° | 104.2° |
| C1' | C2' | H2' | 118.4° | 110.5° |
| O4' | C1' | H1' | 125.2° | 110.0° |
| C1' | O4' | C4' | 107.0° | 107.0° |
| F2' | C2' | C3' | 113.4° | 110.5° |
| F2' | C2' | H2' | 107.3° | 110.4° |
| C3' | C2' | H2' | 111.2° | 110.6° |
| C2' | C3' | O3' | 108.9° | 110.9° |
| C2' | C3' | C4' | 103.4° | 102.1° |
| C2' | C3' | H3' | 114.0° | 110.9° |
| O3' | C3' | C4' | 110.5° | 110.9° |
| O3' | C3' | H3' | 107.4° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 112.5° | 111.0° |
| C3' | C4' | O4' | 103.2° | 103.5° |
| C3' | C4' | C5' | 115.3° | 110.6° |
| C3' | C4' | H4' | 110.0° | 110.7° |
| O4' | C4' | C5' | 109.6° | 110.6° |
| O4' | C4' | H4' | 115.6° | 110.6° |
| C5' | C4' | H4' | 103.6° | 110.7° |
| C4' | C5' | O5' | 107.3° | 109.5° |
| C4' | C5' | H5' | 110.2° | 109.5° |
| C4' | C5' | H5'A | 110.2° | 109.5° |
| O5' | C5' | H5' | 110.2° | 109.5° |
| O5' | C5' | H5'A | 110.2° | 109.5° |
| H5' | C5' | H5'A | 108.8° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | P | OP1 | OP2 | 149.3° | 120.0° |
| O5' | P | OP1 | OP3 | 130.8° | 120.0° |
| O5' | P | OP2 | OP3 | 128.7° | 120.0° |
| P | O5' | C5' | C4' | 162.5° | 180.0° |
| P | O5' | C5' | H5' | 42.5° | 60.0° |
| P | O5' | C5' | H5'A | 77.5° | 60.0° |
| O5' | P | OP3 | HOP3 | 131.3° | 180.0° |
| O5' | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP2 | OP3 | 22.6° | 120.0° |
| OP1 | P | O5' | C5' | 101.7° | 55.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 60.0° |
| OP1 | P | OP2 | HOP2 | 28.7° | 180.0° |
| OP2 | P | O5' | C5' | 86.3° | 65.0° |
| OP2 | P | OP3 | HOP3 | 173.2° | 60.0° |
| C2 | N1 | C6 | HN1 | 180.0° | 179.6° |
| N1 | C2 | N2 | N3 | 179.8° | 179.9° |
| N1 | C2 | N2 | HN2 | 179.8° | 0.1° |
| N1 | C2 | N2 | HN2A | 0.2° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.1° |
| C2 | N1 | C6 | C5 | 0.1° | 0.1° |
| C2 | N1 | C6 | O6 | 179.5° | 180.0° |
| C6 | N1 | C2 | N2 | 179.8° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.1° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| N1 | C6 | C5 | O6 | 179.6° | 179.9° |
| N1 | C6 | C5 | N7 | 179.6° | 180.0° |
| HN1 | N1 | C2 | N2 | 0.2° | 0.4° |
| HN1 | N1 | C2 | N3 | 180.0° | 179.8° |
| HN1 | N1 | C6 | C5 | 179.9° | 179.7° |
| HN1 | N1 | C6 | O6 | 0.6° | 0.3° |
| C2 | N2 | HN2 | HN2A | 180.0° | 179.9° |
| N2 | C2 | N3 | C4 | 179.9° | 180.0° |
| N3 | C2 | N2 | HN2 | 0.0° | 180.0° |
| N3 | C2 | N2 | HN2A | 180.0° | 0.1° |
| C2 | N3 | C4 | C5 | 0.1° | 0.1° |
| C2 | N3 | C4 | N9 | 179.3° | 180.0° |
| N3 | C4 | C5 | N9 | 179.3° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | N7 | 179.6° | 180.0° |
| N3 | C4 | N9 | C8 | 179.4° | 180.0° |
| N3 | C4 | N9 | C1' | 0.6° | 0.0° |
| C4 | C5 | C6 | N7 | 179.4° | 179.9° |
| C4 | C5 | C6 | O6 | 179.4° | 180.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.1° |
| C4 | C5 | N7 | HN7 | 179.7° | 180.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | C1' | 178.7° | 180.0° |
| N9 | C4 | C5 | C6 | 179.3° | 180.0° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.1° |
| C4 | N9 | C8 | O8 | 179.4° | 180.0° |
| C4 | N9 | C8 | C1' | 178.7° | 179.9° |
| C4 | N9 | C1' | C2' | 126.5° | 115.0° |
| C4 | N9 | C1' | O4' | 124.4° | 127.2° |
| C4 | N9 | C1' | H1' | 6.8° | 6.0° |
| C6 | C5 | N7 | C8 | 179.1° | 180.0° |
| C6 | C5 | N7 | HN7 | 0.9° | 0.1° |
| N7 | C5 | C6 | O6 | 0.0° | 0.1° |
| C5 | N7 | C8 | HN7 | 180.0° | 179.9° |
| C5 | N7 | C8 | O8 | 179.2° | 180.0° |
| C5 | N7 | C8 | N9 | 0.2° | 0.1° |
| N7 | C8 | O8 | N9 | 179.4° | 180.0° |
| N7 | C8 | N9 | C1' | 178.8° | 180.0° |
| HN7 | N7 | C8 | O8 | 0.8° | 0.0° |
| HN7 | N7 | C8 | N9 | 179.7° | 180.0° |
| O8 | C8 | N9 | C1' | 0.7° | 0.0° |
| C8 | N9 | C1' | C2' | 55.0° | 65.1° |
| C8 | N9 | C1' | O4' | 54.2° | 52.8° |
| C8 | N9 | C1' | H1' | 174.7° | 174.0° |
| N9 | C1' | C2' | O4' | 112.8° | 119.4° |
| N9 | C1' | C2' | H1' | 116.5° | 121.0° |
| N9 | C1' | O4' | H1' | 115.1° | 121.1° |
| N9 | C1' | C2' | F2' | 42.9° | 2.8° |
| N9 | C1' | C2' | C3' | 161.2° | 121.5° |
| N9 | C1' | C2' | H2' | 77.1° | 119.7° |
| N9 | C1' | O4' | C4' | 178.1° | 145.9° |
| C2' | C1' | O4' | H1' | 117.9° | 119.5° |
| C1' | C2' | F2' | C3' | 109.8° | 114.8° |
| C1' | C2' | F2' | H2' | 127.1° | 122.5° |
| C1' | C2' | C3' | H2' | 126.6° | 118.8° |
| C1' | C2' | C3' | O3' | 87.4° | 139.1° |
| C1' | C2' | C3' | C4' | 30.2° | 20.9° |
| C1' | C2' | C3' | H3' | 152.7° | 97.3° |
| C2' | C1' | O4' | C4' | 51.1° | 26.5° |
| O4' | C1' | C2' | F2' | 69.9° | 116.7° |
| O4' | C1' | C2' | C3' | 48.4° | 2.0° |
| O4' | C1' | C2' | H2' | 170.1° | 120.9° |
| C1' | O4' | C4' | C3' | 32.2° | 40.1° |
| C1' | O4' | C4' | C5' | 155.5° | 158.6° |
| C1' | O4' | C4' | H4' | 87.9° | 78.5° |
| H1' | C1' | C2' | F2' | 159.4° | 123.8° |
| H1' | C1' | C2' | C3' | 82.3° | 117.6° |
| H1' | C1' | C2' | H2' | 39.4° | 1.3° |
| H1' | C1' | O4' | C4' | 66.8° | 93.0° |
| F2' | C2' | C3' | H2' | 120.9° | 122.5° |
| F2' | C2' | C3' | O3' | 160.2° | 102.2° |
| F2' | C2' | C3' | C4' | 82.3° | 139.6° |
| F2' | C2' | C3' | H3' | 40.3° | 21.3° |
| C2' | C3' | O3' | C4' | 113.0° | 112.7° |
| C2' | C3' | O3' | H3' | 123.9° | 123.6° |
| C2' | C3' | C4' | H3' | 123.5° | 118.2° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| C2' | C3' | C4' | O4' | 0.5° | 37.1° |
| C2' | C3' | C4' | C5' | 119.0° | 155.5° |
| C2' | C3' | C4' | H4' | 124.3° | 81.5° |
| H2' | C2' | C3' | O3' | 39.2° | 20.3° |
| H2' | C2' | C3' | C4' | 156.8° | 97.9° |
| H2' | C2' | C3' | H3' | 80.7° | 143.9° |
| O3' | C3' | C4' | H3' | 120.0° | 123.6° |
| O3' | C3' | C4' | O4' | 116.0° | 155.3° |
| O3' | C3' | C4' | C5' | 124.5° | 86.3° |
| O3' | C3' | C4' | H4' | 7.9° | 36.7° |
| C4' | C3' | O3' | HO3' | 67.0° | 174.1° |
| C3' | C4' | O4' | C5' | 123.4° | 118.5° |
| C3' | C4' | O4' | H4' | 120.1° | 118.5° |
| C3' | C4' | C5' | H4' | 120.2° | 123.0° |
| C3' | C4' | C5' | O5' | 169.3° | 175.0° |
| C3' | C4' | C5' | H5' | 70.8° | 55.1° |
| C3' | C4' | C5' | H5'A | 49.3° | 65.0° |
| H3' | C3' | O3' | HO3' | 56.1° | 62.2° |
| H3' | C3' | C4' | O4' | 124.0° | 81.2° |
| H3' | C3' | C4' | C5' | 4.5° | 37.3° |
| H3' | C3' | C4' | H4' | 112.1° | 160.3° |
| O4' | C4' | C5' | H4' | 123.9° | 123.0° |
| O4' | C4' | C5' | O5' | 53.4° | 70.9° |
| O4' | C4' | C5' | H5' | 173.3° | 169.1° |
| O4' | C4' | C5' | H5'A | 66.6° | 49.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 120.9° | 120.0° |
| H4' | C4' | C5' | O5' | 70.5° | 52.0° |
| H4' | C4' | C5' | H5' | 49.4° | 67.9° |
| H4' | C4' | C5' | H5'A | 169.5° | 172.0° |
| O5' | C5' | H5' | H5'A | 120.9° | 120.0° |
| C5' | O5' | P | OP3 | 122.8° | 175.0° |
| OP3 | P | OP2 | HOP2 | 51.3° | 60.0° |
