TAF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | sing | 1.61Å | 1.51Å | |
| P | OP2 | sing | 1.61Å | 1.47Å | |
| P | OP3 | doub | 1.48Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| OP1 | HOP1 | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| N1 | C1' | sing | 1.47Å | 1.49Å | |
| C6 | C5 | doub | 1.35Å | 1.34Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C2 | O2 | doub | 1.22Å | 1.21Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| N3 | C4 | sing | 1.35Å | 1.37Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.42Å | 1.44Å | |
| C5 | C5M | sing | 1.51Å | 1.50Å | |
| C5M | H71 | sing | 1.09Å | 1.12Å | |
| C5M | H72 | sing | 1.09Å | 1.12Å | |
| C5M | H73 | sing | 1.09Å | 1.11Å | |
| F2' | C2' | sing | 1.40Å | 1.35Å | |
| C2' | C1' | sing | 1.54Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.50Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.12Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.54Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO'3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 121.3° | 109.4° |
| OP1 | P | OP3 | 105.2° | 109.5° |
| OP1 | P | O5' | 110.2° | 109.5° |
| P | OP1 | HOP1 | 121.3° | 106.8° |
| OP2 | P | OP3 | 109.9° | 109.5° |
| OP2 | P | O5' | 105.3° | 109.5° |
| P | OP2 | HOP2 | 121.3° | 106.9° |
| OP3 | P | O5' | 103.6° | 109.5° |
| P | O5' | C5' | 116.9° | 106.8° |
| O5' | C5' | C4' | 106.6° | 109.5° |
| O5' | C5' | H5' | 113.3° | 109.5° |
| O5' | C5' | H5'' | 113.3° | 109.5° |
| C6 | N1 | C2 | 120.7° | 120.6° |
| C6 | N1 | C1' | 122.7° | 119.7° |
| N1 | C6 | C5 | 124.1° | 119.7° |
| N1 | C6 | H6 | 119.5° | 120.2° |
| C2 | N1 | C1' | 116.5° | 119.7° |
| N1 | C2 | O2 | 123.5° | 119.5° |
| N1 | C2 | N3 | 114.5° | 120.9° |
| N1 | C1' | C2' | 121.4° | 110.4° |
| N1 | C1' | O4' | 101.5° | 110.3° |
| N1 | C1' | H1' | 106.4° | 110.3° |
| C5 | C6 | H6 | 116.4° | 120.2° |
| C6 | C5 | C4 | 117.4° | 119.1° |
| C6 | C5 | C5M | 124.6° | 120.4° |
| O2 | C2 | N3 | 122.0° | 119.5° |
| C2 | N3 | C4 | 127.8° | 120.2° |
| C2 | N3 | H3 | 115.8° | 120.0° |
| C4 | N3 | H3 | 116.4° | 119.8° |
| N3 | C4 | O4 | 118.9° | 120.3° |
| N3 | C4 | C5 | 115.3° | 119.4° |
| O4 | C4 | C5 | 125.7° | 120.3° |
| C4 | C5 | C5M | 117.9° | 120.4° |
| C5 | C5M | H71 | 124.6° | 109.5° |
| C5 | C5M | H72 | 106.8° | 109.5° |
| C5 | C5M | H73 | 106.9° | 109.4° |
| H71 | C5M | H72 | 106.8° | 109.4° |
| H71 | C5M | H73 | 106.9° | 109.5° |
| H72 | C5M | H73 | 102.8° | 109.5° |
| F2' | C2' | C1' | 107.8° | 110.6° |
| F2' | C2' | C3' | 111.7° | 110.5° |
| F2' | C2' | H2' | 107.7° | 110.4° |
| C1' | C2' | C3' | 104.6° | 103.9° |
| C1' | C2' | H2' | 114.4° | 110.7° |
| C2' | C1' | O4' | 106.7° | 104.9° |
| C2' | C1' | H1' | 101.1° | 110.3° |
| C3' | C2' | H2' | 110.7° | 110.5° |
| C2' | C3' | C4' | 105.9° | 104.1° |
| C2' | C3' | O3' | 114.2° | 110.6° |
| C2' | C3' | H3' | 108.0° | 110.6° |
| C4' | C5' | H5' | 113.3° | 109.5° |
| C4' | C5' | H5'' | 113.3° | 109.5° |
| C5' | C4' | O4' | 107.2° | 110.4° |
| C5' | C4' | C3' | 116.4° | 110.5° |
| C5' | C4' | H4' | 105.2° | 110.3° |
| H5' | C5' | H5'' | 97.2° | 109.5° |
| O4' | C4' | C3' | 105.6° | 104.8° |
| O4' | C4' | H4' | 116.0° | 110.4° |
| C4' | O4' | C1' | 101.0° | 105.2° |
| C3' | C4' | H4' | 106.8° | 110.3° |
| C4' | C3' | O3' | 107.0° | 110.6° |
| C4' | C3' | H3' | 115.1° | 110.5° |
| O4' | C1' | H1' | 121.2° | 110.4° |
| O3' | C3' | H3' | 106.9° | 110.4° |
| C3' | O3' | HO'3 | 114.2° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 123.2° | 120.0° |
| OP1 | P | OP2 | O5' | 125.8° | 120.0° |
| OP1 | P | OP3 | O5' | 115.7° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | O5' | C5' | 56.6° | 180.0° |
| OP2 | P | OP3 | O5' | 112.1° | 120.0° |
| OP2 | P | OP1 | HOP1 | 180.0° | 60.0° |
| OP2 | P | O5' | C5' | 171.0° | 60.1° |
| OP3 | P | OP1 | HOP1 | 54.6° | 60.0° |
| OP3 | P | OP2 | HOP2 | 56.8° | 180.0° |
| OP3 | P | O5' | C5' | 55.6° | 60.0° |
| O5' | P | OP1 | HOP1 | 56.5° | 180.0° |
| O5' | P | OP2 | HOP2 | 54.2° | 59.9° |
| P | O5' | C5' | C4' | 169.5° | 180.0° |
| P | O5' | C5' | H5' | 65.2° | 60.0° |
| P | O5' | C5' | H5'' | 44.3° | 60.0° |
| O5' | C5' | C4' | H5' | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'' | 125.3° | 120.0° |
| O5' | C5' | H5' | H5'' | 119.2° | 120.0° |
| O5' | C5' | C4' | O4' | 64.5° | 61.4° |
| O5' | C5' | C4' | C3' | 53.3° | 176.9° |
| O5' | C5' | C4' | H4' | 171.4° | 60.8° |
| C6 | N1 | C2 | C1' | 176.8° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C6 | N1 | C2 | O2 | 179.4° | 179.9° |
| C6 | N1 | C2 | N3 | 2.6° | 0.0° |
| N1 | C6 | C5 | C4 | 2.1° | 0.3° |
| N1 | C6 | C5 | C5M | 180.0° | 180.0° |
| C6 | N1 | C1' | C2' | 68.5° | 121.5° |
| C6 | N1 | C1' | O4' | 49.4° | 123.0° |
| C6 | N1 | C1' | H1' | 176.9° | 0.7° |
| C2 | N1 | C6 | C5 | 1.5° | 0.1° |
| C2 | N1 | C6 | H6 | 178.6° | 179.9° |
| N1 | C2 | O2 | N3 | 177.8° | 179.9° |
| N1 | C2 | N3 | C4 | 0.2° | 0.1° |
| N1 | C2 | N3 | H3 | 179.8° | 180.0° |
| C2 | N1 | C1' | C2' | 108.2° | 58.5° |
| C2 | N1 | C1' | O4' | 133.9° | 57.0° |
| C2 | N1 | C1' | H1' | 6.3° | 179.3° |
| C1' | N1 | C6 | C5 | 178.1° | 179.9° |
| C1' | N1 | C6 | H6 | 2.0° | 0.1° |
| C1' | N1 | C2 | O2 | 2.6° | 0.1° |
| C1' | N1 | C2 | N3 | 179.4° | 180.0° |
| N1 | C1' | C2' | F2' | 25.0° | 24.2° |
| N1 | C1' | C2' | O4' | 115.3° | 118.9° |
| N1 | C1' | C2' | H1' | 117.2° | 122.2° |
| N1 | C1' | C2' | C3' | 144.1° | 142.8° |
| N1 | C1' | C2' | H2' | 94.7° | 98.6° |
| N1 | C1' | O4' | C4' | 169.2° | 159.4° |
| N1 | C1' | O4' | H1' | 117.3° | 122.2° |
| C6 | C5 | C4 | N3 | 4.2° | 0.5° |
| C6 | C5 | C4 | O4 | 178.2° | 179.9° |
| C6 | C5 | C4 | C5M | 178.0° | 179.6° |
| C6 | C5 | C5M | H71 | 180.0° | 179.9° |
| C6 | C5 | C5M | H72 | 54.8° | 59.9° |
| C6 | C5 | C5M | H73 | 54.7° | 60.1° |
| H6 | C6 | C5 | C4 | 177.8° | 179.8° |
| H6 | C6 | C5 | C5M | 0.0° | 0.2° |
| O2 | C2 | N3 | C4 | 178.2° | 179.8° |
| O2 | C2 | N3 | H3 | 1.7° | 0.1° |
| C2 | N3 | C4 | H3 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 179.0° | 180.0° |
| C2 | N3 | C4 | C5 | 3.2° | 0.4° |
| N3 | C4 | O4 | C5 | 177.5° | 179.6° |
| N3 | C4 | C5 | C5M | 177.8° | 179.9° |
| H3 | N3 | C4 | O4 | 0.9° | 0.2° |
| H3 | N3 | C4 | C5 | 176.8° | 179.8° |
| O4 | C4 | C5 | C5M | 0.2° | 0.3° |
| C4 | C5 | C5M | H71 | 2.1° | 0.3° |
| C4 | C5 | C5M | H72 | 123.0° | 119.7° |
| C4 | C5 | C5M | H73 | 127.5° | 120.3° |
| C5 | C5M | H71 | H72 | 125.2° | 120.1° |
| C5 | C5M | H71 | H73 | 125.3° | 120.0° |
| C5 | C5M | H72 | H73 | 112.3° | 120.0° |
| H71 | C5M | H72 | H73 | 112.3° | 120.0° |
| F2' | C2' | C1' | C3' | 119.0° | 118.6° |
| F2' | C2' | C1' | H2' | 119.7° | 122.8° |
| F2' | C2' | C3' | H2' | 120.0° | 122.5° |
| F2' | C2' | C3' | C4' | 109.5° | 118.8° |
| F2' | C2' | C1' | O4' | 90.2° | 94.7° |
| F2' | C2' | C1' | H1' | 142.2° | 146.4° |
| F2' | C2' | C3' | O3' | 133.1° | 122.5° |
| F2' | C2' | C3' | H3' | 14.3° | 0.1° |
| C1' | C2' | C3' | H2' | 123.7° | 118.8° |
| C2' | C1' | O4' | C4' | 41.2° | 40.5° |
| C1' | C2' | C3' | C4' | 6.8° | 0.1° |
| C2' | C1' | O4' | H1' | 114.6° | 118.9° |
| C1' | C2' | C3' | O3' | 110.6° | 118.9° |
| C1' | C2' | C3' | H3' | 130.6° | 118.5° |
| C2' | C3' | C4' | C5' | 138.0° | 143.0° |
| C2' | C3' | C4' | O4' | 19.3° | 24.1° |
| C2' | C3' | C4' | O3' | 122.2° | 118.7° |
| C2' | C3' | C4' | H3' | 119.2° | 118.7° |
| C2' | C3' | C4' | H4' | 104.8° | 94.8° |
| C3' | C2' | C1' | O4' | 28.8° | 23.9° |
| C3' | C2' | C1' | H1' | 98.8° | 95.0° |
| C2' | C3' | O3' | H3' | 119.4° | 122.7° |
| C2' | C3' | O3' | HO'3 | 180.0° | 65.2° |
| H2' | C2' | C3' | C4' | 130.5° | 118.7° |
| H2' | C2' | C1' | O4' | 150.1° | 142.5° |
| H2' | C2' | C1' | H1' | 22.5° | 23.6° |
| H2' | C2' | C3' | O3' | 13.1° | 0.0° |
| H2' | C2' | C3' | H3' | 105.7° | 122.6° |
| C4' | C5' | H5' | H5'' | 119.2° | 120.0° |
| C5' | C4' | O4' | C3' | 124.7° | 119.0° |
| C5' | C4' | O4' | H4' | 117.2° | 122.2° |
| C5' | C4' | C3' | H4' | 117.2° | 122.3° |
| C5' | C4' | O4' | C1' | 159.8° | 159.5° |
| C5' | C4' | C3' | O3' | 99.8° | 98.3° |
| C5' | C4' | C3' | H3' | 18.8° | 24.3° |
| H5' | C5' | C4' | O4' | 170.2° | 178.5° |
| H5' | C5' | C4' | C3' | 72.0° | 63.1° |
| H5' | C5' | C4' | H4' | 46.1° | 59.2° |
| H5'' | C5' | C4' | O4' | 60.7° | 58.5° |
| H5'' | C5' | C4' | C3' | 178.6° | 56.9° |
| H5'' | C5' | C4' | H4' | 63.3° | 179.2° |
| O4' | C4' | C3' | H4' | 124.1° | 118.8° |
| C4' | O4' | C1' | H1' | 73.5° | 78.4° |
| O4' | C4' | C3' | O3' | 141.5° | 142.8° |
| O4' | C4' | C3' | H3' | 99.9° | 94.7° |
| C3' | C4' | O4' | C1' | 35.1° | 40.5° |
| C4' | C3' | O3' | H3' | 123.8° | 122.6° |
| C4' | C3' | O3' | HO'3 | 63.2° | 179.9° |
| H4' | C4' | O4' | C1' | 83.0° | 78.3° |
| H4' | C4' | C3' | O3' | 17.4° | 24.0° |
| H4' | C4' | C3' | H3' | 136.0° | 146.5° |
| H3' | C3' | O3' | HO'3 | 60.7° | 57.5° |
