FDM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | sing | 1.37Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.34Å | 1.41Å | Aromatic |
| N1 | C1' | sing | 1.46Å | 1.44Å | |
| C6 | C5 | doub | 1.35Å | 1.33Å | Aromatic |
| C6 | HC61 | sing | 1.08Å | 1.10Å | |
| C2 | O2 | doub | 1.22Å | 1.25Å | |
| C2 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.35Å | 1.41Å | Aromatic |
| N3 | HN31 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.30Å | |
| C4 | C5 | sing | 1.42Å | 1.47Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.54Å | |
| C7 | HC71 | sing | 1.09Å | 1.12Å | |
| C7 | HC72 | sing | 1.09Å | 1.11Å | |
| C7 | HC73 | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.39Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| F | C3' | sing | 1.40Å | 1.40Å | |
| C1' | C2' | sing | 1.55Å | 1.54Å | |
| C1' | H1'1 | sing | 1.09Å | 1.11Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C3' | C4' | sing | 1.54Å | 1.56Å | |
| C3' | H3'1 | sing | 1.09Å | 1.12Å | |
| C4' | C5' | sing | 1.53Å | 1.59Å | |
| C4' | H4'1 | sing | 1.09Å | 1.11Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| O5' | P1 | sing | 1.61Å | 1.71Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| P1 | OP2 | sing | 1.61Å | 1.58Å | |
| P1 | OP1 | doub | 1.48Å | 1.43Å | |
| P1 | OP3 | sing | 1.61Å | 1.47Å | |
| OP2 | HP31 | sing | 0.97Å | 0.95Å | |
| OP3 | HP21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C2 | 124.4° | 120.6° |
| C6 | N1 | C1' | 114.3° | 119.7° |
| N1 | C6 | C5 | 118.9° | 119.7° |
| N1 | C6 | HC61 | 122.5° | 120.1° |
| C2 | N1 | C1' | 121.0° | 119.7° |
| N1 | C2 | O2 | 120.5° | 119.5° |
| N1 | C2 | N3 | 116.7° | 121.0° |
| N1 | C1' | O4' | 112.0° | 110.6° |
| N1 | C1' | C2' | 119.7° | 110.7° |
| N1 | C1' | H1'1 | 98.6° | 110.5° |
| C5 | C6 | HC61 | 118.6° | 120.2° |
| C6 | C5 | C4 | 119.5° | 119.1° |
| C6 | C5 | C7 | 125.5° | 120.5° |
| O2 | C2 | N3 | 122.7° | 119.5° |
| C2 | N3 | C4 | 122.1° | 120.2° |
| C2 | N3 | HN31 | 116.3° | 119.9° |
| C4 | N3 | HN31 | 121.6° | 119.9° |
| N3 | C4 | O4 | 118.6° | 120.3° |
| N3 | C4 | C5 | 118.3° | 119.4° |
| O4 | C4 | C5 | 123.1° | 120.3° |
| C4 | C5 | C7 | 114.9° | 120.4° |
| C5 | C7 | HC71 | 125.6° | 109.5° |
| C5 | C7 | HC72 | 106.6° | 109.5° |
| C5 | C7 | HC73 | 106.6° | 109.5° |
| HC71 | C7 | HC72 | 106.5° | 109.4° |
| HC71 | C7 | HC73 | 106.5° | 109.4° |
| HC72 | C7 | HC73 | 103.0° | 109.5° |
| C1' | O4' | C4' | 110.3° | 106.9° |
| O4' | C1' | C2' | 105.3° | 103.6° |
| O4' | C1' | H1'1 | 115.0° | 110.6° |
| O4' | C4' | C3' | 106.2° | 107.4° |
| O4' | C4' | C5' | 121.2° | 110.1° |
| O4' | C4' | H4'1 | 107.1° | 109.7° |
| F | C3' | C2' | 114.0° | 110.5° |
| F | C3' | C4' | 108.2° | 110.6° |
| F | C3' | H3'1 | 105.3° | 110.4° |
| C2' | C1' | H1'1 | 106.3° | 110.6° |
| C1' | C2' | C3' | 102.1° | 102.1° |
| C1' | C2' | H2'1 | 115.1° | 110.9° |
| C1' | C2' | H2'2 | 115.0° | 110.8° |
| C3' | C2' | H2'1 | 115.1° | 110.9° |
| C3' | C2' | H2'2 | 115.0° | 110.9° |
| C2' | C3' | C4' | 102.6° | 104.2° |
| C2' | C3' | H3'1 | 110.7° | 110.5° |
| H2'1 | C2' | H2'2 | 95.4° | 110.8° |
| C4' | C3' | H3'1 | 116.2° | 110.5° |
| C3' | C4' | C5' | 117.6° | 109.9° |
| C3' | C4' | H4'1 | 111.8° | 109.9° |
| C5' | C4' | H4'1 | 91.5° | 109.8° |
| C4' | C5' | O5' | 100.4° | 109.5° |
| C4' | C5' | H5'1 | 115.7° | 109.4° |
| C4' | C5' | H5'2 | 115.7° | 109.4° |
| C5' | O5' | P1 | 111.6° | 106.8° |
| O5' | C5' | H5'1 | 115.7° | 109.5° |
| O5' | C5' | H5'2 | 115.7° | 109.5° |
| O5' | P1 | OP2 | 100.1° | 109.5° |
| O5' | P1 | OP1 | 103.0° | 109.4° |
| O5' | P1 | OP3 | 112.5° | 109.5° |
| H5'1 | C5' | H5'2 | 94.7° | 109.5° |
| OP2 | P1 | OP1 | 112.4° | 109.4° |
| OP2 | P1 | OP3 | 102.6° | 109.4° |
| P1 | OP2 | HP31 | 100.0° | 106.9° |
| OP1 | P1 | OP3 | 123.9° | 109.5° |
| P1 | OP3 | HP21 | 112.6° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C2 | C1' | 173.2° | 179.9° |
| N1 | C6 | C5 | HC61 | 180.0° | 180.0° |
| C6 | N1 | C2 | O2 | 179.7° | 180.0° |
| C6 | N1 | C2 | N3 | 3.9° | 0.0° |
| N1 | C6 | C5 | C4 | 3.1° | 0.3° |
| N1 | C6 | C5 | C7 | 179.6° | 180.0° |
| C6 | N1 | C1' | O4' | 56.8° | 123.6° |
| C6 | N1 | C1' | C2' | 67.2° | 122.1° |
| C6 | N1 | C1' | H1'1 | 178.3° | 0.8° |
| C2 | N1 | C6 | C5 | 3.2° | 0.1° |
| C2 | N1 | C6 | HC61 | 176.8° | 180.0° |
| N1 | C2 | O2 | N3 | 176.2° | 180.0° |
| N1 | C2 | N3 | C4 | 4.5° | 0.2° |
| N1 | C2 | N3 | HN31 | 175.5° | 180.0° |
| C2 | N1 | C1' | O4' | 117.0° | 56.5° |
| C2 | N1 | C1' | C2' | 119.0° | 57.8° |
| C2 | N1 | C1' | H1'1 | 4.5° | 179.3° |
| C1' | N1 | C6 | C5 | 176.8° | 180.0° |
| C1' | N1 | C6 | HC61 | 3.2° | 0.1° |
| C1' | N1 | C2 | O2 | 6.5° | 0.0° |
| C1' | N1 | C2 | N3 | 177.1° | 180.0° |
| N1 | C1' | O4' | C2' | 131.7° | 118.7° |
| N1 | C1' | O4' | H1'1 | 111.6° | 122.8° |
| N1 | C1' | O4' | C4' | 159.1° | 158.4° |
| N1 | C1' | C2' | H1'1 | 110.3° | 122.8° |
| N1 | C1' | C2' | C3' | 164.3° | 155.5° |
| N1 | C1' | C2' | H2'1 | 70.4° | 86.2° |
| N1 | C1' | C2' | H2'2 | 39.0° | 37.3° |
| C6 | C5 | C4 | N3 | 3.8° | 0.5° |
| C6 | C5 | C4 | O4 | 177.3° | 180.0° |
| C6 | C5 | C4 | C7 | 177.6° | 179.7° |
| C6 | C5 | C7 | HC71 | 180.0° | 180.0° |
| C6 | C5 | C7 | HC72 | 54.7° | 60.0° |
| C6 | C5 | C7 | HC73 | 54.7° | 60.0° |
| HC61 | C6 | C5 | C4 | 176.9° | 179.8° |
| HC61 | C6 | C5 | C7 | 0.4° | 0.0° |
| O2 | C2 | N3 | C4 | 179.1° | 179.8° |
| O2 | C2 | N3 | HN31 | 0.9° | 0.0° |
| C2 | N3 | C4 | HN31 | 180.0° | 179.8° |
| C2 | N3 | C4 | O4 | 176.4° | 180.0° |
| C2 | N3 | C4 | C5 | 4.6° | 0.4° |
| N3 | C4 | O4 | C5 | 178.9° | 179.6° |
| N3 | C4 | C5 | C7 | 178.6° | 179.8° |
| HN31 | N3 | C4 | O4 | 3.6° | 0.2° |
| HN31 | N3 | C4 | C5 | 175.4° | 179.8° |
| O4 | C4 | C5 | C7 | 0.3° | 0.2° |
| C4 | C5 | C7 | HC71 | 2.6° | 0.3° |
| C4 | C5 | C7 | HC72 | 122.7° | 119.7° |
| C4 | C5 | C7 | HC73 | 127.8° | 120.3° |
| C5 | C7 | HC71 | HC72 | 125.3° | 120.0° |
| C5 | C7 | HC71 | HC73 | 125.3° | 120.0° |
| C5 | C7 | HC72 | HC73 | 112.0° | 120.0° |
| HC71 | C7 | HC72 | HC73 | 111.8° | 120.0° |
| O4' | C1' | C2' | H1'1 | 122.5° | 118.6° |
| O4' | C1' | C2' | C3' | 37.1° | 36.9° |
| O4' | C1' | C2' | H2'1 | 162.4° | 155.2° |
| O4' | C1' | C2' | H2'2 | 88.2° | 81.3° |
| C1' | O4' | C4' | C3' | 6.6° | 26.2° |
| C1' | O4' | C4' | C5' | 144.4° | 145.9° |
| C1' | O4' | C4' | H4'1 | 113.0° | 93.2° |
| O4' | C4' | C3' | F | 103.9° | 120.6° |
| C4' | O4' | C1' | C2' | 27.3° | 39.8° |
| C4' | O4' | C1' | H1'1 | 89.4° | 78.8° |
| O4' | C4' | C3' | C2' | 17.0° | 1.9° |
| O4' | C4' | C3' | C5' | 139.5° | 119.7° |
| O4' | C4' | C3' | H4'1 | 116.5° | 119.3° |
| O4' | C4' | C3' | H3'1 | 137.9° | 116.8° |
| O4' | C4' | C5' | H4'1 | 111.1° | 120.9° |
| O4' | C4' | C5' | O5' | 72.3° | 61.9° |
| O4' | C4' | C5' | H5'1 | 53.0° | 178.1° |
| O4' | C4' | C5' | H5'2 | 162.5° | 58.1° |
| F | C3' | C2' | C1' | 85.2° | 97.9° |
| F | C3' | C2' | C4' | 116.8° | 118.8° |
| F | C3' | C2' | H3'1 | 118.6° | 122.5° |
| F | C3' | C2' | H2'1 | 40.1° | 20.3° |
| F | C3' | C2' | H2'2 | 149.5° | 143.9° |
| F | C3' | C4' | H3'1 | 118.2° | 122.6° |
| F | C3' | C4' | C5' | 116.5° | 119.7° |
| F | C3' | C4' | H4'1 | 12.6° | 1.3° |
| C1' | C2' | C3' | H2'1 | 125.3° | 118.2° |
| C1' | C2' | C3' | H2'2 | 125.2° | 118.2° |
| C1' | C2' | H2'1 | H2'2 | 120.9° | 123.6° |
| C1' | C2' | C3' | C4' | 31.6° | 20.9° |
| C1' | C2' | C3' | H3'1 | 156.2° | 139.6° |
| H1'1 | C1' | C2' | C3' | 85.4° | 81.7° |
| H1'1 | C1' | C2' | H2'1 | 39.9° | 36.6° |
| H1'1 | C1' | C2' | H2'2 | 149.4° | 160.2° |
| C3' | C2' | H2'1 | H2'2 | 120.9° | 123.7° |
| C2' | C3' | C4' | H3'1 | 120.9° | 118.7° |
| C2' | C3' | C4' | C5' | 122.6° | 121.6° |
| C2' | C3' | C4' | H4'1 | 133.5° | 117.4° |
| H2'1 | C2' | C3' | C4' | 156.9° | 139.1° |
| H2'1 | C2' | C3' | H3'1 | 78.5° | 102.2° |
| H2'2 | C2' | C3' | C4' | 93.7° | 97.3° |
| H2'2 | C2' | C3' | H3'1 | 31.0° | 21.4° |
| C3' | C4' | C5' | H4'1 | 115.7° | 121.1° |
| C3' | C4' | C5' | O5' | 61.0° | 180.0° |
| C3' | C4' | C5' | H5'1 | 173.8° | 60.0° |
| C3' | C4' | C5' | H5'2 | 64.3° | 60.0° |
| H3'1 | C3' | C4' | C5' | 1.7° | 2.9° |
| H3'1 | C3' | C4' | H4'1 | 105.6° | 123.9° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
| C4' | C5' | O5' | H5'2 | 125.3° | 120.0° |
| C4' | C5' | O5' | P1 | 144.0° | 180.0° |
| C4' | C5' | H5'1 | H5'2 | 121.5° | 119.9° |
| H4'1 | C4' | C5' | O5' | 176.7° | 58.9° |
| H4'1 | C4' | C5' | H5'1 | 58.1° | 61.1° |
| H4'1 | C4' | C5' | H5'2 | 51.4° | 179.0° |
| O5' | C5' | H5'1 | H5'2 | 121.5° | 120.0° |
| C5' | O5' | P1 | OP2 | 76.9° | 180.0° |
| C5' | O5' | P1 | OP1 | 167.1° | 60.0° |
| C5' | O5' | P1 | OP3 | 31.4° | 60.0° |
| P1 | O5' | C5' | H5'1 | 90.7° | 60.0° |
| P1 | O5' | C5' | H5'2 | 18.7° | 60.0° |
| O5' | P1 | OP2 | OP1 | 108.7° | 120.0° |
| O5' | P1 | OP2 | OP3 | 116.0° | 120.0° |
| O5' | P1 | OP1 | OP3 | 129.0° | 120.0° |
| O5' | P1 | OP2 | HP31 | 180.0° | 180.0° |
| O5' | P1 | OP3 | HP21 | 180.0° | 60.1° |
| OP2 | P1 | OP1 | OP3 | 124.2° | 120.0° |
| OP2 | P1 | OP3 | HP21 | 73.4° | 60.0° |
| OP1 | P1 | OP2 | HP31 | 71.3° | 60.0° |
| OP1 | P1 | OP3 | HP21 | 55.0° | 179.9° |
| OP3 | P1 | OP2 | HP31 | 64.0° | 60.0° |
