FHU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.45Å | |
| N1 | C6 | sing | 1.46Å | 1.44Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N3 | sing | 1.34Å | 1.45Å | |
| C2 | O2 | doub | 1.22Å | 1.21Å | |
| N3 | C4 | sing | 1.34Å | 1.45Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | O4 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C5 | C1' | sing | 1.53Å | 1.51Å | |
| C5 | F5 | sing | 1.40Å | 1.42Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C1' | C2' | sing | 1.54Å | 1.56Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | H5' | sing | 1.09Å | 1.12Å | |
| C5' | H5'' | sing | 1.09Å | 1.11Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 117.8° | 120.9° |
| C2 | N1 | HN1 | 109.2° | 119.6° |
| N1 | C2 | N3 | 116.4° | 121.6° |
| N1 | C2 | O2 | 121.7° | 119.2° |
| C6 | N1 | HN1 | 109.2° | 119.5° |
| N1 | C6 | C5 | 115.3° | 109.5° |
| N1 | C6 | O6 | 107.2° | 109.5° |
| N1 | C6 | H6 | 105.7° | 109.6° |
| N3 | C2 | O2 | 121.7° | 119.2° |
| C2 | N3 | C4 | 120.6° | 120.9° |
| C2 | N3 | HN3 | 119.6° | 119.5° |
| C4 | N3 | HN3 | 119.7° | 119.6° |
| N3 | C4 | C5 | 111.0° | 120.0° |
| N3 | C4 | O4 | 115.7° | 119.9° |
| C5 | C4 | O4 | 112.4° | 120.0° |
| C4 | C5 | C6 | 106.4° | 109.2° |
| C4 | C5 | C1' | 118.2° | 109.5° |
| C4 | C5 | F5 | 110.3° | 109.5° |
| C6 | C5 | C1' | 100.2° | 109.5° |
| C6 | C5 | F5 | 108.3° | 109.5° |
| C5 | C6 | O6 | 104.5° | 109.4° |
| C5 | C6 | H6 | 108.3° | 109.4° |
| C1' | C5 | F5 | 112.4° | 109.6° |
| C5 | C1' | C2' | 115.7° | 110.4° |
| C5 | C1' | O4' | 119.4° | 110.4° |
| C5 | C1' | H1' | 96.0° | 110.3° |
| O6 | C6 | H6 | 116.2° | 109.5° |
| C6 | O6 | HO6 | 107.2° | 106.8° |
| C2' | C1' | O4' | 108.2° | 104.9° |
| C2' | C1' | H1' | 110.5° | 110.3° |
| C1' | C2' | O2' | 107.8° | 110.8° |
| C1' | C2' | C3' | 103.4° | 104.0° |
| C1' | C2' | H2' | 115.9° | 110.4° |
| O4' | C1' | H1' | 105.7° | 110.4° |
| C1' | O4' | C4' | 110.8° | 105.3° |
| O2' | C2' | C3' | 113.5° | 110.5° |
| O2' | C2' | H2' | 106.1° | 110.4° |
| C2' | O2' | HO2' | 107.7° | 106.8° |
| C3' | C2' | H2' | 110.3° | 110.5° |
| C2' | C3' | C4' | 106.7° | 104.1° |
| C2' | C3' | O3' | 117.4° | 110.5° |
| C2' | C3' | H3' | 107.9° | 110.6° |
| C4' | C3' | O3' | 114.5° | 110.6° |
| C4' | C3' | H3' | 111.2° | 110.5° |
| C3' | C4' | O4' | 106.1° | 104.8° |
| C3' | C4' | C5' | 113.9° | 110.5° |
| C3' | C4' | H4' | 108.7° | 110.3° |
| O3' | C3' | H3' | 98.7° | 110.4° |
| C3' | O3' | HO3' | 117.4° | 106.9° |
| O4' | C4' | C5' | 108.9° | 110.4° |
| O4' | C4' | H4' | 113.7° | 110.4° |
| C5' | C4' | H4' | 105.8° | 110.3° |
| C4' | C5' | O5' | 110.4° | 109.5° |
| C4' | C5' | H5' | 111.9° | 109.5° |
| C4' | C5' | H5'' | 111.9° | 109.5° |
| O5' | C5' | H5' | 111.9° | 109.4° |
| O5' | C5' | H5'' | 111.9° | 109.5° |
| C5' | O5' | P | 120.4° | 106.8° |
| H5' | C5' | H5'' | 98.5° | 109.4° |
| O5' | P | OP1 | 108.8° | 109.5° |
| O5' | P | OP2 | 108.8° | 109.5° |
| O5' | P | OP3 | 104.9° | 109.5° |
| OP1 | P | OP2 | 119.8° | 109.5° |
| OP1 | P | OP3 | 108.5° | 109.5° |
| OP2 | P | OP3 | 105.0° | 109.5° |
| P | OP2 | HOP2 | 108.7° | 106.8° |
| P | OP3 | HOP3 | 105.0° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | HN1 | 125.2° | 180.0° |
| N1 | C2 | N3 | O2 | 176.0° | 180.0° |
| N1 | C2 | N3 | C4 | 26.7° | 12.0° |
| N1 | C2 | N3 | HN3 | 153.3° | 168.0° |
| C2 | N1 | C6 | C5 | 37.3° | 35.9° |
| C2 | N1 | C6 | O6 | 78.6° | 84.1° |
| C2 | N1 | C6 | H6 | 156.8° | 155.9° |
| C6 | N1 | C2 | N3 | 21.5° | 5.7° |
| C6 | N1 | C2 | O2 | 162.6° | 174.3° |
| N1 | C6 | C5 | C4 | 54.4° | 46.7° |
| N1 | C6 | C5 | O6 | 117.4° | 120.0° |
| N1 | C6 | C5 | H6 | 118.1° | 120.1° |
| N1 | C6 | C5 | C1' | 69.2° | 73.2° |
| N1 | C6 | C5 | F5 | 172.9° | 166.6° |
| N1 | C6 | O6 | H6 | 117.9° | 120.1° |
| N1 | C6 | O6 | HO6 | 180.0° | 60.0° |
| HN1 | N1 | C2 | N3 | 103.8° | 174.3° |
| HN1 | N1 | C2 | O2 | 72.2° | 5.7° |
| HN1 | N1 | C6 | C5 | 87.9° | 144.1° |
| HN1 | N1 | C6 | O6 | 156.2° | 95.9° |
| HN1 | N1 | C6 | H6 | 31.6° | 24.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 46.7° | 4.4° |
| C2 | N3 | C4 | O4 | 176.4° | 175.5° |
| O2 | C2 | N3 | C4 | 157.4° | 167.9° |
| O2 | C2 | N3 | HN3 | 22.7° | 12.0° |
| N3 | C4 | C5 | O4 | 131.4° | 179.9° |
| N3 | C4 | C5 | C6 | 56.6° | 34.2° |
| N3 | C4 | C5 | C1' | 54.9° | 85.7° |
| N3 | C4 | C5 | F5 | 173.9° | 154.1° |
| HN3 | N3 | C4 | C5 | 133.3° | 175.5° |
| HN3 | N3 | C4 | O4 | 3.6° | 4.5° |
| C4 | C5 | C6 | C1' | 123.6° | 119.9° |
| C4 | C5 | C6 | F5 | 118.6° | 119.9° |
| C4 | C5 | C1' | F5 | 130.3° | 120.1° |
| C4 | C5 | C6 | O6 | 63.0° | 73.3° |
| C4 | C5 | C6 | H6 | 172.5° | 166.8° |
| C4 | C5 | C1' | C2' | 52.3° | 61.5° |
| C4 | C5 | C1' | O4' | 175.7° | 177.1° |
| C4 | C5 | C1' | H1' | 63.9° | 60.7° |
| O4 | C4 | C5 | C6 | 172.0° | 145.7° |
| O4 | C4 | C5 | C1' | 76.6° | 94.4° |
| O4 | C4 | C5 | F5 | 54.7° | 25.8° |
| C6 | C5 | C1' | F5 | 114.8° | 120.2° |
| C5 | C6 | O6 | H6 | 119.3° | 119.9° |
| C6 | C5 | C1' | C2' | 167.2° | 178.8° |
| C6 | C5 | C1' | O4' | 60.8° | 63.2° |
| C6 | C5 | C1' | H1' | 51.0° | 59.0° |
| C5 | C6 | O6 | HO6 | 57.2° | 180.0° |
| C1' | C5 | C6 | O6 | 173.4° | 166.8° |
| C1' | C5 | C6 | H6 | 48.9° | 46.8° |
| C5 | C1' | C2' | O4' | 137.0° | 118.9° |
| C5 | C1' | C2' | H1' | 107.7° | 122.2° |
| C5 | C1' | O4' | H1' | 106.5° | 122.2° |
| C5 | C1' | C2' | O2' | 92.2° | 98.5° |
| C5 | C1' | C2' | C3' | 147.3° | 142.8° |
| C5 | C1' | C2' | H2' | 26.5° | 24.2° |
| C5 | C1' | O4' | C4' | 131.6° | 159.4° |
| F5 | C5 | C6 | O6 | 55.5° | 46.6° |
| F5 | C5 | C6 | H6 | 69.0° | 73.3° |
| F5 | C5 | C1' | C2' | 78.0° | 58.6° |
| F5 | C5 | C1' | O4' | 54.0° | 56.9° |
| F5 | C5 | C1' | H1' | 165.8° | 179.2° |
| H6 | C6 | O6 | HO6 | 62.1° | 60.1° |
| C2' | C1' | O4' | H1' | 118.4° | 118.8° |
| C1' | C2' | O2' | C3' | 113.9° | 114.7° |
| C1' | C2' | O2' | H2' | 124.8° | 122.6° |
| C1' | C2' | C3' | H2' | 124.5° | 118.4° |
| C1' | C2' | O2' | HO2' | 180.0° | 176.1° |
| C1' | C2' | C3' | C4' | 19.6° | 0.1° |
| C1' | C2' | C3' | O3' | 110.5° | 118.9° |
| C1' | C2' | C3' | H3' | 139.2° | 118.5° |
| C2' | C1' | O4' | C4' | 3.6° | 40.4° |
| O4' | C1' | C2' | O2' | 130.8° | 142.6° |
| O4' | C1' | C2' | C3' | 10.3° | 23.8° |
| O4' | C1' | C2' | H2' | 110.5° | 94.7° |
| C1' | O4' | C4' | C3' | 16.1° | 40.5° |
| C1' | O4' | C4' | C5' | 106.8° | 159.4° |
| C1' | O4' | C4' | H4' | 135.5° | 78.3° |
| H1' | C1' | C2' | O2' | 15.5° | 23.7° |
| H1' | C1' | C2' | C3' | 105.0° | 95.0° |
| H1' | C1' | C2' | H2' | 134.2° | 146.4° |
| H1' | C1' | O4' | C4' | 122.0° | 78.4° |
| O2' | C2' | C3' | H2' | 119.0° | 122.6° |
| O2' | C2' | C3' | C4' | 136.1° | 118.8° |
| O2' | C2' | C3' | O3' | 6.0° | 0.1° |
| O2' | C2' | C3' | H3' | 104.3° | 122.5° |
| C3' | C2' | O2' | HO2' | 66.1° | 61.4° |
| C2' | C3' | C4' | O3' | 131.7° | 118.7° |
| C2' | C3' | C4' | H3' | 117.5° | 118.7° |
| C2' | C3' | O3' | H3' | 115.5° | 122.7° |
| C2' | C3' | C4' | O4' | 22.4° | 24.1° |
| C2' | C3' | C4' | C5' | 97.4° | 143.0° |
| C2' | C3' | C4' | H4' | 145.0° | 94.8° |
| C2' | C3' | O3' | HO3' | 180.0° | 176.1° |
| H2' | C2' | O2' | HO2' | 55.3° | 61.3° |
| H2' | C2' | C3' | C4' | 104.9° | 118.6° |
| H2' | C2' | C3' | O3' | 125.0° | 122.7° |
| H2' | C2' | C3' | H3' | 14.7° | 0.1° |
| C4' | C3' | O3' | H3' | 118.2° | 122.6° |
| C3' | C4' | O4' | C5' | 122.9° | 118.9° |
| C3' | C4' | O4' | H4' | 119.4° | 118.8° |
| C3' | C4' | C5' | H4' | 119.3° | 122.3° |
| C4' | C3' | O3' | HO3' | 53.7° | 61.4° |
| C3' | C4' | C5' | O5' | 169.2° | 176.9° |
| C3' | C4' | C5' | H5' | 44.0° | 63.1° |
| C3' | C4' | C5' | H5'' | 65.5° | 56.9° |
| O3' | C3' | C4' | O4' | 109.3° | 142.8° |
| O3' | C3' | C4' | C5' | 130.9° | 98.3° |
| O3' | C3' | C4' | H4' | 13.3° | 23.9° |
| H3' | C3' | C4' | O4' | 139.9° | 94.7° |
| H3' | C3' | C4' | C5' | 20.1° | 24.2° |
| H3' | C3' | C4' | H4' | 97.5° | 146.5° |
| H3' | C3' | O3' | HO3' | 64.5° | 61.1° |
| O4' | C4' | C5' | H4' | 122.6° | 122.3° |
| O4' | C4' | C5' | O5' | 72.7° | 61.5° |
| O4' | C4' | C5' | H5' | 162.1° | 178.5° |
| O4' | C4' | C5' | H5'' | 52.6° | 58.5° |
| C4' | C5' | O5' | H5' | 125.2° | 120.0° |
| C4' | C5' | O5' | H5'' | 125.3° | 120.0° |
| C4' | C5' | H5' | H5'' | 117.8° | 120.0° |
| C4' | C5' | O5' | P | 155.5° | 180.0° |
| H4' | C4' | C5' | O5' | 49.9° | 60.8° |
| H4' | C4' | C5' | H5' | 75.3° | 59.2° |
| H4' | C4' | C5' | H5'' | 175.2° | 179.2° |
| O5' | C5' | H5' | H5'' | 117.8° | 120.0° |
| C5' | O5' | P | OP1 | 164.3° | 60.0° |
| C5' | O5' | P | OP2 | 63.6° | 180.0° |
| C5' | O5' | P | OP3 | 48.3° | 60.0° |
| H5' | C5' | O5' | P | 30.3° | 60.0° |
| H5'' | C5' | O5' | P | 79.2° | 59.9° |
| O5' | P | OP1 | OP2 | 125.9° | 120.0° |
| O5' | P | OP1 | OP3 | 113.7° | 120.0° |
| O5' | P | OP2 | OP3 | 111.9° | 120.0° |
| O5' | P | OP2 | HOP2 | 179.9° | 180.0° |
| O5' | P | OP3 | HOP3 | 180.0° | 60.0° |
| OP1 | P | OP2 | OP3 | 122.2° | 120.0° |
| OP1 | P | OP2 | HOP2 | 54.1° | 60.0° |
| OP1 | P | OP3 | HOP3 | 63.8° | 180.0° |
| OP2 | P | OP3 | HOP3 | 65.4° | 60.0° |
| OP3 | P | OP2 | HOP2 | 68.1° | 60.0° |
