FMU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.40Å | 1.35Å | |
| N1 | C6 | sing | 1.46Å | 1.48Å | |
| N1 | C1' | sing | 1.43Å | 1.45Å | |
| N3 | C2 | sing | 1.40Å | 1.32Å | |
| N3 | C4 | sing | 1.39Å | 1.34Å | |
| N3 | H3 | sing | 1.02Å | 1.02Å | |
| O2 | C2 | doub | 1.23Å | 1.23Å | |
| C5 | C5M | sing | 1.52Å | 1.55Å | |
| C5 | C6 | sing | 1.52Å | 1.54Å | |
| C5 | C4 | sing | 1.52Å | 1.56Å | |
| C5 | F | sing | 1.37Å | 1.34Å | |
| C5M | H5M1 | sing | 1.09Å | 1.12Å | |
| C5M | H5M2 | sing | 1.09Å | 1.12Å | |
| C5M | H5M3 | sing | 1.09Å | 1.12Å | |
| C6 | H6C1 | sing | 1.10Å | 1.11Å | |
| C6 | H6C2 | sing | 1.10Å | 1.11Å | |
| C1' | C2' | sing | 1.52Å | 1.56Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C4 | O4 | doub | 1.23Å | 1.22Å | |
| C2' | O2' | sing | 1.41Å | 1.43Å | |
| C2' | C3' | sing | 1.51Å | 1.52Å | |
| C2' | H2' | sing | 1.10Å | 1.11Å | |
| O2' | HA | sing | 0.97Å | 0.95Å | |
| C3' | C4' | sing | 1.52Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.52Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O3' | HB | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.42Å | 1.44Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| O5' | P | sing | 1.62Å | 1.59Å | |
| P | O1P | sing | 1.62Å | 1.56Å | |
| P | O2P | doub | 1.50Å | 1.55Å | |
| P | O3P | sing | 1.62Å | 76.68Å | |
| O3P | H3P | sing | 0.98Å | 0.95Å | |
| HO1 | O1P | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 124.2° | 120.8° |
| C2 | N1 | C1' | 120.5° | 120.8° |
| N1 | C2 | N3 | 122.9° | 114.7° |
| N1 | C2 | O2 | 119.8° | 124.3° |
| C6 | N1 | C1' | 115.0° | 117.4° |
| N1 | C6 | C5 | 110.7° | 111.2° |
| N1 | C6 | H6C1 | 111.8° | 107.2° |
| N1 | C6 | H6C2 | 111.8° | 108.0° |
| N1 | C1' | C2' | 119.9° | 112.5° |
| N1 | C1' | O4' | 106.1° | 109.0° |
| N1 | C1' | H1' | 107.4° | 107.3° |
| C2 | N3 | C4 | 123.3° | 127.9° |
| C2 | N3 | H3 | 118.4° | 116.0° |
| N3 | C2 | O2 | 117.3° | 120.9° |
| C4 | N3 | H3 | 118.4° | 116.0° |
| N3 | C4 | C5 | 119.0° | 113.9° |
| N3 | C4 | O4 | 122.0° | 122.8° |
| C5M | C5 | C6 | 111.6° | 110.9° |
| C5M | C5 | C4 | 111.9° | 111.3° |
| C5M | C5 | F | 108.0° | 107.0° |
| C5 | C5M | H5M1 | 111.6° | 110.6° |
| C5 | C5M | H5M2 | 111.4° | 110.6° |
| C5 | C5M | H5M3 | 111.4° | 110.5° |
| C6 | C5 | C4 | 115.1° | 110.2° |
| C6 | C5 | F | 105.9° | 107.9° |
| C5 | C6 | H6C1 | 111.8° | 111.5° |
| C5 | C6 | H6C2 | 111.8° | 109.8° |
| C4 | C5 | F | 103.6° | 109.3° |
| C5 | C4 | O4 | 118.6° | 123.1° |
| H5M1 | C5M | H5M2 | 111.4° | 108.4° |
| H5M1 | C5M | H5M3 | 111.5° | 108.4° |
| H5M2 | C5M | H5M3 | 98.9° | 108.4° |
| H6C1 | C6 | H6C2 | 98.6° | 109.0° |
| C2' | C1' | O4' | 107.9° | 106.5° |
| C2' | C1' | H1' | 107.5° | 112.6° |
| C1' | C2' | O2' | 111.1° | 112.6° |
| C1' | C2' | C3' | 102.9° | 102.0° |
| C1' | C2' | H2' | 111.7° | 111.1° |
| O4' | C1' | H1' | 107.5° | 108.9° |
| C1' | O4' | C4' | 104.7° | 109.2° |
| O2' | C2' | C3' | 107.3° | 112.3° |
| O2' | C2' | H2' | 111.7° | 108.6° |
| C2' | O2' | HA | 111.1° | 107.2° |
| C3' | C2' | H2' | 111.7° | 110.1° |
| C2' | C3' | C4' | 100.5° | 102.1° |
| C2' | C3' | O3' | 110.2° | 110.3° |
| C2' | C3' | H3' | 111.9° | 114.0° |
| C4' | C3' | O3' | 109.8° | 107.9° |
| C4' | C3' | H3' | 112.0° | 114.5° |
| C3' | C4' | O4' | 103.4° | 105.9° |
| C3' | C4' | C5' | 113.6° | 113.3° |
| C3' | C4' | H4' | 111.4° | 112.2° |
| O3' | C3' | H3' | 111.9° | 107.8° |
| C3' | O3' | HB | 110.2° | 106.4° |
| O4' | C4' | C5' | 104.9° | 108.2° |
| O4' | C4' | H4' | 111.4° | 107.7° |
| C5' | C4' | H4' | 111.5° | 109.3° |
| C4' | C5' | O5' | 107.1° | 108.6° |
| C4' | C5' | H5'1 | 113.1° | 110.1° |
| C4' | C5' | H5'2 | 113.1° | 110.1° |
| O5' | C5' | H5'1 | 113.1° | 109.2° |
| O5' | C5' | H5'2 | 113.1° | 109.3° |
| C5' | O5' | P | 122.6° | 118.5° |
| H5'1 | C5' | H5'2 | 97.3° | 109.6° |
| O5' | P | O1P | 111.7° | 102.9° |
| O5' | P | O2P | 111.0° | 115.0° |
| O5' | P | O3P | 132.3° | 103.8° |
| O1P | P | O2P | 118.1° | 114.9° |
| O1P | P | O3P | 59.2° | 103.3° |
| P | O1P | HO1 | 109.5° | 119.0° |
| O2P | P | O3P | 59.0° | 115.3° |
| P | O3P | H3P | 132.3° | 119.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 174.0° | 168.7° |
| N1 | C2 | N3 | O2 | 178.2° | 179.7° |
| N1 | C2 | N3 | C4 | 2.2° | 10.1° |
| N1 | C2 | N3 | H3 | 177.8° | 172.4° |
| C2 | N1 | C6 | C5 | 19.4° | 41.3° |
| C2 | N1 | C6 | H6C1 | 144.6° | 80.8° |
| C2 | N1 | C6 | H6C2 | 105.9° | 161.9° |
| C2 | N1 | C1' | C2' | 46.9° | 94.4° |
| C2 | N1 | C1' | O4' | 75.4° | 147.7° |
| C2 | N1 | C1' | H1' | 169.9° | 30.0° |
| C6 | N1 | C2 | N3 | 5.7° | 9.8° |
| C6 | N1 | C2 | O2 | 172.5° | 170.5° |
| N1 | C6 | C5 | C5M | 104.1° | 176.4° |
| N1 | C6 | C5 | H6C1 | 125.3° | 119.6° |
| N1 | C6 | C5 | H6C2 | 125.2° | 119.5° |
| N1 | C6 | C5 | C4 | 24.8° | 52.6° |
| N1 | C6 | C5 | F | 138.6° | 66.7° |
| N1 | C6 | H6C1 | H6C2 | 117.7° | 116.7° |
| C6 | N1 | C1' | C2' | 127.3° | 74.4° |
| C6 | N1 | C1' | O4' | 110.4° | 43.5° |
| C6 | N1 | C1' | H1' | 4.3° | 161.3° |
| C1' | N1 | C2 | N3 | 179.3° | 178.2° |
| C1' | N1 | C2 | O2 | 1.2° | 2.1° |
| C1' | N1 | C6 | C5 | 166.7° | 149.9° |
| C1' | N1 | C6 | H6C1 | 41.4° | 87.9° |
| C1' | N1 | C6 | H6C2 | 68.1° | 29.4° |
| N1 | C1' | C2' | O4' | 121.4° | 119.3° |
| N1 | C1' | C2' | H1' | 122.9° | 121.4° |
| N1 | C1' | O4' | H1' | 114.7° | 116.8° |
| N1 | C1' | C2' | O2' | 127.8° | 89.4° |
| N1 | C1' | C2' | C3' | 117.6° | 150.0° |
| N1 | C1' | C2' | H2' | 2.3° | 32.7° |
| N1 | C1' | O4' | C4' | 153.8° | 132.9° |
| C2 | N3 | C4 | H3 | 180.0° | 177.5° |
| C2 | N3 | C4 | C5 | 5.8° | 4.6° |
| C2 | N3 | C4 | O4 | 179.2° | 179.5° |
| C4 | N3 | C2 | O2 | 179.6° | 169.6° |
| N3 | C4 | C5 | C5M | 108.6° | 159.2° |
| N3 | C4 | C5 | C6 | 20.1° | 35.6° |
| N3 | C4 | C5 | O4 | 173.6° | 176.0° |
| N3 | C4 | C5 | F | 135.2° | 82.8° |
| H3 | N3 | C2 | O2 | 0.4° | 7.9° |
| H3 | N3 | C4 | C5 | 174.2° | 172.9° |
| H3 | N3 | C4 | O4 | 0.8° | 3.1° |
| C5M | C5 | C6 | C4 | 128.9° | 123.7° |
| C5M | C5 | C6 | F | 117.3° | 117.0° |
| C5M | C5 | C4 | F | 116.1° | 118.0° |
| C5 | C5M | H5M1 | H5M2 | 125.2° | 121.3° |
| C5 | C5M | H5M1 | H5M3 | 125.3° | 121.3° |
| C5 | C5M | H5M2 | H5M3 | 117.3° | 121.2° |
| C5M | C5 | C6 | H6C1 | 21.2° | 56.8° |
| C5M | C5 | C6 | H6C2 | 130.6° | 64.1° |
| C5M | C5 | C4 | O4 | 65.0° | 24.9° |
| C6 | C5 | C4 | F | 115.1° | 118.4° |
| C6 | C5 | C5M | H5M1 | 180.0° | 46.2° |
| C6 | C5 | C5M | H5M2 | 54.7° | 73.9° |
| C6 | C5 | C5M | H5M3 | 54.7° | 166.2° |
| C5 | C6 | H6C1 | H6C2 | 117.7° | 121.4° |
| C6 | C5 | C4 | O4 | 166.3° | 148.4° |
| C4 | C5 | C5M | H5M1 | 49.4° | 169.3° |
| C4 | C5 | C5M | H5M2 | 75.8° | 49.3° |
| C4 | C5 | C5M | H5M3 | 174.7° | 70.7° |
| C4 | C5 | C6 | H6C1 | 150.1° | 67.0° |
| C4 | C5 | C6 | H6C2 | 100.4° | 172.1° |
| F | C5 | C5M | H5M1 | 64.1° | 71.3° |
| F | C5 | C5M | H5M2 | 170.7° | 168.7° |
| F | C5 | C5M | H5M3 | 61.3° | 48.7° |
| F | C5 | C6 | H6C1 | 96.1° | 173.7° |
| F | C5 | C6 | H6C2 | 13.4° | 52.8° |
| F | C5 | C4 | O4 | 51.2° | 93.2° |
| H5M1 | C5M | H5M2 | H5M3 | 117.3° | 117.4° |
| C2' | C1' | O4' | H1' | 115.7° | 121.6° |
| C1' | C2' | O2' | C3' | 111.8° | 114.5° |
| C1' | C2' | O2' | H2' | 125.5° | 123.5° |
| C1' | C2' | C3' | H2' | 119.9° | 118.0° |
| C1' | C2' | O2' | HA | 180.0° | 86.2° |
| C1' | C2' | C3' | C4' | 28.2° | 37.1° |
| C1' | C2' | C3' | O3' | 144.0° | 77.4° |
| C1' | C2' | C3' | H3' | 90.7° | 161.1° |
| C2' | C1' | O4' | C4' | 24.2° | 11.3° |
| O4' | C1' | C2' | O2' | 110.8° | 151.3° |
| O4' | C1' | C2' | C3' | 3.8° | 30.7° |
| O4' | C1' | C2' | H2' | 123.7° | 86.6° |
| C1' | O4' | C4' | C3' | 43.1° | 12.8° |
| C1' | O4' | C4' | C5' | 162.4° | 109.0° |
| C1' | O4' | C4' | H4' | 76.8° | 133.0° |
| H1' | C1' | C2' | O2' | 4.8° | 32.1° |
| H1' | C1' | C2' | C3' | 119.5° | 88.5° |
| H1' | C1' | C2' | H2' | 120.6° | 154.2° |
| H1' | C1' | O4' | C4' | 91.5° | 110.3° |
| O2' | C2' | C3' | H2' | 122.7° | 121.1° |
| O2' | C2' | C3' | C4' | 89.1° | 158.0° |
| O2' | C2' | C3' | O3' | 26.7° | 43.5° |
| O2' | C2' | C3' | H3' | 151.9° | 78.0° |
| C3' | C2' | O2' | HA | 68.2° | 159.3° |
| C2' | C3' | C4' | O3' | 116.1° | 116.3° |
| C2' | C3' | C4' | H3' | 118.9° | 123.7° |
| C2' | C3' | O3' | H3' | 125.2° | 125.1° |
| C2' | C3' | C4' | O4' | 44.2° | 31.5° |
| C2' | C3' | C4' | C5' | 157.4° | 86.9° |
| C2' | C3' | C4' | H4' | 75.6° | 148.7° |
| C2' | C3' | O3' | HB | 180.0° | 79.6° |
| H2' | C2' | O2' | HA | 54.6° | 37.3° |
| H2' | C2' | C3' | C4' | 148.2° | 80.9° |
| H2' | C2' | C3' | O3' | 96.0° | 164.6° |
| H2' | C2' | C3' | H3' | 29.2° | 43.1° |
| C4' | C3' | O3' | H3' | 125.0° | 124.2° |
| C3' | C4' | O4' | C5' | 119.4° | 121.7° |
| C3' | C4' | O4' | H4' | 119.8° | 120.2° |
| C3' | C4' | C5' | H4' | 127.0° | 125.9° |
| C4' | C3' | O3' | HB | 70.2° | 31.2° |
| C3' | C4' | C5' | O5' | 169.8° | 179.5° |
| C3' | C4' | C5' | H5'1 | 44.5° | 60.0° |
| C3' | C4' | C5' | H5'2 | 64.9° | 60.9° |
| O3' | C3' | C4' | O4' | 160.3° | 84.7° |
| O3' | C3' | C4' | C5' | 86.5° | 156.8° |
| O3' | C3' | C4' | H4' | 40.4° | 32.5° |
| H3' | C3' | C4' | O4' | 74.7° | 155.2° |
| H3' | C3' | C4' | C5' | 38.4° | 36.8° |
| H3' | C3' | C4' | H4' | 165.4° | 87.6° |
| H3' | C3' | O3' | HB | 54.8° | 155.4° |
| O4' | C4' | C5' | H4' | 120.8° | 117.0° |
| O4' | C4' | C5' | O5' | 57.5° | 62.4° |
| O4' | C4' | C5' | H5'1 | 67.8° | 57.1° |
| O4' | C4' | C5' | H5'2 | 177.2° | 178.0° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.1° |
| C4' | C5' | O5' | H5'2 | 125.3° | 120.1° |
| C4' | C5' | H5'1 | H5'2 | 119.0° | 121.2° |
| C4' | C5' | O5' | P | 130.2° | 180.0° |
| H4' | C4' | C5' | O5' | 63.2° | 54.6° |
| H4' | C4' | C5' | H5'1 | 171.5° | 174.1° |
| H4' | C4' | C5' | H5'2 | 62.0° | 65.0° |
| O5' | C5' | H5'1 | H5'2 | 119.0° | 119.6° |
| C5' | O5' | P | O1P | 42.1° | 54.2° |
| C5' | O5' | P | O2P | 176.2° | 179.9° |
| C5' | O5' | P | O3P | 109.6° | 53.2° |
| H5'1 | C5' | O5' | P | 104.5° | 59.9° |
| H5'2 | C5' | O5' | P | 4.9° | 59.9° |
| O5' | P | O1P | O2P | 130.5° | 125.8° |
| O5' | P | O1P | O3P | 127.3° | 107.7° |
| O5' | P | O2P | O3P | 127.6° | 120.7° |
| O5' | P | O3P | H3P | 180.0° | 175.4° |
| O5' | P | O1P | HO1 | 123.1° | 173.8° |
| O1P | P | O2P | O3P | 3.2° | 120.0° |
| O1P | P | O3P | H3P | 87.7° | 77.5° |
| O2P | P | O3P | H3P | 89.0° | 48.7° |
| O2P | P | O1P | HO1 | 106.4° | 48.0° |
| O3P | P | O1P | HO1 | 109.5° | 78.5° |
