FTD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2' | S3' | sing | 1.84Å | 1.76Å | |
| C2' | C1' | sing | 1.56Å | 1.55Å | |
| S3' | C4' | sing | 1.83Å | 1.76Å | |
| O2 | C2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.34Å | 1.35Å | |
| C2 | N1 | sing | 1.35Å | 1.39Å | |
| C1' | N1 | sing | 1.46Å | 1.47Å | |
| C1' | O4' | sing | 1.43Å | 1.40Å | |
| N3 | C4 | sing | 1.39Å | 1.37Å | |
| N1 | C6 | sing | 1.47Å | 1.40Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4 | N4 | sing | 1.39Å | 1.37Å | |
| C4 | C5 | doub | 1.33Å | 1.38Å | |
| C6 | C5 | sing | 1.51Å | 1.39Å | |
| C5 | F5 | sing | 1.35Å | 1.32Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| O5' | PA | sing | 1.61Å | 1.59Å | |
| O1A | PA | doub | 1.48Å | 1.50Å | |
| O3B | PB | doub | 1.48Å | 1.49Å | |
| O2A | PA | sing | 1.61Å | 1.60Å | |
| O2A | PB | sing | 1.61Å | 1.62Å | |
| PA | O3A | sing | 1.61Å | 1.49Å | |
| PB | O1B | sing | 1.61Å | 1.50Å | |
| PB | O2B | sing | 1.61Å | 1.53Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N4 | H2 | sing | 0.97Å | 1.00Å | |
| N4 | H3 | sing | 0.97Å | 1.00Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C4' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| O3A | H12 | sing | 0.97Å | 0.95Å | |
| O2B | H13 | sing | 0.97Å | 0.95Å | |
| O1B | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S3' | C2' | C1' | 101.4° | 100.1° |
| C2' | S3' | C4' | 98.2° | 95.6° |
| S3' | C2' | H7 | 111.5° | 111.3° |
| S3' | C2' | H8 | 111.5° | 111.2° |
| C2' | C1' | N1 | 115.0° | 109.8° |
| C2' | C1' | O4' | 109.0° | 107.6° |
| C2' | C1' | H6 | 108.2° | 109.9° |
| C1' | C2' | H7 | 111.5° | 111.3° |
| C1' | C2' | H8 | 111.4° | 111.3° |
| S3' | C4' | O4' | 103.8° | 104.4° |
| S3' | C4' | C5' | 108.4° | 110.4° |
| S3' | C4' | H9 | 109.3° | 110.4° |
| O2 | C2 | N3 | 122.1° | 119.0° |
| O2 | C2 | N1 | 118.0° | 119.1° |
| N3 | C2 | N1 | 119.6° | 122.0° |
| C2 | N3 | C4 | 121.8° | 123.3° |
| C2 | N3 | H1 | 119.1° | 118.4° |
| C2 | N1 | C1' | 117.5° | 120.7° |
| C2 | N1 | C6 | 119.2° | 118.5° |
| N1 | C1' | O4' | 105.2° | 109.8° |
| C1' | N1 | C6 | 121.0° | 120.7° |
| N1 | C1' | H6 | 109.2° | 109.8° |
| C1' | O4' | C4' | 111.2° | 112.3° |
| O4' | C1' | H6 | 110.1° | 109.8° |
| N3 | C4 | N4 | 121.0° | 119.5° |
| N3 | C4 | C5 | 119.0° | 121.1° |
| C4 | N3 | H1 | 119.1° | 118.3° |
| N1 | C6 | C5 | 118.3° | 117.2° |
| N1 | C6 | H4 | 107.2° | 108.1° |
| N1 | C6 | H5 | 107.2° | 107.7° |
| O4' | C4' | C5' | 108.4° | 110.4° |
| O4' | C4' | H9 | 113.9° | 110.5° |
| C4' | C5' | O5' | 105.3° | 109.5° |
| C5' | C4' | H9 | 112.5° | 110.5° |
| C4' | C5' | H10 | 110.5° | 109.5° |
| C4' | C5' | H11 | 110.5° | 109.5° |
| N4 | C4 | C5 | 120.0° | 119.5° |
| C4 | N4 | H2 | 109.5° | 120.0° |
| C4 | N4 | H3 | 109.5° | 120.0° |
| C4 | C5 | C6 | 121.2° | 118.0° |
| C4 | C5 | F5 | 120.0° | 121.0° |
| C6 | C5 | F5 | 118.8° | 121.0° |
| C5 | C6 | H4 | 107.2° | 107.8° |
| C5 | C6 | H5 | 107.2° | 107.9° |
| C5' | O5' | PA | 121.4° | 123.0° |
| O5' | C5' | H10 | 110.5° | 109.5° |
| O5' | C5' | H11 | 110.5° | 109.5° |
| O5' | PA | O1A | 108.9° | 109.5° |
| O5' | PA | O2A | 104.4° | 109.4° |
| O5' | PA | O3A | 99.9° | 109.5° |
| O1A | PA | O2A | 105.6° | 109.5° |
| O1A | PA | O3A | 123.8° | 109.5° |
| O3B | PB | O2A | 102.0° | 109.5° |
| O3B | PB | O1B | 115.4° | 109.5° |
| O3B | PB | O2B | 108.4° | 109.5° |
| PA | O2A | PB | 122.1° | 134.0° |
| O2A | PA | O3A | 112.5° | 109.5° |
| O2A | PB | O1B | 110.1° | 109.4° |
| O2A | PB | O2B | 109.0° | 109.4° |
| PA | O3A | H12 | 109.5° | 114.0° |
| O1B | PB | O2B | 111.4° | 109.5° |
| PB | O1B | H14 | 109.5° | 114.0° |
| PB | O2B | H13 | 109.5° | 114.0° |
| H2 | N4 | H3 | 109.4° | 120.0° |
| H4 | C6 | H5 | 109.5° | 107.7° |
| H7 | C2' | H8 | 109.5° | 111.2° |
| H10 | C5' | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S3' | C2' | C1' | H7 | 118.7° | 117.7° |
| S3' | C2' | C1' | H8 | 118.7° | 117.7° |
| S3' | C2' | C1' | N1 | 149.4° | 160.4° |
| S3' | C2' | C1' | O4' | 31.6° | 40.8° |
| C2' | S3' | C4' | O4' | 12.7° | 3.5° |
| C2' | S3' | C4' | C5' | 127.8° | 122.2° |
| S3' | C2' | C1' | H6 | 88.1° | 78.7° |
| S3' | C2' | H7 | H8 | 123.8° | 124.6° |
| C2' | S3' | C4' | H9 | 109.2° | 115.3° |
| C1' | C2' | S3' | C4' | 10.0° | 20.6° |
| C2' | C1' | N1 | C2 | 88.4° | 60.4° |
| C2' | C1' | N1 | O4' | 119.9° | 118.2° |
| C2' | C1' | N1 | H6 | 121.9° | 121.0° |
| C2' | C1' | O4' | H6 | 118.6° | 119.6° |
| C2' | C1' | N1 | C6 | 74.2° | 119.8° |
| C2' | C1' | O4' | C4' | 45.5° | 49.4° |
| C1' | C2' | H7 | H8 | 123.7° | 124.7° |
| S3' | C4' | O4' | C1' | 35.1° | 30.5° |
| S3' | C4' | O4' | C5' | 115.1° | 118.7° |
| S3' | C4' | O4' | H9 | 118.8° | 118.7° |
| S3' | C4' | C5' | H9 | 121.1° | 122.5° |
| S3' | C4' | C5' | O5' | 172.5° | 58.6° |
| C4' | S3' | C2' | H7 | 128.7° | 97.1° |
| C4' | S3' | C2' | H8 | 108.7° | 138.3° |
| S3' | C4' | C5' | H10 | 53.2° | 61.4° |
| S3' | C4' | C5' | H11 | 68.1° | 178.6° |
| O2 | C2 | N3 | N1 | 174.8° | 179.7° |
| O2 | C2 | N1 | C1' | 12.1° | 0.0° |
| O2 | C2 | N3 | C4 | 179.6° | 179.9° |
| O2 | C2 | N1 | C6 | 174.9° | 179.8° |
| O2 | C2 | N3 | H1 | 0.4° | 0.0° |
| N3 | C2 | N1 | C1' | 172.9° | 179.7° |
| C2 | N3 | C4 | H1 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 10.1° | 0.5° |
| C2 | N3 | C4 | N4 | 179.4° | 180.0° |
| C2 | N3 | C4 | C5 | 1.0° | 0.1° |
| C2 | N1 | C1' | C6 | 162.5° | 179.8° |
| C2 | N1 | C1' | O4' | 151.7° | 178.5° |
| N1 | C2 | N3 | C4 | 5.6° | 0.2° |
| C2 | N1 | C6 | C5 | 10.0° | 0.4° |
| N1 | C2 | N3 | H1 | 174.4° | 179.8° |
| C2 | N1 | C6 | H4 | 111.2° | 121.6° |
| C2 | N1 | C6 | H5 | 131.3° | 122.2° |
| C2 | N1 | C1' | H6 | 33.5° | 60.6° |
| N1 | C1' | O4' | H6 | 117.6° | 120.9° |
| N1 | C1' | O4' | C4' | 169.3° | 168.9° |
| C1' | N1 | C6 | C5 | 172.2° | 179.8° |
| C1' | N1 | C6 | H4 | 51.0° | 58.2° |
| C1' | N1 | C6 | H5 | 66.5° | 58.0° |
| N1 | C1' | C2' | H7 | 91.9° | 42.7° |
| N1 | C1' | C2' | H8 | 30.7° | 81.9° |
| O4' | C1' | N1 | C6 | 45.8° | 1.6° |
| C1' | O4' | C4' | C5' | 150.3° | 149.2° |
| O4' | C1' | C2' | H7 | 150.3° | 76.9° |
| O4' | C1' | C2' | H8 | 87.1° | 158.5° |
| C1' | O4' | C4' | H9 | 83.7° | 88.2° |
| N3 | C4 | N4 | C5 | 179.5° | 179.9° |
| N3 | C4 | C5 | C6 | 1.1° | 0.1° |
| N3 | C4 | C5 | F5 | 179.4° | 180.0° |
| N3 | C4 | N4 | H2 | 180.0° | 0.1° |
| N3 | C4 | N4 | H3 | 60.0° | 180.0° |
| N1 | C6 | C5 | C4 | 5.6° | 0.1° |
| N1 | C6 | C5 | H4 | 121.3° | 122.2° |
| N1 | C6 | C5 | H5 | 121.2° | 121.7° |
| N1 | C6 | C5 | F5 | 174.8° | 179.7° |
| N1 | C6 | H4 | H5 | 116.0° | 116.1° |
| C6 | N1 | C1' | H6 | 164.0° | 119.2° |
| O4' | C4' | C5' | H9 | 126.8° | 122.5° |
| O4' | C4' | C5' | O5' | 60.4° | 56.4° |
| C4' | O4' | C1' | H6 | 73.1° | 70.3° |
| O4' | C4' | C5' | H10 | 58.9° | 176.4° |
| O4' | C4' | C5' | H11 | 179.8° | 63.6° |
| C4' | C5' | O5' | H10 | 119.3° | 120.0° |
| C4' | C5' | O5' | H11 | 119.3° | 120.0° |
| C4' | C5' | O5' | PA | 167.2° | 180.0° |
| C4' | C5' | H10 | H11 | 121.9° | 120.0° |
| N4 | C4 | C5 | C6 | 179.4° | 180.0° |
| N4 | C4 | C5 | F5 | 0.2° | 0.1° |
| N4 | C4 | N3 | H1 | 0.5° | 0.1° |
| C4 | N4 | H2 | H3 | 120.0° | 179.9° |
| C4 | C5 | C6 | F5 | 179.6° | 179.9° |
| C5 | C4 | N3 | H1 | 179.0° | 179.9° |
| C5 | C4 | N4 | H2 | 0.5° | 180.0° |
| C5 | C4 | N4 | H3 | 119.5° | 0.1° |
| C4 | C5 | C6 | H4 | 115.7° | 122.0° |
| C4 | C5 | C6 | H5 | 126.9° | 121.8° |
| C5 | C6 | H4 | H5 | 116.0° | 116.2° |
| F5 | C5 | C6 | H4 | 63.9° | 58.1° |
| F5 | C5 | C6 | H5 | 53.6° | 58.0° |
| C5' | O5' | PA | O1A | 50.4° | 55.0° |
| C5' | O5' | PA | O2A | 62.0° | 175.0° |
| C5' | O5' | PA | O3A | 178.5° | 65.0° |
| O5' | C5' | C4' | H9 | 66.4° | 179.0° |
| O5' | C5' | H10 | H11 | 121.9° | 120.0° |
| O5' | PA | O1A | O2A | 111.7° | 120.0° |
| O5' | PA | O1A | O3A | 116.6° | 120.0° |
| O5' | PA | O2A | O3A | 107.4° | 120.0° |
| O5' | PA | O2A | PB | 159.2° | 164.9° |
| PA | O5' | C5' | H10 | 47.9° | 60.1° |
| PA | O5' | C5' | H11 | 73.4° | 60.0° |
| O5' | PA | O3A | H12 | 120.8° | 60.0° |
| O1A | PA | O2A | O3A | 137.9° | 120.0° |
| O1A | PA | O2A | PB | 44.5° | 45.0° |
| O1A | PA | O3A | H12 | 0.0° | 180.0° |
| O3B | PB | O2A | PA | 73.7° | 40.0° |
| O3B | PB | O2A | O1B | 123.0° | 120.0° |
| O3B | PB | O2A | O2B | 114.5° | 120.0° |
| O3B | PB | O1B | O2B | 124.2° | 120.0° |
| O3B | PB | O2B | H13 | 0.0° | 180.0° |
| O3B | PB | O1B | H14 | 0.0° | 60.0° |
| PA | O2A | PB | O1B | 163.2° | 160.0° |
| PA | O2A | PB | O2B | 40.8° | 80.0° |
| O2A | PA | O3A | H12 | 128.9° | 60.0° |
| PB | O2A | PA | O3A | 93.4° | 75.0° |
| O2A | PB | O1B | O2B | 121.1° | 119.9° |
| O2A | PB | O2B | H13 | 110.3° | 60.0° |
| O2A | PB | O1B | H14 | 114.8° | 180.0° |
| O1B | PB | O2B | H13 | 128.0° | 59.9° |
| O2B | PB | O1B | H14 | 124.2° | 60.0° |
| H6 | C1' | C2' | H7 | 30.6° | 163.6° |
| H6 | C1' | C2' | H8 | 153.2° | 39.0° |
| H9 | C4' | C5' | H10 | 174.3° | 61.0° |
| H9 | C4' | C5' | H11 | 52.9° | 59.0° |
