TLB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P | doub | 1.50Å | 1.48Å | |
| P | O1P | sing | 1.62Å | 1.48Å | |
| P | O3P | sing | 1.62Å | 10.63Å | |
| P | O5' | sing | 1.62Å | 1.61Å | |
| O1P | H1P | sing | 0.98Å | 0.99Å | |
| O3P | H3P | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.41Å | |
| C5' | C4' | sing | 1.52Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.09Å | |
| C5' | H5'2 | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.43Å | 1.42Å | |
| C4' | C3' | sing | 1.52Å | 1.54Å | |
| C4' | H3 | sing | 1.10Å | 1.11Å | |
| O4' | C1' | sing | 1.43Å | 1.41Å | |
| C3' | O3' | sing | 1.44Å | 1.43Å | |
| C3' | C2' | sing | 1.53Å | 1.53Å | |
| C3' | C9' | sing | 1.54Å | 1.54Å | |
| O3' | H3' | sing | 0.97Å | 0.99Å | |
| C2' | O2' | sing | 1.45Å | 1.42Å | |
| C2' | C1' | sing | 1.51Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.08Å | |
| O2' | C9' | sing | 1.44Å | 1.41Å | |
| C1' | N1 | sing | 1.43Å | 1.48Å | |
| C1' | H1' | sing | 1.10Å | 1.09Å | |
| N1 | C2 | sing | 1.42Å | 1.40Å | |
| N1 | C6 | sing | 1.39Å | 1.37Å | |
| C2 | O2 | doub | 1.23Å | 1.23Å | |
| C2 | N3 | sing | 1.40Å | 1.39Å | |
| N3 | C4 | sing | 1.39Å | 1.39Å | |
| N3 | HB | sing | 1.02Å | 1.01Å | |
| C4 | O4 | doub | 1.23Å | 1.23Å | |
| C4 | C5 | sing | 1.49Å | 1.46Å | |
| C5 | C5M | sing | 1.50Å | 1.52Å | |
| C5 | C6 | doub | 1.34Å | 1.36Å | |
| C5M | H6 | sing | 1.09Å | 1.10Å | |
| C5M | H5M1 | sing | 1.09Å | 1.09Å | |
| C5M | H5M2 | sing | 1.09Å | 1.09Å | |
| C6 | HA | sing | 1.09Å | 1.08Å | |
| C9' | H9'1 | sing | 1.09Å | 1.08Å | |
| C9' | H9'2 | sing | 1.10Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2P | P | O1P | 119.6° | 115.3° |
| O2P | P | O3P | 141.8° | 115.0° |
| O2P | P | O5' | 108.3° | 115.0° |
| O1P | P | O3P | 95.6° | 103.3° |
| O1P | P | O5' | 108.0° | 103.8° |
| P | O1P | H1P | 109.5° | 118.9° |
| O3P | P | O5' | 41.2° | 102.8° |
| P | O3P | H3P | 141.8° | 118.9° |
| P | O5' | C5' | 121.6° | 118.4° |
| O5' | C5' | C4' | 112.5° | 109.0° |
| O5' | C5' | H5'1 | 108.9° | 108.9° |
| O5' | C5' | H5'2 | 109.3° | 108.8° |
| C4' | C5' | H5'1 | 108.2° | 110.5° |
| C4' | C5' | H5'2 | 109.2° | 110.4° |
| C5' | C4' | O4' | 111.3° | 110.2° |
| C5' | C4' | C3' | 117.8° | 113.4° |
| C5' | C4' | H3 | 101.4° | 109.1° |
| H5'1 | C5' | H5'2 | 108.7° | 109.2° |
| O4' | C4' | C3' | 107.3° | 106.3° |
| O4' | C4' | H3 | 113.2° | 107.2° |
| C4' | O4' | C1' | 106.3° | 104.9° |
| C3' | C4' | H3 | 105.9° | 110.4° |
| C4' | C3' | O3' | 111.5° | 111.1° |
| C4' | C3' | C2' | 101.0° | 103.5° |
| C4' | C3' | C9' | 119.5° | 121.6° |
| O4' | C1' | C2' | 104.9° | 106.1° |
| O4' | C1' | N1 | 112.2° | 110.5° |
| O4' | C1' | H1' | 108.4° | 109.5° |
| O3' | C3' | C2' | 117.2° | 116.9° |
| O3' | C3' | C9' | 119.1° | 115.8° |
| C3' | O3' | H3' | 109.5° | 105.9° |
| C2' | C3' | C9' | 84.1° | 84.7° |
| C3' | C2' | O2' | 91.4° | 91.7° |
| C3' | C2' | C1' | 106.6° | 104.6° |
| C3' | C2' | H2' | 115.4° | 117.0° |
| C3' | C9' | O2' | 91.2° | 91.7° |
| C3' | C9' | H9'1 | 114.6° | 117.0° |
| C3' | C9' | H9'2 | 113.9° | 115.3° |
| O2' | C2' | C1' | 117.2° | 113.2° |
| O2' | C2' | H2' | 112.7° | 111.4° |
| C2' | O2' | C9' | 93.2° | 91.0° |
| C1' | C2' | H2' | 111.8° | 116.4° |
| C2' | C1' | N1 | 112.6° | 109.6° |
| C2' | C1' | H1' | 108.5° | 112.2° |
| O2' | C9' | H9'1 | 112.0° | 111.7° |
| O2' | C9' | H9'2 | 111.6° | 111.1° |
| N1 | C1' | H1' | 110.0° | 109.0° |
| C1' | N1 | C2 | 119.1° | 121.4° |
| C1' | N1 | C6 | 119.8° | 118.7° |
| C2 | N1 | C6 | 121.1° | 119.9° |
| N1 | C2 | O2 | 123.6° | 123.6° |
| N1 | C2 | N3 | 116.0° | 115.3° |
| N1 | C6 | C5 | 122.0° | 124.7° |
| N1 | C6 | HA | 116.7° | 114.5° |
| O2 | C2 | N3 | 120.4° | 121.1° |
| C2 | N3 | C4 | 126.2° | 127.0° |
| C2 | N3 | HB | 116.1° | 116.4° |
| C4 | N3 | HB | 117.7° | 116.6° |
| N3 | C4 | O4 | 119.6° | 123.6° |
| N3 | C4 | C5 | 114.3° | 114.8° |
| O4 | C4 | C5 | 126.2° | 121.6° |
| C4 | C5 | C5M | 120.2° | 118.0° |
| C4 | C5 | C6 | 120.4° | 118.4° |
| C5M | C5 | C6 | 119.5° | 123.6° |
| C5 | C5M | H6 | 109.0° | 109.7° |
| C5 | C5M | H5M1 | 110.3° | 109.7° |
| C5 | C5M | H5M2 | 109.4° | 109.8° |
| C5 | C6 | HA | 121.3° | 120.8° |
| H6 | C5M | H5M1 | 109.0° | 109.3° |
| H6 | C5M | H5M2 | 109.9° | 109.3° |
| H5M1 | C5M | H5M2 | 109.3° | 108.9° |
| H9'1 | C9' | H9'2 | 111.9° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P | O1P | O3P | 164.7° | 126.3° |
| O2P | P | O1P | O5' | 124.5° | 126.7° |
| O2P | P | O3P | O5' | 47.2° | 125.8° |
| O2P | P | O1P | H1P | 167.1° | 48.8° |
| O2P | P | O3P | H3P | 180.0° | 48.1° |
| O2P | P | O5' | C5' | 37.6° | 180.0° |
| O1P | P | O3P | O5' | 111.1° | 107.7° |
| O1P | P | O3P | H3P | 21.7° | 78.4° |
| O1P | P | O5' | C5' | 168.6° | 53.1° |
| O3P | P | O1P | H1P | 28.2° | 77.5° |
| O3P | P | O5' | C5' | 113.9° | 54.3° |
| O5' | P | O1P | H1P | 68.4° | 175.5° |
| O5' | P | O3P | H3P | 132.8° | 173.8° |
| P | O5' | C5' | C4' | 168.7° | 180.0° |
| P | O5' | C5' | H5'1 | 48.8° | 59.4° |
| P | O5' | C5' | H5'2 | 69.8° | 59.5° |
| O5' | C5' | C4' | H5'1 | 120.3° | 119.6° |
| O5' | C5' | C4' | H5'2 | 121.6° | 119.5° |
| O5' | C5' | H5'1 | H5'2 | 119.0° | 118.7° |
| O5' | C5' | C4' | O4' | 59.3° | 179.5° |
| O5' | C5' | C4' | C3' | 65.1° | 60.4° |
| O5' | C5' | C4' | H3 | 179.9° | 63.1° |
| C4' | C5' | H5'1 | H5'2 | 118.5° | 121.7° |
| C5' | C4' | O4' | C3' | 130.2° | 123.3° |
| C5' | C4' | O4' | H3 | 113.4° | 118.6° |
| C5' | C4' | C3' | H3 | 112.4° | 122.8° |
| C5' | C4' | O4' | C1' | 168.3° | 160.7° |
| C5' | C4' | C3' | O3' | 84.8° | 90.5° |
| C5' | C4' | C3' | C2' | 150.0° | 143.3° |
| C5' | C4' | C3' | C9' | 60.6° | 51.2° |
| H5'1 | C5' | C4' | O4' | 61.0° | 60.9° |
| H5'1 | C5' | C4' | C3' | 174.6° | 180.0° |
| H5'1 | C5' | C4' | H3 | 59.7° | 56.5° |
| H5'2 | C5' | C4' | O4' | 179.1° | 60.0° |
| H5'2 | C5' | C4' | C3' | 56.5° | 59.1° |
| H5'2 | C5' | C4' | H3 | 58.4° | 177.4° |
| O4' | C4' | C3' | H3 | 121.1° | 116.0° |
| O4' | C4' | C3' | O3' | 148.8° | 148.3° |
| O4' | C4' | C3' | C2' | 23.5° | 22.1° |
| O4' | C4' | C3' | C9' | 65.9° | 70.0° |
| C4' | O4' | C1' | C2' | 35.6° | 37.6° |
| C4' | O4' | C1' | N1 | 158.2° | 156.3° |
| C4' | O4' | C1' | H1' | 80.1° | 83.7° |
| C3' | C4' | O4' | C1' | 38.1° | 37.4° |
| C4' | C3' | O3' | C2' | 115.7° | 118.4° |
| C4' | C3' | O3' | C9' | 145.5° | 144.1° |
| C4' | C3' | C2' | C9' | 118.9° | 121.2° |
| C4' | C3' | O3' | H3' | 73.8° | 174.2° |
| C4' | C3' | C2' | O2' | 120.9° | 114.1° |
| C4' | C3' | C2' | C1' | 2.0° | 0.4° |
| C4' | C3' | C2' | H2' | 122.9° | 130.8° |
| C4' | C3' | C9' | O2' | 101.3° | 95.4° |
| C4' | C3' | C9' | H9'1 | 143.8° | 20.0° |
| C4' | C3' | C9' | H9'2 | 13.0° | 150.3° |
| H3 | C4' | O4' | C1' | 78.3° | 80.8° |
| H3 | C4' | C3' | O3' | 27.6° | 32.3° |
| H3 | C4' | C3' | C2' | 97.6° | 94.0° |
| H3 | C4' | C3' | C9' | 173.0° | 174.0° |
| O4' | C1' | C2' | C3' | 19.9° | 22.9° |
| O4' | C1' | C2' | O2' | 80.6° | 75.5° |
| O4' | C1' | C2' | N1 | 122.3° | 119.3° |
| O4' | C1' | C2' | H1' | 115.7° | 119.5° |
| O4' | C1' | C2' | H2' | 147.0° | 153.7° |
| O4' | C1' | N1 | H1' | 120.8° | 120.4° |
| O4' | C1' | N1 | C2 | 136.5° | 150.5° |
| O4' | C1' | N1 | C6 | 43.6° | 29.6° |
| O3' | C3' | C2' | C9' | 119.7° | 116.3° |
| O3' | C3' | C2' | O2' | 117.7° | 123.4° |
| O3' | C3' | C2' | C1' | 123.3° | 122.1° |
| O3' | C3' | C2' | H2' | 1.6° | 8.4° |
| O3' | C3' | C9' | O2' | 115.9° | 124.6° |
| O3' | C3' | C9' | H9'1 | 1.0° | 120.0° |
| O3' | C3' | C9' | H9'2 | 129.8° | 10.2° |
| C2' | C3' | O3' | H3' | 41.9° | 67.4° |
| C3' | C2' | O2' | C1' | 109.6° | 106.7° |
| C3' | C2' | O2' | H2' | 118.5° | 119.9° |
| C3' | C2' | C1' | H2' | 127.1° | 130.8° |
| C2' | C3' | C9' | O2' | 2.0° | 7.2° |
| C3' | C2' | C1' | N1 | 142.2° | 142.2° |
| C3' | C2' | C1' | H1' | 95.8° | 96.7° |
| C2' | C3' | C9' | H9'1 | 116.9° | 122.6° |
| C2' | C3' | C9' | H9'2 | 112.3° | 107.1° |
| C9' | C3' | O3' | H3' | 140.7° | 30.1° |
| C9' | C3' | C2' | C1' | 117.0° | 121.6° |
| C9' | C3' | C2' | H2' | 118.1° | 107.9° |
| C3' | C9' | O2' | H9'1 | 117.2° | 120.0° |
| C3' | C9' | O2' | H9'2 | 116.4° | 118.0° |
| C3' | C9' | H9'1 | H9'2 | 131.7° | 133.1° |
| O2' | C2' | C1' | H2' | 132.4° | 130.9° |
| O2' | C2' | C1' | N1 | 41.7° | 43.8° |
| O2' | C2' | C1' | H1' | 163.6° | 165.0° |
| C2' | O2' | C9' | H9'1 | 119.4° | 127.5° |
| C2' | O2' | C9' | H9'2 | 114.2° | 110.5° |
| C1' | C2' | O2' | C9' | 107.4° | 114.3° |
| C2' | C1' | N1 | H1' | 121.1° | 123.1° |
| C2' | C1' | N1 | C2 | 105.4° | 93.0° |
| C2' | C1' | N1 | C6 | 74.5° | 86.9° |
| H2' | C2' | O2' | C9' | 120.6° | 112.4° |
| H2' | C2' | C1' | N1 | 90.7° | 87.0° |
| H2' | C2' | C1' | H1' | 31.2° | 34.1° |
| O2' | C9' | H9'1 | H9'2 | 126.2° | 123.1° |
| C1' | N1 | C2 | C6 | 179.9° | 179.9° |
| C1' | N1 | C2 | O2 | 2.3° | 0.1° |
| C1' | N1 | C2 | N3 | 177.6° | 180.0° |
| C1' | N1 | C6 | C5 | 177.7° | 179.9° |
| C1' | N1 | C6 | HA | 2.7° | 0.0° |
| H1' | C1' | N1 | C2 | 15.7° | 30.1° |
| H1' | C1' | N1 | C6 | 164.4° | 150.0° |
| N1 | C2 | O2 | N3 | 179.8° | 180.0° |
| N1 | C2 | N3 | C4 | 0.9° | 0.0° |
| N1 | C2 | N3 | HB | 178.6° | 180.0° |
| C2 | N1 | C6 | C5 | 2.4° | 0.0° |
| C2 | N1 | C6 | HA | 177.1° | 179.9° |
| C6 | N1 | C2 | O2 | 177.6° | 180.0° |
| C6 | N1 | C2 | N3 | 2.6° | 0.0° |
| N1 | C6 | C5 | C4 | 0.4° | 0.0° |
| N1 | C6 | C5 | C5M | 179.6° | 180.0° |
| N1 | C6 | C5 | HA | 179.5° | 180.0° |
| O2 | C2 | N3 | C4 | 179.3° | 180.0° |
| O2 | C2 | N3 | HB | 1.2° | 0.0° |
| C2 | N3 | C4 | HB | 179.5° | 180.0° |
| C2 | N3 | C4 | O4 | 178.8° | 180.0° |
| C2 | N3 | C4 | C5 | 1.0° | 0.0° |
| N3 | C4 | O4 | C5 | 179.7° | 180.0° |
| N3 | C4 | C5 | C5M | 178.8° | 180.0° |
| N3 | C4 | C5 | C6 | 1.2° | 0.0° |
| HB | N3 | C4 | O4 | 0.7° | 0.1° |
| HB | N3 | C4 | C5 | 179.6° | 180.0° |
| O4 | C4 | C5 | C5M | 1.5° | 0.0° |
| O4 | C4 | C5 | C6 | 178.5° | 179.9° |
| C4 | C5 | C5M | C6 | 180.0° | 180.0° |
| C4 | C5 | C5M | H6 | 36.7° | 53.3° |
| C4 | C5 | C5M | H5M1 | 156.2° | 173.5° |
| C4 | C5 | C5M | H5M2 | 83.5° | 66.8° |
| C4 | C5 | C6 | HA | 179.1° | 180.0° |
| C5 | C5M | H6 | H5M1 | 120.4° | 120.4° |
| C5 | C5M | H6 | H5M2 | 119.8° | 120.5° |
| C5 | C5M | H5M1 | H5M2 | 120.3° | 120.2° |
| C5M | C5 | C6 | HA | 0.8° | 0.0° |
| C6 | C5 | C5M | H6 | 143.4° | 126.7° |
| C6 | C5 | C5M | H5M1 | 23.8° | 6.5° |
| C6 | C5 | C5M | H5M2 | 96.4° | 113.1° |
| H6 | C5M | H5M1 | H5M2 | 120.1° | 119.4° |
