TLC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.47Å | |
| P | OP2 | sing | 1.61Å | 1.47Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.11Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.40Å | |
| C1' | N1 | sing | 1.47Å | 1.47Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N1 | C6 | sing | 1.37Å | 1.39Å | |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| C6 | C5 | doub | 1.35Å | 1.34Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C2 | O2 | doub | 1.22Å | 1.21Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| N3 | C4 | sing | 1.35Å | 1.39Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | C5 | sing | 1.42Å | 1.46Å | |
| C5 | C5M | sing | 1.51Å | 1.50Å | |
| C5M | H71 | sing | 1.09Å | 1.12Å | |
| C5M | H72 | sing | 1.09Å | 1.12Å | |
| C5M | H73 | sing | 1.09Å | 1.11Å | |
| C2' | O2L | sing | 1.46Å | 1.46Å | |
| C2' | C3' | sing | 1.55Å | 1.55Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2L | C2L | sing | 1.44Å | 1.46Å | |
| C3L | C2L | sing | 1.55Å | 1.48Å | |
| C3L | C3' | sing | 1.55Å | 1.58Å | |
| C3L | H3L1 | sing | 1.09Å | 1.11Å | |
| C3L | H3L2 | sing | 1.09Å | 1.12Å | |
| C2L | H2L1 | sing | 1.09Å | 1.11Å | |
| C2L | H2L2 | sing | 1.09Å | 1.12Å | |
| C3' | O3' | sing | 1.43Å | 1.45Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.9° | 109.4° |
| OP1 | P | OP3 | 99.4° | 109.5° |
| OP1 | P | O5' | 109.6° | 109.5° |
| OP2 | P | OP3 | 115.2° | 109.4° |
| OP2 | P | O5' | 106.6° | 109.5° |
| P | OP2 | HOP2 | 119.9° | 106.8° |
| OP3 | P | O5' | 105.2° | 109.5° |
| P | OP3 | HOP3 | 99.5° | 106.9° |
| P | O5' | C5' | 120.8° | 106.8° |
| O5' | C5' | C4' | 110.3° | 109.5° |
| O5' | C5' | H5' | 111.9° | 109.4° |
| O5' | C5' | H5'' | 111.9° | 109.5° |
| C4' | C5' | H5' | 111.9° | 109.5° |
| C4' | C5' | H5'' | 111.9° | 109.5° |
| C5' | C4' | O4' | 111.3° | 110.3° |
| C5' | C4' | C3' | 121.0° | 110.5° |
| C5' | C4' | H4' | 98.3° | 110.3° |
| H5' | C5' | H5'' | 98.5° | 109.4° |
| O4' | C4' | C3' | 105.6° | 105.1° |
| O4' | C4' | H4' | 115.9° | 110.3° |
| C4' | O4' | C1' | 105.6° | 105.2° |
| C3' | C4' | H4' | 105.0° | 110.2° |
| C4' | C3' | C2' | 104.2° | 104.1° |
| C4' | C3' | C3L | 115.8° | 108.9° |
| C4' | C3' | O3' | 105.2° | 112.8° |
| O4' | C1' | N1 | 108.3° | 110.4° |
| O4' | C1' | C2' | 105.9° | 104.9° |
| O4' | C1' | H1' | 115.4° | 110.4° |
| N1 | C1' | C2' | 116.9° | 110.4° |
| N1 | C1' | H1' | 104.1° | 110.3° |
| C1' | N1 | C6 | 121.5° | 119.6° |
| C1' | N1 | C2 | 116.9° | 119.7° |
| C2' | C1' | H1' | 106.6° | 110.3° |
| C1' | C2' | O2L | 111.8° | 108.5° |
| C1' | C2' | C3' | 102.5° | 103.6° |
| C1' | C2' | H2' | 111.1° | 113.1° |
| C6 | N1 | C2 | 121.6° | 120.7° |
| N1 | C6 | C5 | 123.2° | 119.6° |
| N1 | C6 | H6 | 120.3° | 120.2° |
| N1 | C2 | O2 | 122.2° | 119.5° |
| N1 | C2 | N3 | 115.1° | 121.0° |
| C5 | C6 | H6 | 116.5° | 120.2° |
| C6 | C5 | C4 | 118.3° | 119.1° |
| C6 | C5 | C5M | 122.7° | 120.4° |
| O2 | C2 | N3 | 122.7° | 119.5° |
| C2 | N3 | C4 | 126.3° | 120.2° |
| C2 | N3 | HN3 | 116.4° | 119.9° |
| C4 | N3 | HN3 | 117.4° | 119.9° |
| N3 | C4 | O4 | 119.9° | 120.3° |
| N3 | C4 | C5 | 115.5° | 119.4° |
| O4 | C4 | C5 | 124.6° | 120.3° |
| C4 | C5 | C5M | 119.0° | 120.4° |
| C5 | C5M | H71 | 122.7° | 109.4° |
| C5 | C5M | H72 | 107.5° | 109.5° |
| C5 | C5M | H73 | 107.5° | 109.5° |
| H71 | C5M | H72 | 107.5° | 109.4° |
| H71 | C5M | H73 | 107.6° | 109.5° |
| H72 | C5M | H73 | 102.3° | 109.5° |
| O2L | C2' | C3' | 105.1° | 105.9° |
| O2L | C2' | H2' | 108.8° | 112.0° |
| C2' | O2L | C2L | 105.9° | 107.4° |
| C3' | C2' | H2' | 117.3° | 113.1° |
| C2' | C3' | C3L | 104.8° | 104.7° |
| C2' | C3' | O3' | 117.1° | 112.9° |
| O2L | C2L | C3L | 106.8° | 103.5° |
| O2L | C2L | H2L1 | 113.2° | 110.6° |
| O2L | C2L | H2L2 | 113.2° | 110.6° |
| C2L | C3L | C3' | 97.1° | 102.2° |
| C2L | C3L | H3L1 | 117.0° | 110.9° |
| C2L | C3L | H3L2 | 116.9° | 110.9° |
| C3L | C2L | H2L1 | 113.2° | 110.6° |
| C3L | C2L | H2L2 | 113.2° | 110.7° |
| C3' | C3L | H3L1 | 117.0° | 110.9° |
| C3' | C3L | H3L2 | 117.0° | 110.8° |
| C3L | C3' | O3' | 110.1° | 112.7° |
| H3L1 | C3L | H3L2 | 93.4° | 110.9° |
| H2L1 | C2L | H2L2 | 97.2° | 110.6° |
| C3' | O3' | HO3' | 105.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 118.7° | 120.0° |
| OP1 | P | OP2 | O5' | 125.1° | 120.0° |
| OP1 | P | OP3 | O5' | 113.4° | 120.1° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O5' | C5' | 29.3° | 60.0° |
| OP2 | P | OP3 | O5' | 117.0° | 120.0° |
| OP2 | P | OP3 | HOP3 | 50.5° | 60.0° |
| OP2 | P | O5' | C5' | 160.5° | 180.0° |
| OP3 | P | OP2 | HOP2 | 61.3° | 60.0° |
| OP3 | P | O5' | C5' | 76.7° | 60.1° |
| O5' | P | OP2 | HOP2 | 54.9° | 180.0° |
| O5' | P | OP3 | HOP3 | 66.6° | 59.9° |
| P | O5' | C5' | C4' | 171.0° | 180.0° |
| P | O5' | C5' | H5' | 63.7° | 60.0° |
| P | O5' | C5' | H5'' | 45.8° | 59.9° |
| O5' | C5' | C4' | H5' | 125.3° | 119.9° |
| O5' | C5' | C4' | H5'' | 125.2° | 120.1° |
| O5' | C5' | H5' | H5'' | 117.8° | 120.0° |
| O5' | C5' | C4' | O4' | 60.8° | 66.9° |
| O5' | C5' | C4' | C3' | 64.1° | 177.3° |
| O5' | C5' | C4' | H4' | 177.2° | 55.2° |
| C4' | C5' | H5' | H5'' | 117.8° | 120.0° |
| C5' | C4' | O4' | C3' | 133.1° | 119.1° |
| C5' | C4' | O4' | H4' | 111.2° | 122.1° |
| C5' | C4' | C3' | H4' | 109.5° | 122.2° |
| C5' | C4' | O4' | C1' | 169.4° | 159.2° |
| C5' | C4' | C3' | C2' | 143.9° | 141.6° |
| C5' | C4' | C3' | C3L | 29.4° | 30.4° |
| C5' | C4' | C3' | O3' | 92.3° | 95.6° |
| H5' | C5' | C4' | O4' | 174.0° | 173.1° |
| H5' | C5' | C4' | C3' | 61.2° | 57.4° |
| H5' | C5' | C4' | H4' | 51.9° | 64.8° |
| H5'' | C5' | C4' | O4' | 64.4° | 53.2° |
| H5'' | C5' | C4' | C3' | 170.7° | 62.6° |
| H5'' | C5' | C4' | H4' | 57.6° | 175.3° |
| O4' | C4' | C3' | H4' | 123.0° | 118.9° |
| C4' | O4' | C1' | N1 | 167.7° | 160.1° |
| C4' | O4' | C1' | C2' | 41.6° | 41.2° |
| C4' | O4' | C1' | H1' | 76.1° | 77.7° |
| O4' | C4' | C3' | C2' | 16.4° | 22.7° |
| O4' | C4' | C3' | C3L | 98.1° | 88.6° |
| O4' | C4' | C3' | O3' | 140.2° | 145.4° |
| C3' | C4' | O4' | C1' | 36.3° | 40.1° |
| C4' | C3' | C2' | C1' | 7.2° | 1.6° |
| C4' | C3' | C2' | O2L | 109.8° | 112.5° |
| C4' | C3' | C2' | C3L | 122.1° | 114.3° |
| C4' | C3' | C2' | O3' | 115.7° | 122.7° |
| C4' | C3' | C2' | H2' | 129.2° | 124.4° |
| C4' | C3' | C3L | C2L | 80.3° | 132.1° |
| C4' | C3' | C3L | O3' | 119.1° | 126.0° |
| C4' | C3' | C3L | H3L1 | 154.5° | 13.9° |
| C4' | C3' | C3L | H3L2 | 44.9° | 109.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 60.9° |
| H4' | C4' | O4' | C1' | 79.4° | 78.7° |
| H4' | C4' | C3' | C2' | 106.6° | 96.2° |
| H4' | C4' | C3' | C3L | 138.9° | 152.5° |
| H4' | C4' | C3' | O3' | 17.2° | 26.5° |
| O4' | C1' | N1 | C2' | 119.5° | 115.5° |
| O4' | C1' | N1 | H1' | 123.3° | 122.3° |
| O4' | C1' | C2' | H1' | 123.4° | 118.9° |
| O4' | C1' | N1 | C6 | 49.1° | 24.5° |
| O4' | C1' | N1 | C2 | 129.0° | 155.4° |
| O4' | C1' | C2' | O2L | 82.5° | 86.9° |
| O4' | C1' | C2' | C3' | 29.6° | 25.4° |
| O4' | C1' | C2' | H2' | 155.7° | 148.2° |
| N1 | C1' | C2' | H1' | 115.8° | 122.2° |
| C1' | N1 | C6 | C2 | 178.1° | 179.9° |
| C1' | N1 | C6 | C5 | 176.2° | 180.0° |
| C1' | N1 | C6 | H6 | 3.8° | 0.0° |
| C1' | N1 | C2 | O2 | 3.0° | 0.0° |
| C1' | N1 | C2 | N3 | 176.6° | 180.0° |
| N1 | C1' | C2' | O2L | 38.2° | 32.1° |
| N1 | C1' | C2' | C3' | 150.3° | 144.3° |
| N1 | C1' | C2' | H2' | 83.6° | 92.9° |
| C2' | C1' | N1 | C6 | 70.3° | 90.9° |
| C2' | C1' | N1 | C2 | 111.5° | 89.1° |
| C1' | C2' | O2L | C3' | 110.4° | 110.7° |
| C1' | C2' | O2L | H2' | 123.1° | 125.5° |
| C1' | C2' | C3' | H2' | 122.0° | 122.8° |
| C1' | C2' | O2L | C2L | 95.2° | 137.3° |
| C1' | C2' | C3' | C3L | 129.2° | 115.9° |
| C1' | C2' | C3' | O3' | 108.5° | 121.1° |
| H1' | C1' | N1 | C6 | 172.5° | 146.8° |
| H1' | C1' | N1 | C2 | 5.7° | 33.1° |
| H1' | C1' | C2' | O2L | 154.1° | 154.3° |
| H1' | C1' | C2' | C3' | 93.9° | 93.5° |
| H1' | C1' | C2' | H2' | 32.2° | 29.3° |
| N1 | C6 | C5 | H6 | 179.9° | 180.0° |
| C6 | N1 | C2 | O2 | 178.8° | 180.0° |
| C6 | N1 | C2 | N3 | 1.5° | 0.0° |
| N1 | C6 | C5 | C4 | 0.7° | 0.3° |
| N1 | C6 | C5 | C5M | 179.5° | 180.0° |
| C2 | N1 | C6 | C5 | 2.0° | 0.0° |
| C2 | N1 | C6 | H6 | 178.1° | 180.0° |
| N1 | C2 | O2 | N3 | 179.6° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.3° |
| N1 | C2 | N3 | HN3 | 180.0° | 180.0° |
| C6 | C5 | C4 | N3 | 0.8° | 0.5° |
| C6 | C5 | C4 | O4 | 178.3° | 180.0° |
| C6 | C5 | C4 | C5M | 179.9° | 179.7° |
| C6 | C5 | C5M | H71 | 180.0° | 180.0° |
| C6 | C5 | C5M | H72 | 54.8° | 60.1° |
| C6 | C5 | C5M | H73 | 54.7° | 60.0° |
| H6 | C6 | C5 | C4 | 179.4° | 179.8° |
| H6 | C6 | C5 | C5M | 0.5° | 0.0° |
| O2 | C2 | N3 | C4 | 179.6° | 179.7° |
| O2 | C2 | N3 | HN3 | 0.3° | 0.0° |
| C2 | N3 | C4 | HN3 | 179.9° | 179.7° |
| C2 | N3 | C4 | O4 | 178.0° | 180.0° |
| C2 | N3 | C4 | C5 | 1.2° | 0.5° |
| N3 | C4 | O4 | C5 | 179.1° | 179.5° |
| N3 | C4 | C5 | C5M | 179.1° | 179.8° |
| HN3 | N3 | C4 | O4 | 1.9° | 0.2° |
| HN3 | N3 | C4 | C5 | 178.8° | 179.8° |
| O4 | C4 | C5 | C5M | 1.8° | 0.2° |
| C4 | C5 | C5M | H71 | 0.1° | 0.3° |
| C4 | C5 | C5M | H72 | 125.3° | 119.7° |
| C4 | C5 | C5M | H73 | 125.1° | 120.2° |
| C5 | C5M | H71 | H72 | 125.2° | 119.9° |
| C5 | C5M | H71 | H73 | 125.3° | 120.0° |
| C5 | C5M | H72 | H73 | 113.0° | 120.0° |
| H71 | C5M | H72 | H73 | 113.1° | 120.0° |
| O2L | C2' | C3' | H2' | 121.0° | 123.1° |
| C2' | O2L | C2L | C3L | 40.2° | 40.6° |
| O2L | C2' | C3' | C3L | 12.3° | 1.8° |
| C2' | O2L | C2L | H2L1 | 165.5° | 159.1° |
| C2' | O2L | C2L | H2L2 | 85.0° | 77.9° |
| O2L | C2' | C3' | O3' | 134.5° | 124.8° |
| C3' | C2' | O2L | C2L | 15.3° | 26.6° |
| C2' | C3' | C3L | C2L | 33.9° | 21.2° |
| C2' | C3' | C3L | O3' | 126.8° | 123.1° |
| C2' | C3' | C3L | H3L1 | 91.4° | 97.0° |
| C2' | C3' | C3L | H3L2 | 159.1° | 139.4° |
| C2' | C3' | O3' | HO3' | 64.8° | 178.6° |
| H2' | C2' | O2L | C2L | 141.7° | 97.2° |
| H2' | C2' | C3' | C3L | 108.7° | 121.3° |
| H2' | C2' | C3' | O3' | 13.5° | 1.7° |
| O2L | C2L | C3L | H2L1 | 125.3° | 118.5° |
| O2L | C2L | C3L | H2L2 | 125.2° | 118.5° |
| O2L | C2L | C3L | C3' | 45.0° | 37.5° |
| O2L | C2L | C3L | H3L1 | 80.3° | 80.7° |
| O2L | C2L | C3L | H3L2 | 170.2° | 155.6° |
| O2L | C2L | H2L1 | H2L2 | 119.1° | 123.0° |
| C2L | C3L | C3' | H3L1 | 125.2° | 118.2° |
| C2L | C3L | C3' | H3L2 | 125.2° | 118.1° |
| C2L | C3L | H3L1 | H3L2 | 122.7° | 123.7° |
| C3L | C2L | H2L1 | H2L2 | 119.2° | 123.0° |
| C2L | C3L | C3' | O3' | 160.6° | 101.8° |
| C3' | C3L | H3L1 | H3L2 | 122.8° | 123.6° |
| C3' | C3L | C2L | H2L1 | 170.3° | 156.0° |
| C3' | C3L | C2L | H2L2 | 80.3° | 81.0° |
| C3L | C3' | O3' | HO3' | 54.6° | 63.0° |
| H3L1 | C3L | C2L | H2L1 | 45.0° | 37.8° |
| H3L1 | C3L | C2L | H2L2 | 154.5° | 160.8° |
| H3L1 | C3L | C3' | O3' | 35.4° | 140.0° |
| H3L2 | C3L | C2L | H2L1 | 64.5° | 85.9° |
| H3L2 | C3L | C2L | H2L2 | 45.0° | 37.1° |
| H3L2 | C3L | C3' | O3' | 74.2° | 16.3° |
