HTL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1' | C2' | doub | 1.35Å | 1.47Å | Aromatic |
| N1' | C6' | sing | 1.35Å | 1.48Å | Aromatic |
| C2' | C2A | sing | 1.49Å | 1.39Å | |
| C2' | N3' | sing | 1.35Å | 1.42Å | Aromatic |
| C2A | H2A1 | sing | 1.10Å | 1.11Å | |
| C2A | H2A2 | sing | 1.10Å | 1.12Å | |
| C2A | H2A3 | sing | 1.10Å | 1.11Å | |
| N3' | C4' | doub | 1.35Å | 1.47Å | Aromatic |
| C4' | N4' | sing | 1.42Å | 1.45Å | |
| C4' | C5' | sing | 1.37Å | 1.56Å | Aromatic |
| N4' | H4'1 | sing | 1.00Å | 1.02Å | |
| N4' | H4'2 | sing | 1.00Å | 1.02Å | |
| C5' | C6' | doub | 1.37Å | 1.41Å | Aromatic |
| C5' | C35 | sing | 1.50Å | 1.51Å | |
| C6' | H6' | sing | 1.09Å | 1.10Å | |
| C35 | N3 | sing | 1.45Å | 1.45Å | |
| C35 | H351 | sing | 1.10Å | 1.11Å | |
| C35 | H352 | sing | 1.10Å | 1.12Å | |
| N3 | C2 | doub | 1.31Å | 1.51Å | Aromatic |
| N3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | S1 | sing | 1.71Å | 1.62Å | Aromatic |
| C2 | C1' | sing | 1.42Å | 1.97Å | |
| S1 | C5 | sing | 1.71Å | 1.77Å | Aromatic |
| C5 | C4 | doub | 1.36Å | 1.33Å | Aromatic |
| C5 | C5A | sing | 1.50Å | 1.52Å | |
| C4 | C4A | sing | 1.47Å | 1.42Å | |
| C4A | H4A1 | sing | 1.10Å | 1.12Å | |
| C4A | H4A2 | sing | 1.11Å | 1.11Å | |
| C4A | H4A3 | sing | 1.11Å | 1.11Å | |
| C5A | C5B | sing | 1.53Å | 1.52Å | |
| C5A | H5A1 | sing | 1.10Å | 1.11Å | |
| C5A | H5A2 | sing | 1.10Å | 1.12Å | |
| C5B | O5G | sing | 1.42Å | 1.51Å | |
| C5B | H5B1 | sing | 1.09Å | 1.12Å | |
| C5B | H5B2 | sing | 1.09Å | 1.11Å | |
| O5G | P1 | sing | 1.62Å | 1.56Å | |
| P1 | O11 | sing | 1.62Å | 1.57Å | |
| P1 | O12 | doub | 1.50Å | 1.48Å | |
| P1 | O13 | sing | 1.62Å | 1.45Å | |
| O11 | P2 | sing | 1.62Å | 1.67Å | |
| P2 | O21 | doub | 1.50Å | 1.52Å | |
| P2 | O22 | sing | 1.62Å | 1.45Å | |
| P2 | O23 | sing | 1.62Å | 1.55Å | |
| O22 | H22O | sing | 0.98Å | 0.95Å | |
| O23 | H23O | sing | 0.98Å | 0.95Å | |
| C1' | O2' | doub | 1.25Å | 1.24Å | |
| C1' | C3' | sing | 1.52Å | 1.57Å | |
| C3' | H3'1 | sing | 1.10Å | 1.11Å | |
| C3' | H3'2 | sing | 1.10Å | 1.11Å | |
| C3' | H3'3 | sing | 1.10Å | 1.12Å | |
| HO1 | O13 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | N1' | C6' | 118.8° | 114.9° |
| N1' | C2' | C2A | 121.4° | 116.5° |
| N1' | C2' | N3' | 120.9° | 127.0° |
| N1' | C6' | C5' | 123.8° | 123.1° |
| N1' | C6' | H6' | 120.9° | 114.7° |
| C2A | C2' | N3' | 117.7° | 116.6° |
| C2' | C2A | H2A1 | 121.4° | 110.4° |
| C2' | C2A | H2A2 | 108.0° | 111.3° |
| C2' | C2A | H2A3 | 108.0° | 111.3° |
| C2' | N3' | C4' | 120.4° | 115.0° |
| H2A1 | C2A | H2A2 | 107.9° | 108.4° |
| H2A1 | C2A | H2A3 | 108.0° | 108.4° |
| H2A2 | C2A | H2A3 | 101.9° | 106.8° |
| N3' | C4' | N4' | 115.8° | 118.0° |
| N3' | C4' | C5' | 120.2° | 123.2° |
| N4' | C4' | C5' | 124.0° | 118.8° |
| C4' | N4' | H4'1 | 115.8° | 118.9° |
| C4' | N4' | H4'2 | 109.9° | 118.9° |
| C4' | C5' | C6' | 115.8° | 116.9° |
| C4' | C5' | C35 | 122.4° | 123.0° |
| H4'1 | N4' | H4'2 | 110.0° | 121.9° |
| C6' | C5' | C35 | 121.8° | 120.1° |
| C5' | C6' | H6' | 115.3° | 122.1° |
| C5' | C35 | N3 | 111.0° | 109.7° |
| C5' | C35 | H351 | 111.6° | 110.9° |
| C5' | C35 | H352 | 111.6° | 110.9° |
| N3 | C35 | H351 | 111.6° | 109.4° |
| N3 | C35 | H352 | 111.6° | 109.4° |
| C35 | N3 | C2 | 123.8° | 122.0° |
| C35 | N3 | C4 | 118.6° | 122.8° |
| H351 | C35 | H352 | 98.8° | 106.4° |
| C2 | N3 | C4 | 110.1° | 115.1° |
| N3 | C2 | S1 | 106.0° | 111.2° |
| N3 | C2 | C1' | 125.6° | 127.5° |
| N3 | C4 | C5 | 109.0° | 111.4° |
| N3 | C4 | C4A | 131.6° | 118.4° |
| S1 | C2 | C1' | 113.6° | 121.2° |
| C2 | S1 | C5 | 88.9° | 90.7° |
| C2 | C1' | O2' | 122.9° | 126.1° |
| C2 | C1' | C3' | 118.9° | 118.6° |
| S1 | C5 | C4 | 106.0° | 111.6° |
| S1 | C5 | C5A | 102.9° | 119.3° |
| C4 | C5 | C5A | 113.3° | 129.1° |
| C5 | C4 | C4A | 119.2° | 130.2° |
| C5 | C5A | C5B | 98.6° | 112.8° |
| C5 | C5A | H5A1 | 116.4° | 109.5° |
| C5 | C5A | H5A2 | 116.4° | 109.1° |
| C4 | C4A | H4A1 | 131.6° | 111.4° |
| C4 | C4A | H4A2 | 104.6° | 112.2° |
| C4 | C4A | H4A3 | 104.5° | 112.3° |
| H4A1 | C4A | H4A2 | 104.5° | 107.4° |
| H4A1 | C4A | H4A3 | 104.5° | 107.4° |
| H4A2 | C4A | H4A3 | 104.5° | 105.8° |
| C5B | C5A | H5A1 | 116.4° | 109.6° |
| C5B | C5A | H5A2 | 116.4° | 109.0° |
| C5A | C5B | O5G | 126.0° | 109.8° |
| C5A | C5B | H5B1 | 106.4° | 109.8° |
| C5A | C5B | H5B2 | 106.4° | 111.9° |
| H5A1 | C5A | H5A2 | 94.0° | 106.6° |
| O5G | C5B | H5B1 | 106.4° | 107.8° |
| O5G | C5B | H5B2 | 106.4° | 108.8° |
| C5B | O5G | P1 | 132.0° | 120.0° |
| H5B1 | C5B | H5B2 | 103.1° | 108.8° |
| O5G | P1 | O11 | 98.6° | 104.6° |
| O5G | P1 | O12 | 114.2° | 114.7° |
| O5G | P1 | O13 | 104.5° | 104.5° |
| O11 | P1 | O12 | 110.7° | 114.2° |
| O11 | P1 | O13 | 107.9° | 103.3° |
| P1 | O11 | P2 | 133.4° | 131.0° |
| O12 | P1 | O13 | 118.8° | 114.3° |
| P1 | O13 | HO1 | 109.5° | 118.9° |
| O11 | P2 | O21 | 106.8° | 114.6° |
| O11 | P2 | O22 | 105.5° | 103.1° |
| O11 | P2 | O23 | 101.4° | 103.4° |
| O21 | P2 | O22 | 122.0° | 115.2° |
| O21 | P2 | O23 | 107.5° | 115.3° |
| O22 | P2 | O23 | 111.5° | 103.6° |
| P2 | O22 | H22O | 105.5° | 118.9° |
| P2 | O23 | H23O | 101.3° | 119.0° |
| O2' | C1' | C3' | 117.6° | 115.3° |
| C1' | C3' | H3'1 | 118.9° | 113.2° |
| C1' | C3' | H3'2 | 108.8° | 112.9° |
| C1' | C3' | H3'3 | 108.8° | 114.2° |
| H3'1 | C3' | H3'2 | 108.9° | 107.5° |
| H3'1 | C3' | H3'3 | 108.8° | 103.9° |
| H3'2 | C3' | H3'3 | 101.2° | 104.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1' | C2' | C2A | N3' | 180.0° | 180.0° |
| N1' | C2' | C2A | H2A1 | 179.9° | 119.9° |
| N1' | C2' | C2A | H2A2 | 54.7° | 119.6° |
| N1' | C2' | C2A | H2A3 | 54.7° | 0.6° |
| N1' | C2' | N3' | C4' | 0.1° | 0.0° |
| C2' | N1' | C6' | C5' | 0.1° | 0.0° |
| C2' | N1' | C6' | H6' | 179.9° | 179.9° |
| C6' | N1' | C2' | C2A | 179.9° | 180.0° |
| C6' | N1' | C2' | N3' | 0.1° | 0.0° |
| N1' | C6' | C5' | C4' | 0.0° | 0.0° |
| N1' | C6' | C5' | H6' | 179.9° | 179.9° |
| N1' | C6' | C5' | C35 | 179.9° | 180.0° |
| C2' | C2A | H2A1 | H2A2 | 125.2° | 122.2° |
| C2' | C2A | H2A1 | H2A3 | 125.4° | 122.2° |
| C2' | C2A | H2A2 | H2A3 | 113.6° | 121.7° |
| C2A | C2' | N3' | C4' | 179.9° | 180.0° |
| N3' | C2' | C2A | H2A1 | 0.1° | 60.1° |
| N3' | C2' | C2A | H2A2 | 125.3° | 60.3° |
| N3' | C2' | C2A | H2A3 | 125.3° | 179.4° |
| C2' | N3' | C4' | N4' | 180.0° | 180.0° |
| C2' | N3' | C4' | C5' | 0.0° | 0.1° |
| H2A1 | C2A | H2A2 | H2A3 | 113.5° | 116.7° |
| N3' | C4' | N4' | C5' | 180.0° | 179.9° |
| N3' | C4' | N4' | H4'1 | 180.0° | 167.8° |
| N3' | C4' | N4' | H4'2 | 54.7° | 6.0° |
| N3' | C4' | C5' | C6' | 0.0° | 0.0° |
| N3' | C4' | C5' | C35 | 179.9° | 179.9° |
| C4' | N4' | H4'1 | H4'2 | 125.3° | 173.6° |
| N4' | C4' | C5' | C6' | 179.9° | 180.0° |
| N4' | C4' | C5' | C35 | 0.1° | 0.0° |
| C5' | C4' | N4' | H4'1 | 0.1° | 12.3° |
| C5' | C4' | N4' | H4'2 | 125.3° | 173.9° |
| C4' | C5' | C6' | C35 | 179.9° | 180.0° |
| C4' | C5' | C6' | H6' | 179.9° | 179.9° |
| C4' | C5' | C35 | N3 | 65.7° | 180.0° |
| C4' | C5' | C35 | H351 | 59.5° | 59.0° |
| C4' | C5' | C35 | H352 | 169.0° | 59.0° |
| C6' | C5' | C35 | N3 | 114.2° | 0.0° |
| C6' | C5' | C35 | H351 | 120.5° | 121.0° |
| C6' | C5' | C35 | H352 | 11.0° | 121.0° |
| C35 | C5' | C6' | H6' | 0.0° | 0.1° |
| C5' | C35 | N3 | H351 | 125.2° | 121.9° |
| C5' | C35 | N3 | H352 | 125.2° | 121.9° |
| C5' | C35 | H351 | H352 | 117.5° | 120.7° |
| C5' | C35 | N3 | C2 | 112.8° | 90.0° |
| C5' | C35 | N3 | C4 | 100.4° | 90.0° |
| N3 | C35 | H351 | H352 | 117.5° | 118.1° |
| C35 | N3 | C2 | C4 | 149.2° | 180.0° |
| C35 | N3 | C2 | S1 | 131.6° | 180.0° |
| C35 | N3 | C2 | C1' | 4.4° | 0.0° |
| C35 | N3 | C4 | C5 | 165.7° | 180.0° |
| C35 | N3 | C4 | C4A | 9.7° | 0.0° |
| H351 | C35 | N3 | C2 | 12.4° | 31.9° |
| H351 | C35 | N3 | C4 | 134.3° | 148.1° |
| H352 | C35 | N3 | C2 | 122.0° | 148.1° |
| H352 | C35 | N3 | C4 | 24.8° | 31.9° |
| N3 | C2 | S1 | C1' | 141.9° | 180.0° |
| N3 | C2 | S1 | C5 | 32.4° | 0.0° |
| C2 | N3 | C4 | C5 | 14.8° | 0.0° |
| C2 | N3 | C4 | C4A | 160.7° | 180.0° |
| N3 | C2 | C1' | O2' | 27.8° | 29.9° |
| N3 | C2 | C1' | C3' | 161.7° | 150.0° |
| C4 | N3 | C2 | S1 | 17.6° | 0.0° |
| C4 | N3 | C2 | C1' | 153.5° | 180.0° |
| N3 | C4 | C5 | S1 | 38.2° | 0.0° |
| N3 | C4 | C5 | C4A | 176.1° | 180.0° |
| N3 | C4 | C5 | C5A | 150.3° | 180.0° |
| N3 | C4 | C4A | H4A1 | 180.0° | 127.0° |
| N3 | C4 | C4A | H4A2 | 54.7° | 112.6° |
| N3 | C4 | C4A | H4A3 | 54.8° | 6.4° |
| C2 | S1 | C5 | C4 | 43.3° | 0.0° |
| C2 | S1 | C5 | C5A | 162.6° | 180.0° |
| S1 | C2 | C1' | O2' | 160.9° | 150.1° |
| S1 | C2 | C1' | C3' | 28.5° | 30.0° |
| C1' | C2 | S1 | C5 | 174.2° | 180.0° |
| C2 | C1' | O2' | C3' | 170.7° | 179.9° |
| C2 | C1' | C3' | H3'1 | 179.9° | 55.0° |
| C2 | C1' | C3' | H3'2 | 54.7° | 67.3° |
| C2 | C1' | C3' | H3'3 | 54.7° | 173.7° |
| S1 | C5 | C4 | C5A | 112.1° | 180.0° |
| S1 | C5 | C4 | C4A | 137.9° | 180.0° |
| S1 | C5 | C5A | C5B | 114.0° | 90.0° |
| S1 | C5 | C5A | H5A1 | 11.2° | 147.6° |
| S1 | C5 | C5A | H5A2 | 120.7° | 31.2° |
| C5 | C4 | C4A | H4A1 | 5.0° | 53.0° |
| C5 | C4 | C4A | H4A2 | 120.3° | 67.5° |
| C5 | C4 | C4A | H4A3 | 130.2° | 173.5° |
| C4 | C5 | C5A | C5B | 132.0° | 90.0° |
| C4 | C5 | C5A | H5A1 | 102.8° | 32.4° |
| C4 | C5 | C5A | H5A2 | 6.7° | 148.7° |
| C5A | C5 | C4 | C4A | 25.8° | 0.0° |
| C5 | C5A | C5B | H5A1 | 125.3° | 122.3° |
| C5 | C5A | C5B | H5A2 | 125.3° | 121.3° |
| C5 | C5A | H5A1 | H5A2 | 122.2° | 117.9° |
| C5 | C5A | C5B | O5G | 153.4° | 61.7° |
| C5 | C5A | C5B | H5B1 | 28.1° | 179.9° |
| C5 | C5A | C5B | H5B2 | 81.3° | 59.2° |
| C4 | C4A | H4A1 | H4A2 | 125.3° | 123.3° |
| C4 | C4A | H4A1 | H4A3 | 125.2° | 123.3° |
| C4 | C4A | H4A2 | H4A3 | 109.6° | 122.8° |
| H4A1 | C4A | H4A2 | H4A3 | 109.5° | 114.5° |
| C5B | C5A | H5A1 | H5A2 | 122.1° | 117.9° |
| C5A | C5B | O5G | H5B1 | 125.3° | 119.5° |
| C5A | C5B | O5G | H5B2 | 125.3° | 122.7° |
| C5A | C5B | H5B1 | H5B2 | 111.8° | 122.7° |
| C5A | C5B | O5G | P1 | 167.9° | 180.0° |
| H5A1 | C5A | C5B | O5G | 81.3° | 60.7° |
| H5A1 | C5A | C5B | H5B1 | 153.4° | 57.6° |
| H5A1 | C5A | C5B | H5B2 | 44.0° | 178.4° |
| H5A2 | C5A | C5B | O5G | 28.2° | 177.0° |
| H5A2 | C5A | C5B | H5B1 | 97.1° | 58.8° |
| H5A2 | C5A | C5B | H5B2 | 153.4° | 62.1° |
| O5G | C5B | H5B1 | H5B2 | 111.7° | 117.8° |
| C5B | O5G | P1 | O11 | 54.5° | 54.1° |
| C5B | O5G | P1 | O12 | 171.9° | 180.0° |
| C5B | O5G | P1 | O13 | 56.6° | 54.1° |
| H5B1 | C5B | O5G | P1 | 66.8° | 60.5° |
| H5B2 | C5B | O5G | P1 | 42.6° | 57.3° |
| O5G | P1 | O11 | O12 | 120.1° | 126.2° |
| O5G | P1 | O11 | O13 | 108.4° | 109.1° |
| O5G | P1 | O12 | O13 | 124.1° | 120.7° |
| O5G | P1 | O11 | P2 | 78.3° | 66.2° |
| O5G | P1 | O13 | HO1 | 173.5° | 80.2° |
| O11 | P1 | O12 | O13 | 125.7° | 118.6° |
| P1 | O11 | P2 | O21 | 131.4° | 60.0° |
| P1 | O11 | P2 | O22 | 97.4° | 174.0° |
| P1 | O11 | P2 | O23 | 19.0° | 66.3° |
| O11 | P1 | O13 | HO1 | 69.3° | 170.6° |
| O12 | P1 | O11 | P2 | 41.8° | 60.0° |
| O12 | P1 | O13 | HO1 | 57.7° | 46.0° |
| O13 | P1 | O11 | P2 | 173.4° | 175.3° |
| O11 | P2 | O21 | O22 | 121.2° | 119.5° |
| O11 | P2 | O21 | O23 | 108.1° | 119.9° |
| O11 | P2 | O22 | O23 | 109.2° | 107.5° |
| O11 | P2 | O22 | H22O | 179.9° | 174.1° |
| O11 | P2 | O23 | H23O | 180.0° | 174.8° |
| O21 | P2 | O22 | O23 | 129.0° | 126.9° |
| O21 | P2 | O22 | H22O | 58.1° | 48.5° |
| O21 | P2 | O23 | H23O | 68.1° | 48.9° |
| O22 | P2 | O23 | H23O | 68.2° | 77.9° |
| O23 | P2 | O22 | H22O | 70.8° | 78.4° |
| O2' | C1' | C3' | H3'1 | 8.9° | 125.0° |
| O2' | C1' | C3' | H3'2 | 134.2° | 112.6° |
| O2' | C1' | C3' | H3'3 | 116.3° | 6.4° |
| C1' | C3' | H3'1 | H3'2 | 125.3° | 125.3° |
| C1' | C3' | H3'1 | H3'3 | 125.2° | 124.5° |
| C1' | C3' | H3'2 | H3'3 | 114.5° | 124.6° |
| H3'1 | C3' | H3'2 | H3'3 | 114.5° | 109.9° |
