8LQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | PBC | doub | 1.48Å | 1.47Å | |
| OAH | PBC | sing | 1.61Å | 1.59Å | |
| PBC | OAQ | sing | 1.61Å | 1.60Å | |
| PBC | O5' | sing | 1.61Å | 1.58Å | |
| OAQ | CAS | sing | 1.34Å | 1.38Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| CAA | CAZ | sing | 1.53Å | 1.55Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| CAS | OAC | doub | 1.21Å | 1.23Å | |
| CAS | CAL | sing | 1.51Å | 1.53Å | |
| C4' | C3' | sing | 1.54Å | 1.47Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| O3' | C3' | sing | 1.43Å | 1.46Å | |
| CAZ | CAL | sing | 1.53Å | 1.54Å | |
| CAZ | OAE | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| O2' | C2' | sing | 1.43Å | 1.48Å | |
| C2' | C1' | sing | 1.55Å | 1.51Å | |
| C1' | N9 | sing | 1.46Å | 1.50Å | |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.35Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.35Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.32Å | |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.40Å | Aromatic |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| N6 | H2 | sing | 0.97Å | 1.00Å | |
| N6 | H3 | sing | 0.97Å | 1.00Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAZ | H8 | sing | 1.09Å | 1.10Å | |
| OAE | H9 | sing | 0.97Å | 0.95Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| OAH | H12 | sing | 0.97Å | 0.95Å | |
| C5' | H13 | sing | 1.09Å | 1.10Å | |
| C5' | H14 | sing | 1.09Å | 1.10Å | |
| C4' | H15 | sing | 1.09Å | 1.10Å | |
| C3' | H16 | sing | 1.09Å | 1.10Å | |
| O3' | H17 | sing | 0.97Å | 0.95Å | |
| C2' | H18 | sing | 1.09Å | 1.10Å | |
| O2' | H19 | sing | 0.97Å | 0.95Å | |
| C1' | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | PBC | OAH | 112.8° | 109.5° |
| OAD | PBC | OAQ | 113.4° | 109.5° |
| OAD | PBC | O5' | 109.9° | 109.4° |
| OAH | PBC | OAQ | 104.5° | 109.5° |
| OAH | PBC | O5' | 111.4° | 109.5° |
| PBC | OAH | H12 | 109.5° | 114.0° |
| OAQ | PBC | O5' | 104.3° | 109.5° |
| PBC | OAQ | CAS | 123.0° | 117.0° |
| PBC | O5' | C5' | 116.7° | 123.0° |
| OAQ | CAS | OAC | 124.6° | 120.0° |
| OAQ | CAS | CAL | 115.3° | 120.0° |
| O5' | C5' | C4' | 109.5° | 109.4° |
| O5' | C5' | H13 | 109.4° | 109.5° |
| O5' | C5' | H14 | 109.5° | 109.5° |
| CAA | CAZ | CAL | 112.5° | 109.5° |
| CAA | CAZ | OAE | 109.6° | 109.5° |
| CAZ | CAA | H5 | 109.5° | 109.5° |
| CAZ | CAA | H6 | 109.5° | 109.5° |
| CAZ | CAA | H7 | 109.4° | 109.5° |
| CAA | CAZ | H8 | 108.1° | 109.4° |
| C5' | C4' | C3' | 107.2° | 110.4° |
| C5' | C4' | O4' | 109.3° | 110.4° |
| C4' | C5' | H13 | 109.5° | 109.5° |
| C4' | C5' | H14 | 109.5° | 109.5° |
| C5' | C4' | H15 | 111.0° | 110.3° |
| OAC | CAS | CAL | 120.0° | 120.0° |
| CAS | CAL | CAZ | 110.8° | 109.5° |
| CAS | CAL | H10 | 109.2° | 109.5° |
| CAS | CAL | H11 | 109.2° | 109.5° |
| C3' | C4' | O4' | 105.6° | 104.8° |
| C4' | C3' | O3' | 110.3° | 110.5° |
| C4' | C3' | C2' | 100.9° | 104.0° |
| C3' | C4' | H15 | 111.6° | 110.4° |
| C4' | C3' | H16 | 111.1° | 110.6° |
| C4' | O4' | C1' | 108.3° | 105.3° |
| O4' | C4' | H15 | 111.9° | 110.5° |
| O3' | C3' | C2' | 112.7° | 110.5° |
| O3' | C3' | H16 | 111.3° | 110.6° |
| C3' | O3' | H17 | 109.5° | 114.0° |
| CAL | CAZ | OAE | 108.5° | 109.5° |
| CAL | CAZ | H8 | 108.3° | 109.5° |
| CAZ | CAL | H10 | 109.1° | 109.5° |
| CAZ | CAL | H11 | 109.1° | 109.4° |
| OAE | CAZ | H8 | 109.8° | 109.5° |
| CAZ | OAE | H9 | 109.5° | 114.0° |
| C3' | C2' | O2' | 111.5° | 110.5° |
| C3' | C2' | C1' | 101.0° | 104.1° |
| C2' | C3' | H16 | 110.2° | 110.5° |
| C3' | C2' | H18 | 111.1° | 110.6° |
| O4' | C1' | C2' | 105.8° | 104.8° |
| O4' | C1' | N9 | 112.5° | 110.4° |
| O4' | C1' | H20 | 109.1° | 110.4° |
| O2' | C2' | C1' | 109.5° | 110.5° |
| O2' | C2' | H18 | 111.8° | 110.6° |
| C2' | O2' | H19 | 109.5° | 114.0° |
| C2' | C1' | N9 | 113.0° | 110.3° |
| C1' | C2' | H18 | 111.4° | 110.5° |
| C2' | C1' | H20 | 108.1° | 110.4° |
| C1' | N9 | C8 | 128.8° | 126.3° |
| C1' | N9 | C4 | 123.4° | 126.3° |
| N9 | C1' | H20 | 108.2° | 110.5° |
| N9 | C8 | N7 | 108.7° | 110.0° |
| C8 | N9 | C4 | 107.8° | 107.4° |
| N9 | C8 | H1 | 125.7° | 125.0° |
| C8 | N7 | C5 | 107.6° | 109.5° |
| N7 | C8 | H1 | 125.6° | 125.0° |
| N9 | C4 | C5 | 107.9° | 106.0° |
| N9 | C4 | N3 | 130.4° | 134.9° |
| N7 | C5 | C4 | 107.9° | 107.1° |
| N7 | C5 | C6 | 133.4° | 134.7° |
| C5 | C4 | N3 | 121.6° | 119.1° |
| C4 | C5 | C6 | 118.6° | 118.1° |
| C4 | N3 | C2 | 120.6° | 120.6° |
| C5 | C6 | N6 | 118.4° | 120.8° |
| C5 | C6 | N1 | 121.8° | 118.5° |
| N3 | C2 | N1 | 116.8° | 122.5° |
| N3 | C2 | H4 | 121.6° | 118.8° |
| N6 | C6 | N1 | 119.8° | 120.8° |
| C6 | N6 | H2 | 109.5° | 120.0° |
| C6 | N6 | H3 | 109.4° | 120.0° |
| C6 | N1 | C2 | 120.4° | 121.2° |
| N1 | C2 | H4 | 121.6° | 118.8° |
| H2 | N6 | H3 | 109.5° | 120.0° |
| H5 | CAA | H6 | 109.4° | 109.5° |
| H5 | CAA | H7 | 109.5° | 109.4° |
| H6 | CAA | H7 | 109.5° | 109.4° |
| H10 | CAL | H11 | 109.5° | 109.5° |
| H13 | C5' | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | PBC | OAH | OAQ | 123.7° | 120.0° |
| OAD | PBC | OAH | O5' | 124.3° | 119.9° |
| OAD | PBC | OAQ | O5' | 119.6° | 120.0° |
| OAD | PBC | OAQ | CAS | 172.1° | 55.1° |
| OAD | PBC | O5' | C5' | 68.1° | 55.0° |
| OAD | PBC | OAH | H12 | 0.0° | 180.0° |
| OAH | PBC | OAQ | O5' | 117.1° | 120.0° |
| OAH | PBC | OAQ | CAS | 64.6° | 64.9° |
| OAH | PBC | O5' | C5' | 166.0° | 64.9° |
| OAQ | PBC | O5' | C5' | 53.7° | 175.0° |
| PBC | OAQ | CAS | OAC | 16.7° | 0.1° |
| PBC | OAQ | CAS | CAL | 167.4° | 180.0° |
| OAQ | PBC | OAH | H12 | 123.7° | 60.0° |
| O5' | PBC | OAQ | CAS | 52.6° | 175.0° |
| PBC | O5' | C5' | C4' | 178.5° | 180.0° |
| O5' | PBC | OAH | H12 | 124.2° | 60.0° |
| PBC | O5' | C5' | H13 | 58.5° | 60.0° |
| PBC | O5' | C5' | H14 | 61.5° | 60.0° |
| OAQ | CAS | OAC | CAL | 175.7° | 179.9° |
| OAQ | CAS | CAL | CAZ | 97.7° | 180.0° |
| OAQ | CAS | CAL | H10 | 22.5° | 60.0° |
| OAQ | CAS | CAL | H11 | 142.1° | 60.0° |
| O5' | C5' | C4' | H13 | 120.0° | 120.0° |
| O5' | C5' | C4' | H14 | 120.0° | 120.0° |
| O5' | C5' | C4' | C3' | 173.6° | 175.0° |
| O5' | C5' | C4' | O4' | 59.7° | 69.6° |
| O5' | C5' | H13 | H14 | 120.0° | 120.0° |
| O5' | C5' | C4' | H15 | 64.3° | 52.7° |
| CAA | CAZ | CAL | CAS | 55.5° | 175.0° |
| CAA | CAZ | CAL | OAE | 121.5° | 120.0° |
| CAA | CAZ | CAL | H8 | 119.4° | 119.9° |
| CAA | CAZ | OAE | H8 | 118.6° | 119.9° |
| CAZ | CAA | H5 | H6 | 120.0° | 120.1° |
| CAZ | CAA | H5 | H7 | 120.0° | 120.0° |
| CAZ | CAA | H6 | H7 | 120.0° | 120.0° |
| CAA | CAZ | OAE | H9 | 93.2° | 60.1° |
| CAA | CAZ | CAL | H10 | 64.7° | 55.0° |
| CAA | CAZ | CAL | H11 | 175.8° | 65.0° |
| C5' | C4' | C3' | O4' | 116.5° | 118.8° |
| C5' | C4' | C3' | H15 | 121.8° | 122.2° |
| C5' | C4' | O4' | H15 | 123.4° | 122.2° |
| C5' | C4' | C3' | O3' | 86.1° | 98.6° |
| C5' | C4' | C3' | C2' | 154.5° | 142.8° |
| C5' | C4' | O4' | C1' | 134.5° | 159.4° |
| C4' | C5' | H13 | H14 | 120.0° | 120.0° |
| C5' | C4' | C3' | H16 | 37.7° | 24.2° |
| OAC | CAS | CAL | CAZ | 78.3° | 0.0° |
| OAC | CAS | CAL | H10 | 161.5° | 120.0° |
| OAC | CAS | CAL | H11 | 41.9° | 119.9° |
| CAS | CAL | CAZ | H10 | 120.2° | 120.0° |
| CAS | CAL | CAZ | H11 | 120.2° | 120.0° |
| CAS | CAL | CAZ | OAE | 66.0° | 65.0° |
| CAS | CAL | CAZ | H8 | 174.9° | 55.0° |
| CAS | CAL | H10 | H11 | 119.4° | 120.0° |
| C3' | C4' | O4' | H15 | 121.6° | 118.9° |
| C4' | C3' | O3' | C2' | 111.9° | 114.6° |
| C4' | C3' | O3' | H16 | 123.7° | 122.7° |
| C4' | C3' | C2' | H16 | 117.4° | 118.7° |
| C3' | C4' | O4' | C1' | 19.5° | 40.5° |
| C4' | C3' | C2' | O2' | 74.6° | 118.6° |
| C4' | C3' | C2' | C1' | 41.7° | 0.0° |
| C3' | C4' | C5' | H13 | 53.6° | 65.0° |
| C3' | C4' | C5' | H14 | 66.4° | 55.0° |
| C4' | C3' | O3' | H17 | 180.0° | 180.0° |
| C4' | C3' | C2' | H18 | 160.0° | 118.6° |
| O4' | C4' | C3' | O3' | 157.4° | 142.6° |
| O4' | C4' | C3' | C2' | 38.1° | 24.0° |
| C4' | O4' | C1' | C2' | 8.0° | 40.5° |
| C4' | O4' | C1' | N9 | 115.8° | 159.3° |
| O4' | C4' | C5' | H13 | 60.3° | 50.4° |
| O4' | C4' | C5' | H14 | 179.7° | 170.4° |
| O4' | C4' | C3' | H16 | 78.7° | 94.6° |
| C4' | O4' | C1' | H20 | 124.1° | 78.3° |
| O3' | C3' | C2' | H16 | 125.0° | 122.7° |
| O3' | C3' | C2' | O2' | 43.0° | 0.0° |
| O3' | C3' | C2' | C1' | 159.3° | 118.6° |
| O3' | C3' | C4' | H15 | 35.7° | 23.6° |
| O3' | C3' | C2' | H18 | 82.5° | 122.7° |
| CAL | CAZ | OAE | H8 | 118.1° | 120.0° |
| CAL | CAZ | CAA | H5 | 180.0° | 59.9° |
| CAL | CAZ | CAA | H6 | 60.0° | 180.0° |
| CAL | CAZ | CAA | H7 | 60.0° | 60.1° |
| CAL | CAZ | OAE | H9 | 30.0° | 60.0° |
| CAZ | CAL | H10 | H11 | 119.4° | 120.0° |
| OAE | CAZ | CAA | H5 | 59.1° | 180.0° |
| OAE | CAZ | CAA | H6 | 60.9° | 60.0° |
| OAE | CAZ | CAA | H7 | 179.1° | 60.0° |
| OAE | CAZ | CAL | H10 | 173.8° | 175.0° |
| OAE | CAZ | CAL | H11 | 54.3° | 55.0° |
| C3' | C2' | C1' | O4' | 30.9° | 24.0° |
| C3' | C2' | O2' | C1' | 111.0° | 114.6° |
| C3' | C2' | O2' | H18 | 125.1° | 122.7° |
| C3' | C2' | C1' | H18 | 118.0° | 118.7° |
| C3' | C2' | C1' | N9 | 92.6° | 142.8° |
| C2' | C3' | C4' | H15 | 83.7° | 95.0° |
| C2' | C3' | O3' | H17 | 68.1° | 65.4° |
| C3' | C2' | O2' | H19 | 180.0° | 61.5° |
| C3' | C2' | C1' | H20 | 147.6° | 94.8° |
| O4' | C1' | C2' | O2' | 86.9° | 142.7° |
| O4' | C1' | C2' | N9 | 123.5° | 118.8° |
| O4' | C1' | C2' | H20 | 116.7° | 118.8° |
| O4' | C1' | N9 | H20 | 120.6° | 122.3° |
| O4' | C1' | N9 | C8 | 15.3° | 23.8° |
| O4' | C1' | N9 | C4 | 165.6° | 156.4° |
| C1' | O4' | C4' | H15 | 102.1° | 78.4° |
| O4' | C1' | C2' | H18 | 148.9° | 94.7° |
| O2' | C2' | C1' | H18 | 124.2° | 122.7° |
| O2' | C2' | C1' | N9 | 149.6° | 98.6° |
| O2' | C2' | C3' | H16 | 168.0° | 122.7° |
| O2' | C2' | C1' | H20 | 29.9° | 23.8° |
| C2' | C1' | N9 | H20 | 119.7° | 122.4° |
| C2' | C1' | N9 | C8 | 104.4° | 91.5° |
| C2' | C1' | N9 | C4 | 74.7° | 88.3° |
| C1' | C2' | C3' | H16 | 75.7° | 118.7° |
| C1' | C2' | O2' | H19 | 69.0° | 176.1° |
| C1' | N9 | C8 | C4 | 179.2° | 179.8° |
| C1' | N9 | C8 | N7 | 179.9° | 179.8° |
| C1' | N9 | C4 | C5 | 179.3° | 179.8° |
| C1' | N9 | C4 | N3 | 3.7° | 0.1° |
| C1' | N9 | C8 | H1 | 0.1° | 0.2° |
| N9 | C1' | C2' | H18 | 25.4° | 24.1° |
| N9 | C8 | N7 | H1 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 1.1° | 0.0° |
| C8 | N9 | C4 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | N3 | 177.1° | 180.0° |
| C8 | N9 | C1' | H20 | 136.0° | 146.1° |
| N7 | C8 | N9 | C4 | 0.7° | 0.0° |
| C8 | N7 | C5 | C4 | 1.0° | 0.0° |
| C8 | N7 | C5 | C6 | 176.9° | 180.0° |
| N9 | C4 | C5 | N7 | 0.6° | 0.0° |
| N9 | C4 | C5 | N3 | 177.3° | 179.9° |
| N9 | C4 | C5 | C6 | 177.1° | 180.0° |
| N9 | C4 | N3 | C2 | 179.9° | 179.9° |
| C4 | N9 | C8 | H1 | 179.2° | 180.0° |
| C4 | N9 | C1' | H20 | 45.0° | 34.1° |
| N7 | C5 | C4 | C6 | 176.5° | 180.0° |
| N7 | C5 | C4 | N3 | 176.7° | 180.0° |
| N7 | C5 | C6 | N6 | 3.6° | 0.0° |
| N7 | C5 | C6 | N1 | 178.4° | 180.0° |
| C5 | N7 | C8 | H1 | 178.9° | 180.0° |
| C5 | C4 | N3 | C2 | 3.4° | 0.0° |
| C4 | C5 | C6 | N6 | 179.0° | 180.0° |
| C4 | C5 | C6 | N1 | 2.9° | 0.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | N3 | C2 | N1 | 4.2° | 0.0° |
| C4 | N3 | C2 | H4 | 175.8° | 180.0° |
| C5 | C6 | N6 | N1 | 178.1° | 179.9° |
| C5 | C6 | N1 | C2 | 2.0° | 0.0° |
| C5 | C6 | N6 | H2 | 178.1° | 0.0° |
| C5 | C6 | N6 | H3 | 61.9° | 179.9° |
| N3 | C2 | N1 | C6 | 1.6° | 0.0° |
| N3 | C2 | N1 | H4 | 180.0° | 180.0° |
| N6 | C6 | N1 | C2 | 180.0° | 180.0° |
| C6 | N6 | H2 | H3 | 120.0° | 180.0° |
| N1 | C6 | N6 | H2 | 0.0° | 180.0° |
| N1 | C6 | N6 | H3 | 120.0° | 0.0° |
| C6 | N1 | C2 | H4 | 178.4° | 180.0° |
| H5 | CAA | H6 | H7 | 120.0° | 119.9° |
| H5 | CAA | CAZ | H8 | 60.5° | 60.1° |
| H6 | CAA | CAZ | H8 | 179.5° | 60.0° |
| H7 | CAA | CAZ | H8 | 59.4° | 180.0° |
| H8 | CAZ | OAE | H9 | 148.2° | 180.0° |
| H8 | CAZ | CAL | H10 | 54.7° | 65.0° |
| H8 | CAZ | CAL | H11 | 64.9° | 175.0° |
| H13 | C5' | C4' | H15 | 175.8° | 172.7° |
| H14 | C5' | C4' | H15 | 55.7° | 67.3° |
| H15 | C4' | C3' | H16 | 159.5° | 146.4° |
| H16 | C3' | O3' | H17 | 56.3° | 57.3° |
| H16 | C3' | C2' | H18 | 42.5° | 0.0° |
| H18 | C2' | O2' | H19 | 54.9° | 61.2° |
| H18 | C2' | C1' | H20 | 94.4° | 146.5° |
