4UU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3P | P | doub | 1.48Å | 1.50Å | |
| O34 | CAR | doub | 1.22Å | 1.23Å | |
| CAJ | CAD | doub | 1.35Å | 1.40Å | |
| CAJ | CAK | sing | 1.47Å | 1.40Å | |
| CAD | CAC | sing | 1.41Å | 1.40Å | |
| CAP | CAK | sing | 1.47Å | 1.48Å | |
| CAP | CAQ | doub | 1.35Å | 1.33Å | |
| CAK | CAH | doub | 1.35Å | 1.39Å | |
| N6 | C6 | sing | 1.38Å | 1.35Å | |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| CAR | CAQ | sing | 1.46Å | 1.47Å | |
| CAR | O2P | sing | 1.35Å | 1.45Å | |
| CAC | OBF | doub | 1.21Å | 1.26Å | |
| CAC | CAS | sing | 1.51Å | 1.40Å | |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| CAH | CAS | sing | 1.51Å | 1.39Å | |
| C5 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.49Å | |
| P | O2P | sing | 1.61Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.60Å | |
| P | O1P | sing | 1.61Å | 1.50Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| CAQ | H2 | sing | 1.08Å | 1.08Å | |
| CAP | H3 | sing | 1.08Å | 1.08Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAS | H7 | sing | 1.09Å | 1.10Å | |
| CAS | H8 | sing | 1.09Å | 1.10Å | |
| O1P | H9 | sing | 0.97Å | 0.95Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C4' | H12 | sing | 1.09Å | 1.10Å | |
| C3' | H13 | sing | 1.09Å | 1.10Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| C2' | H15 | sing | 1.09Å | 1.10Å | |
| O2' | H16 | sing | 0.97Å | 0.95Å | |
| C1' | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3P | P | O2P | 110.3° | 109.5° |
| O3P | P | O5' | 106.9° | 109.5° |
| O3P | P | O1P | 119.0° | 109.4° |
| O34 | CAR | CAQ | 122.5° | 120.0° |
| O34 | CAR | O2P | 119.7° | 120.0° |
| CAD | CAJ | CAK | 120.2° | 122.6° |
| CAJ | CAD | CAC | 119.8° | 121.3° |
| CAD | CAJ | H4 | 119.9° | 118.7° |
| CAJ | CAD | H5 | 120.1° | 119.4° |
| CAJ | CAK | CAP | 118.2° | 119.4° |
| CAJ | CAK | CAH | 119.9° | 121.2° |
| CAK | CAJ | H4 | 119.9° | 118.7° |
| CAD | CAC | OBF | 120.1° | 120.7° |
| CAD | CAC | CAS | 120.0° | 118.6° |
| CAC | CAD | H5 | 120.1° | 119.4° |
| CAK | CAP | CAQ | 122.3° | 120.0° |
| CAP | CAK | CAH | 121.9° | 119.4° |
| CAK | CAP | H3 | 118.9° | 120.0° |
| CAP | CAQ | CAR | 120.2° | 120.0° |
| CAP | CAQ | H2 | 119.9° | 120.1° |
| CAQ | CAP | H3 | 118.9° | 120.0° |
| CAK | CAH | CAS | 120.0° | 118.6° |
| CAK | CAH | H6 | 120.0° | 120.6° |
| N6 | C6 | N1 | 119.9° | 120.8° |
| N6 | C6 | C5 | 121.2° | 120.8° |
| C6 | N6 | H19 | 109.5° | 120.0° |
| C6 | N6 | H20 | 109.5° | 120.0° |
| C6 | N1 | C2 | 121.5° | 121.2° |
| N1 | C6 | C5 | 118.9° | 118.4° |
| N1 | C2 | N3 | 121.1° | 122.5° |
| N1 | C2 | H1 | 119.5° | 118.7° |
| CAQ | CAR | O2P | 117.8° | 120.0° |
| CAR | CAQ | H2 | 119.9° | 120.0° |
| CAR | O2P | P | 124.7° | 114.0° |
| OBF | CAC | CAS | 119.9° | 120.7° |
| CAC | CAS | CAH | 120.1° | 117.7° |
| CAC | CAS | H7 | 106.7° | 107.8° |
| CAC | CAS | H8 | 106.7° | 107.7° |
| C6 | C5 | N7 | 133.8° | 134.7° |
| C6 | C5 | C4 | 118.4° | 118.2° |
| C2 | N3 | C4 | 119.8° | 120.6° |
| N3 | C2 | H1 | 119.5° | 118.8° |
| CAS | CAH | H6 | 120.0° | 120.7° |
| CAH | CAS | H7 | 106.8° | 107.8° |
| CAH | CAS | H8 | 106.8° | 107.8° |
| N7 | C5 | C4 | 107.7° | 107.1° |
| C5 | N7 | C8 | 107.0° | 109.5° |
| C5 | C4 | N3 | 120.3° | 119.1° |
| C5 | C4 | N9 | 108.0° | 106.0° |
| N3 | C4 | N9 | 131.7° | 134.9° |
| N7 | C8 | N9 | 109.7° | 110.0° |
| N7 | C8 | H18 | 125.1° | 125.0° |
| C4 | N9 | C8 | 107.5° | 107.4° |
| C4 | N9 | C1' | 124.7° | 126.3° |
| C1' | O4' | C4' | 109.5° | 105.3° |
| O4' | C1' | N9 | 110.4° | 110.4° |
| O4' | C1' | C2' | 106.0° | 104.8° |
| O4' | C1' | H17 | 110.5° | 110.3° |
| O4' | C4' | C5' | 111.1° | 110.4° |
| O4' | C4' | C3' | 103.8° | 104.8° |
| O4' | C4' | H12 | 111.4° | 110.5° |
| C8 | N9 | C1' | 127.8° | 126.3° |
| N9 | C8 | H18 | 125.1° | 125.1° |
| N9 | C1' | C2' | 110.9° | 110.4° |
| N9 | C1' | H17 | 109.7° | 110.5° |
| O2P | P | O5' | 108.1° | 109.5° |
| O2P | P | O1P | 102.4° | 109.5° |
| O5' | P | O1P | 109.7° | 109.4° |
| P | O5' | C5' | 118.9° | 123.0° |
| P | O1P | H9 | 109.5° | 114.0° |
| O5' | C5' | C4' | 108.3° | 109.5° |
| O5' | C5' | H10 | 109.8° | 109.4° |
| O5' | C5' | H11 | 109.8° | 109.5° |
| C1' | C2' | O2' | 109.2° | 110.5° |
| C1' | C2' | C3' | 101.2° | 104.1° |
| C1' | C2' | H15 | 110.9° | 110.6° |
| C2' | C1' | H17 | 109.2° | 110.3° |
| C5' | C4' | C3' | 109.9° | 110.4° |
| C4' | C5' | H10 | 109.8° | 109.4° |
| C4' | C5' | H11 | 109.8° | 109.5° |
| C5' | C4' | H12 | 110.3° | 110.3° |
| C4' | C3' | C2' | 100.8° | 104.1° |
| C4' | C3' | O3' | 112.8° | 110.5° |
| C3' | C4' | H12 | 110.2° | 110.4° |
| C4' | C3' | H13 | 109.0° | 110.5° |
| O2' | C2' | C3' | 111.9° | 110.5° |
| O2' | C2' | H15 | 112.1° | 110.5° |
| C2' | O2' | H16 | 109.5° | 114.0° |
| C2' | C3' | O3' | 114.7° | 110.5° |
| C2' | C3' | H13 | 109.0° | 110.6° |
| C3' | C2' | H15 | 111.1° | 110.5° |
| O3' | C3' | H13 | 110.1° | 110.4° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| H7 | CAS | H8 | 109.5° | 107.6° |
| H10 | C5' | H11 | 109.5° | 109.5° |
| H19 | N6 | H20 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O2P | CAR | 64.0° | 54.9° |
| O3P | P | O2P | O5' | 116.6° | 120.0° |
| O3P | P | O2P | O1P | 127.7° | 120.0° |
| O3P | P | O5' | O1P | 130.3° | 119.9° |
| O3P | P | O5' | C5' | 166.5° | 54.9° |
| O3P | P | O1P | H9 | 0.0° | 180.0° |
| O34 | CAR | CAQ | CAP | 20.8° | 0.0° |
| O34 | CAR | CAQ | O2P | 179.7° | 180.0° |
| O34 | CAR | O2P | P | 6.5° | 0.0° |
| O34 | CAR | CAQ | H2 | 159.1° | 180.0° |
| CAD | CAJ | CAK | H4 | 180.0° | 179.9° |
| CAJ | CAD | CAC | H5 | 180.0° | 180.0° |
| CAD | CAJ | CAK | CAP | 179.5° | 179.9° |
| CAD | CAJ | CAK | CAH | 0.1° | 0.3° |
| CAJ | CAD | CAC | OBF | 179.8° | 180.0° |
| CAJ | CAD | CAC | CAS | 0.1° | 0.3° |
| CAK | CAJ | CAD | CAC | 0.2° | 0.0° |
| CAJ | CAK | CAP | CAH | 179.5° | 179.7° |
| CAJ | CAK | CAP | CAQ | 178.1° | 0.3° |
| CAJ | CAK | CAH | CAS | 0.4° | 0.2° |
| CAJ | CAK | CAP | H3 | 1.9° | 179.7° |
| CAK | CAJ | CAD | H5 | 179.8° | 180.0° |
| CAJ | CAK | CAH | H6 | 179.6° | 179.7° |
| CAD | CAC | OBF | CAS | 179.9° | 179.7° |
| CAD | CAC | CAS | CAH | 0.2° | 0.3° |
| CAC | CAD | CAJ | H4 | 179.8° | 179.9° |
| CAD | CAC | CAS | H7 | 121.7° | 121.8° |
| CAD | CAC | CAS | H8 | 121.3° | 122.4° |
| CAK | CAP | CAQ | H3 | 180.0° | 180.0° |
| CAK | CAP | CAQ | CAR | 179.5° | 180.0° |
| CAP | CAK | CAH | CAS | 179.1° | 180.0° |
| CAK | CAP | CAQ | H2 | 0.5° | 0.0° |
| CAP | CAK | CAJ | H4 | 0.5° | 0.0° |
| CAP | CAK | CAH | H6 | 0.9° | 0.1° |
| CAQ | CAP | CAK | CAH | 2.4° | 180.0° |
| CAP | CAQ | CAR | H2 | 180.0° | 180.0° |
| CAP | CAQ | CAR | O2P | 159.5° | 180.0° |
| CAK | CAH | CAS | CAC | 0.5° | 0.1° |
| CAK | CAH | CAS | H6 | 180.0° | 179.9° |
| CAH | CAK | CAP | H3 | 177.6° | 0.0° |
| CAH | CAK | CAJ | H4 | 180.0° | 179.8° |
| CAK | CAH | CAS | H7 | 122.0° | 122.1° |
| CAK | CAH | CAS | H8 | 121.0° | 122.1° |
| N6 | C6 | N1 | C5 | 179.9° | 179.9° |
| N6 | C6 | N1 | C2 | 179.5° | 179.6° |
| N6 | C6 | C5 | N7 | 0.1° | 0.1° |
| N6 | C6 | C5 | C4 | 179.8° | 179.3° |
| C6 | N6 | H19 | H20 | 120.0° | 179.9° |
| C6 | N1 | C2 | N3 | 0.7° | 0.0° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.8° |
| C6 | N1 | C2 | H1 | 179.3° | 179.7° |
| N1 | C6 | N6 | H19 | 0.0° | 180.0° |
| N1 | C6 | N6 | H20 | 120.0° | 0.1° |
| C2 | N1 | C6 | C5 | 0.4° | 0.5° |
| N1 | C2 | N3 | H1 | 180.0° | 179.7° |
| N1 | C2 | N3 | C4 | 0.7° | 0.3° |
| CAQ | CAR | O2P | P | 173.2° | 180.0° |
| CAR | CAQ | CAP | H3 | 0.5° | 0.0° |
| CAR | O2P | P | O5' | 52.6° | 175.0° |
| CAR | O2P | P | O1P | 168.3° | 65.0° |
| O2P | CAR | CAQ | H2 | 20.5° | 0.0° |
| OBF | CAC | CAS | CAH | 179.8° | 180.0° |
| OBF | CAC | CAD | H5 | 0.2° | 0.0° |
| OBF | CAC | CAS | H7 | 58.4° | 57.9° |
| OBF | CAC | CAS | H8 | 58.7° | 58.0° |
| CAC | CAS | CAH | H7 | 121.5° | 122.1° |
| CAC | CAS | CAH | H8 | 121.5° | 122.0° |
| CAS | CAC | CAD | H5 | 179.9° | 179.7° |
| CAC | CAS | CAH | H6 | 179.5° | 180.0° |
| CAC | CAS | H7 | H8 | 115.2° | 115.9° |
| C6 | C5 | N7 | C4 | 179.9° | 179.3° |
| C6 | C5 | C4 | N3 | 0.1° | 0.5° |
| C6 | C5 | N7 | C8 | 179.9° | 179.4° |
| C6 | C5 | C4 | N9 | 179.8° | 179.5° |
| C5 | C6 | N6 | H19 | 179.9° | 0.1° |
| C5 | C6 | N6 | H20 | 60.1° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.0° |
| C2 | N3 | C4 | N9 | 179.9° | 180.0° |
| CAH | CAS | H7 | H8 | 115.2° | 116.0° |
| N7 | C5 | C4 | N3 | 180.0° | 180.0° |
| N7 | C5 | C4 | N9 | 0.3° | 0.1° |
| C5 | N7 | C8 | N9 | 0.3° | 0.1° |
| C5 | N7 | C8 | H18 | 179.7° | 179.9° |
| C5 | C4 | N3 | N9 | 179.6° | 180.0° |
| C4 | C5 | N7 | C8 | 0.0° | 0.1° |
| C5 | C4 | N9 | C8 | 0.5° | 0.0° |
| C5 | C4 | N9 | C1' | 179.9° | 180.0° |
| N3 | C4 | N9 | C8 | 179.8° | 180.0° |
| N3 | C4 | N9 | C1' | 0.3° | 0.0° |
| C4 | N3 | C2 | H1 | 179.3° | 180.0° |
| N7 | C8 | N9 | C4 | 0.5° | 0.0° |
| N7 | C8 | N9 | H18 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 180.0° | 180.0° |
| C4 | N9 | C1' | O4' | 160.8° | 156.5° |
| C4 | N9 | C8 | C1' | 179.5° | 180.0° |
| C4 | N9 | C1' | C2' | 82.1° | 88.1° |
| C4 | N9 | C1' | H17 | 38.7° | 34.2° |
| C4 | N9 | C8 | H18 | 179.5° | 180.0° |
| O4' | C1' | N9 | C8 | 19.8° | 23.6° |
| O4' | C1' | N9 | C2' | 117.2° | 115.4° |
| O4' | C1' | N9 | H17 | 122.1° | 122.3° |
| O4' | C1' | C2' | H17 | 119.1° | 118.7° |
| C1' | O4' | C4' | C5' | 142.0° | 159.4° |
| C1' | O4' | C4' | C3' | 24.0° | 40.5° |
| O4' | C1' | C2' | O2' | 90.4° | 142.6° |
| O4' | C1' | C2' | C3' | 27.7° | 24.0° |
| C1' | O4' | C4' | H12 | 94.6° | 78.4° |
| O4' | C1' | C2' | H15 | 145.5° | 94.7° |
| C4' | O4' | C1' | N9 | 117.6° | 159.4° |
| O4' | C4' | C5' | O5' | 63.1° | 69.6° |
| C4' | O4' | C1' | C2' | 2.5° | 40.5° |
| O4' | C4' | C5' | C3' | 114.2° | 115.4° |
| O4' | C4' | C5' | H12 | 124.1° | 122.4° |
| O4' | C4' | C3' | H12 | 119.4° | 118.9° |
| O4' | C4' | C3' | C2' | 40.5° | 24.0° |
| O4' | C4' | C3' | O3' | 163.2° | 142.7° |
| O4' | C4' | C5' | H10 | 56.7° | 50.4° |
| O4' | C4' | C5' | H11 | 177.0° | 170.4° |
| O4' | C4' | C3' | H13 | 74.1° | 94.8° |
| C4' | O4' | C1' | H17 | 120.8° | 78.3° |
| C8 | N9 | C1' | C2' | 97.4° | 91.8° |
| C8 | N9 | C1' | H17 | 141.9° | 145.8° |
| N9 | C1' | C2' | H17 | 121.0° | 122.4° |
| N9 | C1' | C2' | O2' | 149.7° | 98.5° |
| N9 | C1' | C2' | C3' | 92.2° | 142.8° |
| N9 | C1' | C2' | H15 | 25.7° | 24.1° |
| C1' | N9 | C8 | H18 | 0.0° | 0.1° |
| O2P | P | O5' | O1P | 110.9° | 120.0° |
| O2P | P | O5' | C5' | 47.7° | 175.0° |
| O2P | P | O1P | H9 | 121.9° | 60.0° |
| P | O5' | C5' | C4' | 173.7° | 180.0° |
| O5' | P | O1P | H9 | 123.5° | 60.1° |
| P | O5' | C5' | H10 | 53.9° | 60.1° |
| P | O5' | C5' | H11 | 66.4° | 59.9° |
| O1P | P | O5' | C5' | 63.2° | 65.0° |
| O5' | C5' | C4' | H10 | 119.8° | 120.0° |
| O5' | C5' | C4' | H11 | 119.8° | 120.0° |
| O5' | C5' | C4' | C3' | 177.4° | 175.0° |
| O5' | C5' | H10 | H11 | 120.5° | 120.0° |
| O5' | C5' | C4' | H12 | 60.9° | 52.8° |
| C1' | C2' | C3' | C4' | 40.9° | 0.0° |
| C1' | C2' | O2' | C3' | 111.1° | 114.7° |
| C1' | C2' | O2' | H15 | 123.3° | 122.7° |
| C1' | C2' | C3' | H15 | 117.8° | 118.7° |
| C1' | C2' | C3' | O3' | 162.3° | 118.7° |
| C1' | C2' | C3' | H13 | 73.7° | 118.7° |
| C1' | C2' | O2' | H16 | 180.0° | 176.1° |
| C5' | C4' | C3' | H12 | 121.7° | 122.2° |
| C5' | C4' | C3' | C2' | 159.3° | 142.8° |
| C5' | C4' | C3' | O3' | 77.9° | 98.5° |
| C4' | C5' | H10 | H11 | 120.6° | 120.0° |
| C5' | C4' | C3' | H13 | 44.7° | 24.0° |
| C4' | C3' | C2' | O2' | 75.2° | 118.6° |
| C4' | C3' | C2' | O3' | 121.4° | 118.7° |
| C4' | C3' | C2' | H13 | 114.6° | 118.7° |
| C4' | C3' | O3' | H13 | 122.0° | 122.6° |
| C3' | C4' | C5' | H10 | 57.6° | 65.0° |
| C3' | C4' | C5' | H11 | 62.8° | 55.0° |
| C4' | C3' | O3' | H14 | 180.0° | 180.0° |
| C4' | C3' | C2' | H15 | 158.6° | 118.7° |
| O2' | C2' | C3' | H15 | 126.1° | 122.6° |
| O2' | C2' | C3' | O3' | 46.2° | 0.0° |
| O2' | C2' | C3' | H13 | 170.2° | 122.6° |
| O2' | C2' | C1' | H17 | 28.7° | 23.9° |
| C2' | C3' | O3' | H13 | 123.3° | 122.7° |
| C2' | C3' | C4' | H12 | 78.9° | 95.0° |
| C2' | C3' | O3' | H14 | 65.3° | 65.3° |
| C3' | C2' | O2' | H16 | 68.9° | 61.5° |
| C3' | C2' | C1' | H17 | 146.8° | 94.8° |
| O3' | C3' | C4' | H12 | 43.9° | 23.7° |
| O3' | C3' | C2' | H15 | 79.9° | 122.6° |
| H2 | CAQ | CAP | H3 | 179.5° | 180.0° |
| H4 | CAJ | CAD | H5 | 0.2° | 0.0° |
| H6 | CAH | CAS | H7 | 58.0° | 57.9° |
| H6 | CAH | CAS | H8 | 59.0° | 58.0° |
| H10 | C5' | C4' | H12 | 179.3° | 172.7° |
| H11 | C5' | C4' | H12 | 58.9° | 67.3° |
| H12 | C4' | C3' | H13 | 166.5° | 146.3° |
| H13 | C3' | O3' | H14 | 58.0° | 57.4° |
| H13 | C3' | C2' | H15 | 44.0° | 0.0° |
| H15 | C2' | O2' | H16 | 56.7° | 61.2° |
| H15 | C2' | C1' | H17 | 95.4° | 146.5° |
