4UV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | CAD | doub | 1.21Å | 1.26Å | |
| O3P | P | doub | 1.48Å | 1.51Å | |
| O34 | CAR | doub | 1.22Å | 1.23Å | |
| CAD | CAJ | sing | 1.47Å | 1.40Å | |
| CAD | CAC | sing | 1.51Å | 1.39Å | |
| CAJ | CAK | doub | 1.38Å | 1.40Å | |
| N6 | C6 | sing | 1.38Å | 1.35Å | |
| OBF | CAC | doub | 1.21Å | 1.26Å | |
| CAP | CAK | sing | 1.47Å | 1.48Å | |
| CAP | CAQ | doub | 1.35Å | 1.33Å | |
| CAC | CAS | sing | 1.48Å | 1.40Å | |
| CAK | CAH | sing | 1.47Å | 1.40Å | |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| CAR | CAQ | sing | 1.47Å | 1.48Å | |
| CAR | O2P | sing | 1.35Å | 1.46Å | |
| C6 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.36Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| CAS | CAH | doub | 1.35Å | 1.41Å | |
| N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| N9 | C1' | sing | 1.46Å | 1.49Å | |
| P | O2P | sing | 1.61Å | 1.62Å | |
| P | O5' | sing | 1.61Å | 1.60Å | |
| P | O1P | sing | 1.61Å | 1.50Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| O1P | H1 | sing | 0.97Å | 0.95Å | |
| CAQ | H2 | sing | 1.08Å | 1.08Å | |
| CAP | H3 | sing | 1.08Å | 1.08Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAS | H5 | sing | 1.08Å | 1.08Å | |
| CAJ | H6 | sing | 1.08Å | 1.08Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C4' | H9 | sing | 1.09Å | 1.10Å | |
| C1' | H10 | sing | 1.09Å | 1.10Å | |
| C2' | H11 | sing | 1.09Å | 1.10Å | |
| O2' | H12 | sing | 0.97Å | 0.95Å | |
| C3' | H13 | sing | 1.09Å | 1.10Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| C8 | H15 | sing | 1.08Å | 1.08Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| C2 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | CAD | CAJ | 119.8° | 122.2° |
| O35 | CAD | CAC | 119.7° | 122.1° |
| O3P | P | O2P | 110.1° | 109.4° |
| O3P | P | O5' | 107.5° | 109.5° |
| O3P | P | O1P | 120.6° | 109.4° |
| O34 | CAR | CAQ | 120.8° | 120.0° |
| O34 | CAR | O2P | 121.1° | 120.0° |
| CAJ | CAD | CAC | 120.4° | 115.8° |
| CAD | CAJ | CAK | 120.1° | 118.0° |
| CAD | CAJ | H6 | 120.0° | 121.1° |
| CAD | CAC | OBF | 119.3° | 122.0° |
| CAD | CAC | CAS | 120.2° | 115.9° |
| CAJ | CAK | CAP | 117.5° | 119.4° |
| CAJ | CAK | CAH | 119.6° | 121.3° |
| CAK | CAJ | H6 | 120.0° | 121.0° |
| N6 | C6 | N1 | 118.4° | 120.8° |
| N6 | C6 | C5 | 121.8° | 120.7° |
| C6 | N6 | H16 | 109.5° | 120.0° |
| C6 | N6 | H17 | 109.5° | 120.0° |
| OBF | CAC | CAS | 120.5° | 122.1° |
| CAK | CAP | CAQ | 123.9° | 120.0° |
| CAP | CAK | CAH | 122.9° | 119.4° |
| CAK | CAP | H3 | 118.1° | 120.0° |
| CAP | CAQ | CAR | 119.3° | 120.0° |
| CAP | CAQ | H2 | 120.4° | 120.0° |
| CAQ | CAP | H3 | 118.1° | 120.0° |
| CAC | CAS | CAH | 119.4° | 118.6° |
| CAC | CAS | H5 | 120.3° | 120.7° |
| CAK | CAH | CAS | 120.2° | 121.6° |
| CAK | CAH | H4 | 119.9° | 119.2° |
| C6 | N1 | C2 | 120.8° | 121.2° |
| N1 | C6 | C5 | 119.8° | 118.4° |
| N1 | C2 | N3 | 121.2° | 122.5° |
| N1 | C2 | H18 | 119.4° | 118.7° |
| CAQ | CAR | O2P | 118.1° | 120.0° |
| CAR | CAQ | H2 | 120.4° | 120.0° |
| CAR | O2P | P | 126.5° | 117.0° |
| C6 | C5 | N7 | 134.9° | 134.7° |
| C6 | C5 | C4 | 118.1° | 118.1° |
| C2 | N3 | C4 | 120.2° | 120.6° |
| N3 | C2 | H18 | 119.4° | 118.7° |
| N7 | C5 | C4 | 107.0° | 107.2° |
| C5 | N7 | C8 | 107.2° | 109.4° |
| C5 | C4 | N3 | 120.0° | 119.1° |
| C5 | C4 | N9 | 108.2° | 106.0° |
| CAS | CAH | H4 | 119.9° | 119.2° |
| CAH | CAS | H5 | 120.3° | 120.7° |
| N7 | C8 | N9 | 109.2° | 109.9° |
| N7 | C8 | H15 | 125.4° | 125.0° |
| N3 | C4 | N9 | 131.8° | 134.9° |
| C4 | N9 | C8 | 108.3° | 107.5° |
| C4 | N9 | C1' | 124.9° | 126.3° |
| C8 | N9 | C1' | 126.8° | 126.2° |
| N9 | C8 | H15 | 125.4° | 125.0° |
| C1' | O4' | C4' | 109.8° | 105.3° |
| O4' | C1' | N9 | 110.0° | 110.4° |
| O4' | C1' | C2' | 106.1° | 104.8° |
| O4' | C1' | H10 | 110.7° | 110.4° |
| O4' | C4' | C5' | 112.1° | 110.4° |
| O4' | C4' | C3' | 105.3° | 104.8° |
| O4' | C4' | H9 | 109.8° | 110.5° |
| N9 | C1' | C2' | 110.6° | 110.4° |
| N9 | C1' | H10 | 109.9° | 110.4° |
| O2P | P | O5' | 104.9° | 109.5° |
| O2P | P | O1P | 102.7° | 109.5° |
| O5' | P | O1P | 110.0° | 109.5° |
| P | O5' | C5' | 119.7° | 123.0° |
| P | O1P | H1 | 109.5° | 113.9° |
| O5' | C5' | C4' | 109.2° | 109.5° |
| O5' | C5' | H7 | 109.6° | 109.5° |
| O5' | C5' | H8 | 109.6° | 109.4° |
| C1' | C2' | O2' | 108.0° | 110.5° |
| C1' | C2' | C3' | 103.0° | 104.1° |
| C2' | C1' | H10 | 109.4° | 110.4° |
| C1' | C2' | H11 | 111.4° | 110.5° |
| C5' | C4' | C3' | 112.1° | 110.4° |
| C4' | C5' | H7 | 109.5° | 109.5° |
| C4' | C5' | H8 | 109.5° | 109.5° |
| C5' | C4' | H9 | 108.7° | 110.3° |
| C4' | C3' | C2' | 101.1° | 104.1° |
| C4' | C3' | O3' | 111.5° | 110.5° |
| C3' | C4' | H9 | 108.7° | 110.4° |
| C4' | C3' | H13 | 110.1° | 110.5° |
| O2' | C2' | C3' | 109.6° | 110.5° |
| O2' | C2' | H11 | 112.9° | 110.5° |
| C2' | O2' | H12 | 109.5° | 114.0° |
| C2' | C3' | O3' | 112.3° | 110.5° |
| C3' | C2' | H11 | 111.5° | 110.6° |
| C2' | C3' | H13 | 110.0° | 110.5° |
| O3' | C3' | H13 | 111.4° | 110.5° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| H7 | C5' | H8 | 109.5° | 109.5° |
| H16 | N6 | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | CAD | CAJ | CAC | 179.8° | 179.6° |
| O35 | CAD | CAJ | CAK | 179.7° | 156.8° |
| O35 | CAD | CAC | OBF | 0.0° | 35.3° |
| O35 | CAD | CAC | CAS | 179.7° | 144.7° |
| O35 | CAD | CAJ | H6 | 0.3° | 23.7° |
| O3P | P | O2P | CAR | 59.5° | 55.0° |
| O3P | P | O2P | O5' | 115.4° | 120.0° |
| O3P | P | O2P | O1P | 129.6° | 119.9° |
| O3P | P | O5' | O1P | 133.1° | 120.0° |
| O3P | P | O5' | C5' | 164.8° | 55.0° |
| O3P | P | O1P | H1 | 0.0° | 179.9° |
| O34 | CAR | CAQ | CAP | 28.1° | 0.1° |
| O34 | CAR | CAQ | O2P | 179.9° | 180.0° |
| O34 | CAR | O2P | P | 12.7° | 0.0° |
| O34 | CAR | CAQ | H2 | 151.9° | 180.0° |
| CAD | CAJ | CAK | H6 | 180.0° | 179.6° |
| CAJ | CAD | CAC | OBF | 179.8° | 145.1° |
| CAD | CAJ | CAK | CAP | 179.0° | 179.6° |
| CAJ | CAD | CAC | CAS | 0.1° | 34.9° |
| CAD | CAJ | CAK | CAH | 0.1° | 0.6° |
| CAC | CAD | CAJ | CAK | 0.1° | 22.8° |
| CAD | CAC | OBF | CAS | 179.7° | 179.9° |
| CAD | CAC | CAS | CAH | 0.1° | 23.5° |
| CAD | CAC | CAS | H5 | 179.9° | 156.6° |
| CAC | CAD | CAJ | H6 | 179.8° | 156.8° |
| CAJ | CAK | CAP | CAH | 178.8° | 179.8° |
| CAJ | CAK | CAP | CAQ | 170.7° | 179.8° |
| CAJ | CAK | CAH | CAS | 0.4° | 13.3° |
| CAJ | CAK | CAP | H3 | 9.3° | 0.3° |
| CAJ | CAK | CAH | H4 | 179.6° | 166.8° |
| N6 | C6 | N1 | C5 | 180.0° | 179.9° |
| N6 | C6 | N1 | C2 | 179.7° | 180.0° |
| N6 | C6 | C5 | N7 | 0.2° | 0.1° |
| N6 | C6 | C5 | C4 | 179.5° | 179.6° |
| C6 | N6 | H16 | H17 | 120.0° | 180.0° |
| OBF | CAC | CAS | CAH | 179.6° | 156.5° |
| OBF | CAC | CAS | H5 | 0.4° | 23.4° |
| CAK | CAP | CAQ | H3 | 180.0° | 179.9° |
| CAK | CAP | CAQ | CAR | 179.2° | 180.0° |
| CAP | CAK | CAH | CAS | 179.1° | 167.0° |
| CAK | CAP | CAQ | H2 | 0.8° | 0.1° |
| CAP | CAK | CAH | H4 | 0.8° | 13.0° |
| CAP | CAK | CAJ | H6 | 1.1° | 0.0° |
| CAQ | CAP | CAK | CAH | 8.1° | 0.0° |
| CAP | CAQ | CAR | H2 | 180.0° | 179.9° |
| CAP | CAQ | CAR | O2P | 152.0° | 180.0° |
| CAC | CAS | CAH | CAK | 0.4° | 0.1° |
| CAC | CAS | CAH | H5 | 180.0° | 179.9° |
| CAC | CAS | CAH | H4 | 179.6° | 179.9° |
| CAK | CAH | CAS | H4 | 180.0° | 180.0° |
| CAH | CAK | CAP | H3 | 171.9° | 180.0° |
| CAK | CAH | CAS | H5 | 179.6° | 179.7° |
| CAH | CAK | CAJ | H6 | 179.9° | 179.8° |
| C6 | N1 | C2 | N3 | 0.1° | 0.4° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| N1 | C6 | C5 | C4 | 0.5° | 0.3° |
| N1 | C6 | N6 | H16 | 0.0° | 180.0° |
| N1 | C6 | N6 | H17 | 120.0° | 0.1° |
| C6 | N1 | C2 | H18 | 179.9° | 179.9° |
| C2 | N1 | C6 | C5 | 0.3° | 0.0° |
| N1 | C2 | N3 | H18 | 180.0° | 179.7° |
| N1 | C2 | N3 | C4 | 0.1° | 0.4° |
| CAQ | CAR | O2P | P | 167.3° | 179.9° |
| CAR | CAQ | CAP | H3 | 0.8° | 0.1° |
| CAR | O2P | P | O5' | 55.9° | 175.0° |
| CAR | O2P | P | O1P | 170.8° | 64.9° |
| O2P | CAR | CAQ | H2 | 28.0° | 0.1° |
| C6 | C5 | N7 | C4 | 179.7° | 179.8° |
| C6 | C5 | N7 | C8 | 179.8° | 180.0° |
| C6 | C5 | C4 | N3 | 0.5° | 0.2° |
| C6 | C5 | C4 | N9 | 179.8° | 179.8° |
| C5 | C6 | N6 | H16 | 180.0° | 0.1° |
| C5 | C6 | N6 | H17 | 60.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.1° |
| C2 | N3 | C4 | N9 | 179.8° | 179.2° |
| N7 | C5 | C4 | N3 | 179.8° | 180.0° |
| N7 | C5 | C4 | N9 | 0.1° | 0.4° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| C5 | N7 | C8 | H15 | 179.8° | 180.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.3° |
| C5 | C4 | N3 | N9 | 179.7° | 179.3° |
| C5 | C4 | N9 | C8 | 0.1° | 0.4° |
| C5 | C4 | N9 | C1' | 179.9° | 179.8° |
| N7 | C8 | N9 | C4 | 0.2° | 0.3° |
| N7 | C8 | N9 | H15 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 179.8° | 180.0° |
| N3 | C4 | N9 | C8 | 179.6° | 179.8° |
| N3 | C4 | N9 | C1' | 0.4° | 0.4° |
| C4 | N3 | C2 | H18 | 179.9° | 179.9° |
| C4 | N9 | C8 | C1' | 179.9° | 179.8° |
| C4 | N9 | C1' | O4' | 161.6° | 156.8° |
| C4 | N9 | C1' | C2' | 81.5° | 87.9° |
| C4 | N9 | C1' | H10 | 39.4° | 34.4° |
| C4 | N9 | C8 | H15 | 179.8° | 179.8° |
| C8 | N9 | C1' | O4' | 18.3° | 23.5° |
| C8 | N9 | C1' | C2' | 98.6° | 91.8° |
| C8 | N9 | C1' | H10 | 140.5° | 145.9° |
| O4' | C1' | N9 | C2' | 116.9° | 115.4° |
| O4' | C1' | N9 | H10 | 122.2° | 122.3° |
| O4' | C1' | C2' | H10 | 119.5° | 118.8° |
| C1' | O4' | C4' | C5' | 144.1° | 159.3° |
| C1' | O4' | C4' | C3' | 22.0° | 40.5° |
| O4' | C1' | C2' | O2' | 91.4° | 142.6° |
| O4' | C1' | C2' | C3' | 24.4° | 24.0° |
| C1' | O4' | C4' | H9 | 94.9° | 78.3° |
| O4' | C1' | C2' | H11 | 144.1° | 94.8° |
| C4' | O4' | C1' | N9 | 117.9° | 159.3° |
| O4' | C4' | C5' | O5' | 62.5° | 69.6° |
| C4' | O4' | C1' | C2' | 1.7° | 40.5° |
| O4' | C4' | C5' | C3' | 118.1° | 115.4° |
| O4' | C4' | C5' | H9 | 121.6° | 122.4° |
| O4' | C4' | C3' | H9 | 117.6° | 119.0° |
| O4' | C4' | C3' | C2' | 36.2° | 24.0° |
| O4' | C4' | C3' | O3' | 155.7° | 142.6° |
| O4' | C4' | C5' | H7 | 57.4° | 50.4° |
| O4' | C4' | C5' | H8 | 177.5° | 170.4° |
| C4' | O4' | C1' | H10 | 120.4° | 78.3° |
| O4' | C4' | C3' | H13 | 80.2° | 94.7° |
| N9 | C1' | C2' | H10 | 121.2° | 122.3° |
| N9 | C1' | C2' | O2' | 149.3° | 98.6° |
| N9 | C1' | C2' | C3' | 94.8° | 142.8° |
| N9 | C1' | C2' | H11 | 24.8° | 24.0° |
| C1' | N9 | C8 | H15 | 0.2° | 0.0° |
| O2P | P | O5' | O1P | 109.7° | 120.0° |
| O2P | P | O5' | C5' | 47.6° | 175.0° |
| O2P | P | O1P | H1 | 122.8° | 60.0° |
| P | O5' | C5' | C4' | 174.4° | 180.0° |
| O5' | P | O1P | H1 | 126.0° | 60.0° |
| P | O5' | C5' | H7 | 54.4° | 60.0° |
| P | O5' | C5' | H8 | 65.7° | 60.0° |
| O1P | P | O5' | C5' | 62.1° | 65.0° |
| O5' | C5' | C4' | H7 | 120.0° | 120.0° |
| O5' | C5' | C4' | H8 | 120.0° | 120.0° |
| O5' | C5' | C4' | C3' | 179.3° | 175.0° |
| O5' | C5' | H7 | H8 | 120.2° | 120.0° |
| O5' | C5' | C4' | H9 | 59.1° | 52.8° |
| C1' | C2' | C3' | C4' | 36.3° | 0.0° |
| C1' | C2' | O2' | C3' | 111.5° | 114.6° |
| C1' | C2' | O2' | H11 | 123.6° | 122.6° |
| C1' | C2' | C3' | H11 | 119.6° | 118.7° |
| C1' | C2' | C3' | O3' | 155.2° | 118.6° |
| C1' | C2' | O2' | H12 | 180.0° | 180.0° |
| C1' | C2' | C3' | H13 | 80.1° | 118.7° |
| C5' | C4' | C3' | H9 | 120.3° | 122.2° |
| C5' | C4' | C3' | C2' | 158.2° | 142.8° |
| C5' | C4' | C3' | O3' | 82.2° | 98.5° |
| C4' | C5' | H7 | H8 | 120.1° | 120.0° |
| C5' | C4' | C3' | H13 | 41.9° | 24.2° |
| C4' | C3' | C2' | O2' | 78.4° | 118.6° |
| C4' | C3' | C2' | O3' | 119.0° | 118.6° |
| C4' | C3' | C2' | H13 | 116.4° | 118.7° |
| C4' | C3' | O3' | H13 | 123.4° | 122.7° |
| C3' | C4' | C5' | H7 | 60.7° | 65.0° |
| C3' | C4' | C5' | H8 | 59.4° | 55.0° |
| C4' | C3' | C2' | H11 | 155.9° | 118.7° |
| C4' | C3' | O3' | H14 | 180.0° | 180.0° |
| O2' | C2' | C3' | H11 | 125.7° | 122.6° |
| O2' | C2' | C3' | O3' | 40.5° | 0.0° |
| O2' | C2' | C1' | H10 | 28.1° | 23.8° |
| O2' | C2' | C3' | H13 | 165.2° | 122.7° |
| C2' | C3' | O3' | H13 | 123.9° | 122.7° |
| C2' | C3' | C4' | H9 | 81.5° | 95.0° |
| C3' | C2' | C1' | H10 | 144.0° | 94.8° |
| C3' | C2' | O2' | H12 | 68.5° | 65.4° |
| C2' | C3' | O3' | H14 | 67.3° | 65.4° |
| O3' | C3' | C4' | H9 | 38.0° | 23.7° |
| O3' | C3' | C2' | H11 | 85.2° | 122.6° |
| H2 | CAQ | CAP | H3 | 179.2° | 180.0° |
| H4 | CAH | CAS | H5 | 0.4° | 0.2° |
| H7 | C5' | C4' | H9 | 179.0° | 172.8° |
| H8 | C5' | C4' | H9 | 60.9° | 67.2° |
| H9 | C4' | C3' | H13 | 162.2° | 146.3° |
| H10 | C1' | C2' | H11 | 96.4° | 146.4° |
| H11 | C2' | O2' | H12 | 56.4° | 57.3° |
| H11 | C2' | C3' | H13 | 39.5° | 0.1° |
| H13 | C3' | O3' | H14 | 56.6° | 57.3° |
