CPR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.47Å | |
| P | O2P | sing | 1.61Å | 1.49Å | |
| P | O3P | sing | 1.61Å | 1.46Å | |
| P | O5' | sing | 1.61Å | 1.58Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.49Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.32Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.31Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | CL | sing | 1.74Å | 1.77Å | |
| C6 | N1 | doub | 1.32Å | 1.37Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 117.2° | 109.5° |
| O1P | P | O3P | 111.8° | 109.4° |
| O1P | P | O5' | 102.0° | 109.5° |
| O2P | P | O3P | 114.9° | 109.5° |
| O2P | P | O5' | 103.5° | 109.5° |
| P | O2P | HOP2 | 117.2° | 106.8° |
| O3P | P | O5' | 105.2° | 109.5° |
| P | O3P | HOP3 | 111.8° | 106.8° |
| P | O5' | C5' | 119.8° | 106.8° |
| O5' | C5' | C4' | 108.8° | 109.5° |
| O5' | C5' | H5'1 | 112.4° | 109.5° |
| O5' | C5' | H5'2 | 112.4° | 109.5° |
| C4' | C5' | H5'1 | 112.5° | 109.5° |
| C4' | C5' | H5'2 | 112.4° | 109.5° |
| C5' | C4' | O4' | 109.6° | 110.4° |
| C5' | C4' | C3' | 105.1° | 110.7° |
| C5' | C4' | H4' | 110.7° | 110.3° |
| H5'1 | C5' | H5'2 | 98.0° | 109.5° |
| O4' | C4' | C3' | 104.7° | 104.7° |
| O4' | C4' | H4' | 111.1° | 110.4° |
| C4' | O4' | C1' | 110.5° | 105.4° |
| C3' | C4' | H4' | 115.3° | 110.3° |
| C4' | C3' | O3' | 120.0° | 110.5° |
| C4' | C3' | C2' | 98.6° | 104.2° |
| C4' | C3' | H3' | 110.6° | 110.5° |
| O4' | C1' | C2' | 102.1° | 104.8° |
| O4' | C1' | N9 | 116.2° | 110.5° |
| O4' | C1' | H1' | 113.6° | 110.4° |
| O3' | C3' | C2' | 111.0° | 110.5° |
| O3' | C3' | H3' | 98.3° | 110.5° |
| C3' | O3' | HO3' | 120.0° | 106.8° |
| C2' | C3' | H3' | 119.7° | 110.5° |
| C3' | C2' | O2' | 110.8° | 110.5° |
| C3' | C2' | C1' | 105.9° | 104.0° |
| C3' | C2' | H2' | 111.9° | 110.5° |
| O2' | C2' | C1' | 112.3° | 110.6° |
| O2' | C2' | H2' | 105.5° | 110.5° |
| C2' | O2' | HO2' | 110.9° | 106.7° |
| C1' | C2' | H2' | 110.4° | 110.5° |
| C2' | C1' | N9 | 118.1° | 110.4° |
| C2' | C1' | H1' | 111.5° | 110.3° |
| N9 | C1' | H1' | 95.8° | 110.4° |
| C1' | N9 | C8 | 130.9° | 126.3° |
| C1' | N9 | C4 | 124.7° | 126.3° |
| C8 | N9 | C4 | 104.2° | 107.5° |
| N9 | C8 | N7 | 115.2° | 110.1° |
| N9 | C8 | H8 | 123.7° | 124.9° |
| N9 | C4 | C5 | 105.9° | 106.0° |
| N9 | C4 | N3 | 136.8° | 135.0° |
| N7 | C8 | H8 | 121.2° | 125.0° |
| C8 | N7 | C5 | 101.5° | 109.5° |
| N7 | C5 | C6 | 122.5° | 134.7° |
| N7 | C5 | C4 | 113.1° | 107.0° |
| C6 | C5 | C4 | 124.4° | 118.2° |
| C5 | C6 | CL | 115.9° | 120.7° |
| C5 | C6 | N1 | 111.5° | 118.6° |
| C5 | C4 | N3 | 117.3° | 119.0° |
| CL | C6 | N1 | 122.3° | 120.7° |
| C6 | N1 | C2 | 127.7° | 121.3° |
| C6 | N1 | HN1 | 117.0° | 119.3° |
| C2 | N1 | HN1 | 115.3° | 119.3° |
| N1 | C2 | N3 | 116.9° | 122.4° |
| N1 | C2 | H2 | 121.2° | 118.8° |
| N3 | C2 | H2 | 121.9° | 118.8° |
| C2 | N3 | C4 | 122.1° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 134.5° | 119.9° |
| O1P | P | O2P | O5' | 111.4° | 120.0° |
| O1P | P | O3P | O5' | 110.0° | 120.0° |
| O1P | P | O2P | HOP2 | 180.0° | 179.9° |
| O1P | P | O3P | HOP3 | 180.0° | 60.0° |
| O1P | P | O5' | C5' | 179.7° | 55.0° |
| O2P | P | O3P | O5' | 113.2° | 120.0° |
| O2P | P | O3P | HOP3 | 43.2° | 60.0° |
| O2P | P | O5' | C5' | 58.2° | 65.0° |
| O3P | P | O2P | HOP2 | 45.6° | 60.0° |
| O3P | P | O5' | C5' | 62.8° | 175.0° |
| O5' | P | O2P | HOP2 | 68.5° | 60.1° |
| O5' | P | O3P | HOP3 | 70.0° | 180.0° |
| P | O5' | C5' | C4' | 158.3° | 180.0° |
| P | O5' | C5' | H5'1 | 76.4° | 60.0° |
| P | O5' | C5' | H5'2 | 33.1° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 118.3° | 120.0° |
| O5' | C5' | C4' | O4' | 51.7° | 66.4° |
| O5' | C5' | C4' | C3' | 163.8° | 178.1° |
| O5' | C5' | C4' | H4' | 71.2° | 55.8° |
| C4' | C5' | H5'1 | H5'2 | 118.4° | 120.0° |
| C5' | C4' | O4' | C3' | 112.3° | 119.1° |
| C5' | C4' | O4' | H4' | 122.7° | 122.2° |
| C5' | C4' | C3' | H4' | 122.2° | 122.3° |
| C5' | C4' | O4' | C1' | 141.3° | 159.5° |
| C5' | C4' | C3' | O3' | 83.4° | 98.5° |
| C5' | C4' | C3' | C2' | 156.3° | 142.7° |
| C5' | C4' | C3' | H3' | 29.9° | 24.0° |
| H5'1 | C5' | C4' | O4' | 73.5° | 173.6° |
| H5'1 | C5' | C4' | C3' | 38.5° | 58.1° |
| H5'1 | C5' | C4' | H4' | 163.6° | 64.2° |
| H5'2 | C5' | C4' | O4' | 177.0° | 53.6° |
| H5'2 | C5' | C4' | C3' | 71.0° | 61.9° |
| H5'2 | C5' | C4' | H4' | 54.0° | 175.8° |
| O4' | C4' | C3' | H4' | 122.4° | 118.7° |
| O4' | C4' | C3' | O3' | 161.1° | 142.5° |
| O4' | C4' | C3' | C2' | 40.8° | 23.8° |
| O4' | C4' | C3' | H3' | 85.6° | 94.9° |
| C4' | O4' | C1' | C2' | 3.5° | 40.4° |
| C4' | O4' | C1' | N9 | 133.5° | 159.3° |
| C4' | O4' | C1' | H1' | 116.8° | 78.4° |
| C3' | C4' | O4' | C1' | 29.0° | 40.3° |
| C4' | C3' | O3' | C2' | 114.0° | 114.8° |
| C4' | C3' | O3' | H3' | 119.7° | 122.6° |
| C4' | C3' | C2' | H3' | 119.8° | 118.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 178.1° |
| C4' | C3' | C2' | O2' | 82.9° | 118.8° |
| C4' | C3' | C2' | C1' | 39.1° | 0.1° |
| C4' | C3' | C2' | H2' | 159.6° | 118.5° |
| H4' | C4' | O4' | C1' | 96.0° | 78.3° |
| H4' | C4' | C3' | O3' | 38.8° | 23.8° |
| H4' | C4' | C3' | C2' | 81.6° | 94.9° |
| H4' | C4' | C3' | H3' | 152.1° | 146.4° |
| O4' | C1' | C2' | C3' | 23.0° | 24.0° |
| O4' | C1' | C2' | O2' | 98.2° | 142.7° |
| O4' | C1' | C2' | N9 | 128.8° | 119.0° |
| O4' | C1' | C2' | H1' | 121.7° | 118.8° |
| O4' | C1' | C2' | H2' | 144.4° | 94.7° |
| O4' | C1' | N9 | H1' | 119.9° | 122.3° |
| O4' | C1' | N9 | C8 | 87.5° | 20.4° |
| O4' | C1' | N9 | C4 | 97.9° | 159.8° |
| O3' | C3' | C2' | H3' | 113.3° | 122.6° |
| O3' | C3' | C2' | O2' | 43.9° | 0.1° |
| O3' | C3' | C2' | C1' | 166.0° | 118.7° |
| O3' | C3' | C2' | H2' | 73.6° | 122.7° |
| C2' | C3' | O3' | HO3' | 66.0° | 63.3° |
| C3' | C2' | O2' | C1' | 118.3° | 114.7° |
| C3' | C2' | O2' | H2' | 121.4° | 122.6° |
| C3' | C2' | C1' | H2' | 121.4° | 118.6° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.5° |
| C3' | C2' | C1' | N9 | 105.8° | 142.9° |
| C3' | C2' | C1' | H1' | 144.7° | 94.8° |
| H3' | C3' | O3' | HO3' | 60.3° | 59.3° |
| H3' | C3' | C2' | O2' | 157.2° | 122.5° |
| H3' | C3' | C2' | C1' | 80.7° | 118.8° |
| H3' | C3' | C2' | H2' | 39.7° | 0.2° |
| O2' | C2' | C1' | H2' | 117.5° | 122.7° |
| O2' | C2' | C1' | N9 | 133.1° | 98.4° |
| O2' | C2' | C1' | H1' | 23.6° | 23.9° |
| C1' | C2' | O2' | HO2' | 61.7° | 176.2° |
| C2' | C1' | N9 | H1' | 118.2° | 122.2° |
| C2' | C1' | N9 | C8 | 34.3° | 95.0° |
| C2' | C1' | N9 | C4 | 140.2° | 84.8° |
| H2' | C2' | O2' | HO2' | 58.7° | 61.1° |
| H2' | C2' | C1' | N9 | 15.6° | 24.3° |
| H2' | C2' | C1' | H1' | 93.9° | 146.5° |
| C1' | N9 | C8 | C4 | 175.4° | 179.8° |
| C1' | N9 | C8 | N7 | 174.6° | 180.0° |
| C1' | N9 | C8 | H8 | 5.4° | 0.0° |
| C1' | N9 | C4 | C5 | 172.7° | 179.9° |
| C1' | N9 | C4 | N3 | 5.7° | 0.6° |
| H1' | C1' | N9 | C8 | 152.5° | 142.7° |
| H1' | C1' | N9 | C4 | 22.0° | 37.5° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 2.0° | 0.0° |
| C8 | N9 | C4 | C5 | 3.1° | 0.3° |
| C8 | N9 | C4 | N3 | 178.6° | 179.6° |
| C4 | N9 | C8 | N7 | 0.7° | 0.2° |
| C4 | N9 | C8 | H8 | 179.3° | 179.8° |
| N9 | C4 | C5 | N7 | 4.7° | 0.3° |
| N9 | C4 | C5 | C6 | 177.2° | 179.9° |
| N9 | C4 | C5 | N3 | 178.8° | 179.4° |
| N9 | C4 | N3 | C2 | 179.0° | 179.7° |
| C8 | N7 | C5 | C6 | 177.9° | 179.9° |
| C8 | N7 | C5 | C4 | 4.1° | 0.2° |
| H8 | C8 | N7 | C5 | 177.9° | 180.0° |
| N7 | C5 | C6 | C4 | 177.8° | 179.7° |
| N7 | C5 | C6 | CL | 28.8° | 0.1° |
| N7 | C5 | C6 | N1 | 174.9° | 180.0° |
| N7 | C5 | C4 | N3 | 176.5° | 179.7° |
| C5 | C6 | CL | N1 | 142.1° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.0° |
| C5 | C6 | N1 | HN1 | 179.7° | 180.0° |
| C6 | C5 | C4 | N3 | 1.5° | 0.5° |
| C4 | C5 | C6 | CL | 149.0° | 179.8° |
| C4 | C5 | C6 | N1 | 2.9° | 0.2° |
| C5 | C4 | N3 | C2 | 2.8° | 0.5° |
| CL | C6 | N1 | C2 | 143.8° | 180.0° |
| CL | C6 | N1 | HN1 | 36.2° | 0.0° |
| C6 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 3.6° | 0.0° |
| C6 | N1 | C2 | H2 | 176.4° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 5.1° | 0.3° |
| HN1 | N1 | C2 | N3 | 176.4° | 180.0° |
| HN1 | N1 | C2 | H2 | 3.6° | 0.0° |
| H2 | C2 | N3 | C4 | 174.9° | 179.7° |
