PRN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| N7 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| C1' | C2' | sing | 1.54Å | 1.51Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| C2' | H2'' | sing | 1.09Å | 1.11Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.45Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | H5' | sing | 1.09Å | 1.12Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 117.6° | 121.3° |
| N1 | C2 | N3 | 128.5° | 122.4° |
| N1 | C2 | H2 | 116.9° | 118.8° |
| N1 | C6 | C5 | 119.0° | 118.6° |
| N1 | C6 | H6 | 118.5° | 120.7° |
| N3 | C2 | H2 | 114.6° | 118.8° |
| C2 | N3 | C4 | 113.3° | 120.4° |
| N3 | C4 | C5 | 123.3° | 119.0° |
| N3 | C4 | N9 | 127.2° | 135.0° |
| C5 | C4 | N9 | 109.6° | 106.0° |
| C4 | C5 | C6 | 118.5° | 118.2° |
| C4 | C5 | N7 | 105.5° | 107.0° |
| C4 | N9 | C8 | 104.6° | 107.5° |
| C4 | N9 | C1' | 126.0° | 126.3° |
| C6 | C5 | N7 | 136.1° | 134.7° |
| C5 | C6 | H6 | 122.5° | 120.7° |
| C5 | N7 | C8 | 106.3° | 109.4° |
| N7 | C8 | N9 | 114.1° | 110.1° |
| N7 | C8 | H8 | 123.7° | 124.9° |
| N9 | C8 | H8 | 122.2° | 125.0° |
| C8 | N9 | C1' | 129.4° | 126.2° |
| N9 | C1' | C2' | 116.3° | 110.4° |
| N9 | C1' | O4' | 108.2° | 110.5° |
| N9 | C1' | H1' | 104.1° | 110.3° |
| C2' | C1' | O4' | 103.9° | 104.8° |
| C2' | C1' | H1' | 108.4° | 110.4° |
| C1' | C2' | C3' | 100.6° | 104.0° |
| C1' | C2' | H2' | 115.6° | 110.5° |
| C1' | C2' | H2'' | 115.6° | 110.5° |
| O4' | C1' | H1' | 116.4° | 110.4° |
| C1' | O4' | C4' | 106.8° | 105.4° |
| C3' | C2' | H2' | 115.6° | 110.5° |
| C3' | C2' | H2'' | 115.6° | 110.5° |
| C2' | C3' | O3' | 108.2° | 110.5° |
| C2' | C3' | C4' | 103.3° | 104.2° |
| C2' | C3' | H3' | 114.1° | 110.5° |
| H2' | C2' | H2'' | 94.8° | 110.6° |
| O3' | C3' | C4' | 109.0° | 110.5° |
| O3' | C3' | H3' | 108.8° | 110.5° |
| C3' | O3' | HO3' | 108.2° | 106.8° |
| C4' | C3' | H3' | 113.2° | 110.5° |
| C3' | C4' | O4' | 106.3° | 104.7° |
| C3' | C4' | C5' | 115.9° | 110.7° |
| C3' | C4' | H4' | 107.9° | 110.3° |
| O4' | C4' | C5' | 111.4° | 110.4° |
| O4' | C4' | H4' | 112.8° | 110.4° |
| C5' | C4' | H4' | 102.6° | 110.3° |
| C4' | C5' | O5' | 110.8° | 109.5° |
| C4' | C5' | H5' | 111.7° | 109.5° |
| C4' | C5' | H5'' | 111.7° | 109.5° |
| O5' | C5' | H5' | 111.8° | 109.5° |
| O5' | C5' | H5'' | 111.8° | 109.4° |
| C5' | O5' | P | 120.4° | 106.9° |
| H5' | C5' | H5'' | 98.6° | 109.4° |
| O5' | P | OP1 | 108.6° | 109.4° |
| O5' | P | OP2 | 108.7° | 109.5° |
| O5' | P | OP3 | 103.7° | 109.5° |
| OP1 | P | OP2 | 119.6° | 109.4° |
| OP1 | P | OP3 | 107.8° | 109.5° |
| OP2 | P | OP3 | 107.2° | 109.5° |
| P | OP2 | HOP2 | 108.8° | 106.8° |
| P | OP3 | HOP3 | 103.7° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.3° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | H6 | 179.9° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.0° |
| C6 | N1 | C2 | H2 | 180.0° | 179.9° |
| N1 | C6 | C5 | C4 | 0.2° | 0.2° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.5° |
| C2 | N3 | C4 | N9 | 179.9° | 179.5° |
| H2 | C2 | N3 | C4 | 180.0° | 179.8° |
| N3 | C4 | C5 | N9 | 180.0° | 179.2° |
| N3 | C4 | C5 | C6 | 0.2° | 0.5° |
| N3 | C4 | C5 | N7 | 179.9° | 179.7° |
| N3 | C4 | N9 | C8 | 179.9° | 179.5° |
| N3 | C4 | N9 | C1' | 0.3° | 0.8° |
| C4 | C5 | C6 | N7 | 179.9° | 179.8° |
| C4 | C5 | C6 | H6 | 179.8° | 179.7° |
| C4 | C5 | N7 | C8 | 0.1° | 0.2° |
| C5 | C4 | N9 | C8 | 0.1° | 0.4° |
| C5 | C4 | N9 | C1' | 179.7° | 179.9° |
| N9 | C4 | C5 | C6 | 179.8° | 179.8° |
| N9 | C4 | C5 | N7 | 0.1° | 0.4° |
| C4 | N9 | C8 | N7 | 0.0° | 0.3° |
| C4 | N9 | C8 | C1' | 179.8° | 179.7° |
| C4 | N9 | C8 | H8 | 180.0° | 179.8° |
| C4 | N9 | C1' | C2' | 153.7° | 89.6° |
| C4 | N9 | C1' | O4' | 89.8° | 154.9° |
| C4 | N9 | C1' | H1' | 34.6° | 32.6° |
| C6 | C5 | N7 | C8 | 179.8° | 180.0° |
| N7 | C5 | C6 | H6 | 0.1° | 0.0° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| C5 | N7 | C8 | H8 | 179.9° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 179.7° | 180.0° |
| C8 | N9 | C1' | C2' | 26.0° | 90.0° |
| C8 | N9 | C1' | O4' | 90.4° | 25.5° |
| C8 | N9 | C1' | H1' | 145.1° | 147.8° |
| H8 | C8 | N9 | C1' | 0.3° | 0.1° |
| N9 | C1' | C2' | O4' | 118.8° | 119.0° |
| N9 | C1' | C2' | H1' | 116.8° | 122.2° |
| N9 | C1' | O4' | H1' | 116.7° | 122.3° |
| N9 | C1' | C2' | C3' | 162.4° | 142.9° |
| N9 | C1' | C2' | H2' | 72.3° | 24.3° |
| N9 | C1' | C2' | H2'' | 37.1° | 98.4° |
| N9 | C1' | O4' | C4' | 163.8° | 159.4° |
| C2' | C1' | O4' | H1' | 119.0° | 118.8° |
| C1' | C2' | C3' | H2' | 125.3° | 118.6° |
| C1' | C2' | C3' | H2'' | 125.3° | 118.7° |
| C1' | C2' | H2' | H2'' | 121.4° | 122.7° |
| C1' | C2' | C3' | O3' | 84.8° | 118.7° |
| C1' | C2' | C3' | C4' | 30.7° | 0.0° |
| C1' | C2' | C3' | H3' | 154.0° | 118.8° |
| C2' | C1' | O4' | C4' | 39.6° | 40.5° |
| O4' | C1' | C2' | C3' | 43.6° | 24.0° |
| O4' | C1' | C2' | H2' | 168.9° | 94.6° |
| O4' | C1' | C2' | H2'' | 81.7° | 142.6° |
| C1' | O4' | C4' | C3' | 19.0° | 40.4° |
| C1' | O4' | C4' | C5' | 146.1° | 159.5° |
| C1' | O4' | C4' | H4' | 99.1° | 78.3° |
| H1' | C1' | C2' | C3' | 80.8° | 94.9° |
| H1' | C1' | C2' | H2' | 44.5° | 146.5° |
| H1' | C1' | C2' | H2'' | 153.9° | 23.8° |
| H1' | C1' | O4' | C4' | 79.4° | 78.4° |
| C3' | C2' | H2' | H2'' | 121.5° | 122.7° |
| C2' | C3' | O3' | C4' | 111.7° | 114.8° |
| C2' | C3' | O3' | H3' | 124.4° | 122.6° |
| C2' | C3' | C4' | H3' | 123.9° | 118.7° |
| C2' | C3' | O3' | HO3' | 179.9° | 63.3° |
| C2' | C3' | C4' | O4' | 8.7° | 23.8° |
| C2' | C3' | C4' | C5' | 115.6° | 142.8° |
| C2' | C3' | C4' | H4' | 130.1° | 94.9° |
| H2' | C2' | C3' | O3' | 40.5° | 122.7° |
| H2' | C2' | C3' | C4' | 156.0° | 118.6° |
| H2' | C2' | C3' | H3' | 80.7° | 0.2° |
| H2'' | C2' | C3' | O3' | 150.0° | 0.0° |
| H2'' | C2' | C3' | C4' | 94.6° | 118.7° |
| H2'' | C2' | C3' | H3' | 28.8° | 122.6° |
| O3' | C3' | C4' | H3' | 121.2° | 122.6° |
| O3' | C3' | C4' | O4' | 106.2° | 142.5° |
| O3' | C3' | C4' | C5' | 129.5° | 98.6° |
| O3' | C3' | C4' | H4' | 15.2° | 23.8° |
| C4' | C3' | O3' | HO3' | 68.3° | 178.1° |
| C3' | C4' | O4' | C5' | 127.1° | 119.1° |
| C3' | C4' | O4' | H4' | 118.1° | 118.7° |
| C3' | C4' | C5' | H4' | 117.3° | 122.3° |
| C3' | C4' | C5' | O5' | 48.1° | 176.9° |
| C3' | C4' | C5' | H5' | 173.4° | 63.1° |
| C3' | C4' | C5' | H5'' | 77.2° | 56.9° |
| H3' | C3' | O3' | HO3' | 55.7° | 59.3° |
| H3' | C3' | C4' | O4' | 132.6° | 94.9° |
| H3' | C3' | C4' | C5' | 8.3° | 24.0° |
| H3' | C3' | C4' | H4' | 106.1° | 146.4° |
| O4' | C4' | C5' | H4' | 120.9° | 122.3° |
| O4' | C4' | C5' | O5' | 73.6° | 61.5° |
| O4' | C4' | C5' | H5' | 51.7° | 178.5° |
| O4' | C4' | C5' | H5'' | 161.1° | 58.5° |
| C4' | C5' | O5' | H5' | 125.3° | 120.0° |
| C4' | C5' | O5' | H5'' | 125.3° | 120.0° |
| C4' | C5' | H5' | H5'' | 117.6° | 120.0° |
| C4' | C5' | O5' | P | 172.6° | 180.0° |
| H4' | C4' | C5' | O5' | 165.5° | 60.8° |
| H4' | C4' | C5' | H5' | 69.2° | 59.2° |
| H4' | C4' | C5' | H5'' | 40.2° | 179.2° |
| O5' | C5' | H5' | H5'' | 117.7° | 119.9° |
| C5' | O5' | P | OP1 | 162.0° | 60.0° |
| C5' | O5' | P | OP2 | 30.3° | 179.9° |
| C5' | O5' | P | OP3 | 83.5° | 60.0° |
| H5' | C5' | O5' | P | 47.4° | 59.9° |
| H5'' | C5' | O5' | P | 62.1° | 60.0° |
| O5' | P | OP1 | OP2 | 125.5° | 120.0° |
| O5' | P | OP1 | OP3 | 111.8° | 120.0° |
| O5' | P | OP2 | OP3 | 111.5° | 120.1° |
| O5' | P | OP2 | HOP2 | 180.0° | 180.0° |
| O5' | P | OP3 | HOP3 | 180.0° | 60.0° |
| OP1 | P | OP2 | OP3 | 123.0° | 120.0° |
| OP1 | P | OP2 | HOP2 | 54.5° | 60.1° |
| OP1 | P | OP3 | HOP3 | 65.0° | 180.0° |
| OP2 | P | OP3 | HOP3 | 65.0° | 60.1° |
| OP3 | P | OP2 | HOP2 | 68.5° | 59.9° |
