P5P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.37Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.31Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N9 | C1' | sing | 1.46Å | 1.33Å | |
| C1' | C2' | sing | 1.54Å | 1.55Å | |
| C1' | O4' | sing | 1.44Å | 1.45Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | O2' | sing | 1.43Å | 1.45Å | |
| C2' | C3' | sing | 1.54Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C4' | sing | 1.54Å | 1.55Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.45Å | 1.47Å | |
| C4' | C5' | sing | 1.53Å | 1.56Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| C5' | O5' | sing | 1.43Å | 1.47Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| O5' | P | sing | 1.61Å | 1.66Å | |
| P | OP1 | doub | 1.48Å | 1.50Å | |
| P | OP2 | sing | 1.61Å | 1.50Å | |
| P | OP3 | sing | 1.61Å | 1.63Å | |
| 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 | 119.4° | 121.4° |
| N1 | C2 | N3 | 128.8° | 122.4° |
| N1 | C2 | H2 | 115.6° | 118.8° |
| N1 | C6 | C5 | 118.0° | 118.6° |
| N1 | C6 | H6 | 119.3° | 120.7° |
| N3 | C2 | H2 | 115.6° | 118.8° |
| C2 | N3 | C4 | 109.2° | 120.5° |
| N3 | C4 | C5 | 128.9° | 119.0° |
| N3 | C4 | N9 | 128.1° | 135.1° |
| C5 | C4 | N9 | 103.0° | 105.9° |
| C4 | C5 | C6 | 115.7° | 118.2° |
| C4 | C5 | N7 | 111.2° | 107.0° |
| C4 | N9 | C8 | 111.5° | 107.5° |
| C4 | N9 | C1' | 124.6° | 126.3° |
| C6 | C5 | N7 | 133.1° | 134.8° |
| C5 | C6 | H6 | 122.7° | 120.7° |
| C5 | N7 | C8 | 101.9° | 109.5° |
| N7 | C8 | N9 | 112.4° | 110.1° |
| N7 | C8 | H8 | 123.5° | 125.0° |
| N9 | C8 | H8 | 124.1° | 124.9° |
| C8 | N9 | C1' | 123.7° | 126.2° |
| N9 | C1' | C2' | 119.2° | 110.4° |
| N9 | C1' | O4' | 120.8° | 110.5° |
| N9 | C1' | H1' | 89.9° | 110.2° |
| C2' | C1' | O4' | 103.2° | 104.8° |
| C2' | C1' | H1' | 112.6° | 110.4° |
| C1' | C2' | O2' | 114.5° | 110.7° |
| C1' | C2' | C3' | 98.6° | 104.1° |
| C1' | C2' | H2' | 113.7° | 110.5° |
| O4' | C1' | H1' | 110.7° | 110.4° |
| C1' | O4' | C4' | 103.9° | 105.4° |
| O2' | C2' | C3' | 110.4° | 110.5° |
| O2' | C2' | H2' | 102.6° | 110.5° |
| C2' | O2' | HO2' | 114.5° | 106.8° |
| C3' | C2' | H2' | 117.6° | 110.5° |
| C2' | C3' | O3' | 109.6° | 110.5° |
| C2' | C3' | C4' | 103.6° | 104.2° |
| C2' | C3' | H3' | 114.5° | 110.5° |
| O3' | C3' | C4' | 113.3° | 110.5° |
| O3' | C3' | H3' | 105.1° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 106.7° |
| C4' | C3' | H3' | 111.0° | 110.5° |
| C3' | C4' | O4' | 106.9° | 104.7° |
| C3' | C4' | C5' | 110.1° | 110.7° |
| C3' | C4' | H4' | 113.3° | 110.2° |
| O4' | C4' | C5' | 115.8° | 110.4° |
| O4' | C4' | H4' | 107.1° | 110.4° |
| C5' | C4' | H4' | 103.8° | 110.3° |
| C4' | C5' | O5' | 115.5° | 109.5° |
| C4' | C5' | H5'1 | 110.0° | 109.4° |
| C4' | C5' | H5'2 | 110.0° | 109.4° |
| O5' | C5' | H5'1 | 110.1° | 109.5° |
| O5' | C5' | H5'2 | 110.1° | 109.5° |
| C5' | O5' | P | 123.0° | 106.8° |
| H5'1 | C5' | H5'2 | 100.1° | 109.5° |
| O5' | P | OP1 | 113.8° | 109.5° |
| O5' | P | OP2 | 106.7° | 109.5° |
| O5' | P | OP3 | 102.0° | 109.5° |
| OP1 | P | OP2 | 115.5° | 109.4° |
| OP1 | P | OP3 | 109.1° | 109.5° |
| OP2 | P | OP3 | 108.8° | 109.5° |
| P | OP2 | HOP2 | 106.7° | 106.9° |
| P | OP3 | HOP3 | 102.0° | 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 | 0.8° | 0.3° |
| C2 | N1 | C6 | C5 | 0.5° | 0.1° |
| C2 | N1 | C6 | H6 | 179.5° | 180.0° |
| C6 | N1 | C2 | N3 | 0.3° | 0.1° |
| C6 | N1 | C2 | H2 | 179.7° | 179.9° |
| N1 | C6 | C5 | C4 | 1.2° | 0.2° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | N7 | 177.8° | 179.9° |
| C2 | N3 | C4 | C5 | 1.7° | 0.6° |
| C2 | N3 | C4 | N9 | 179.8° | 179.6° |
| H2 | C2 | N3 | C4 | 179.2° | 179.7° |
| N3 | C4 | C5 | N9 | 178.5° | 179.3° |
| N3 | C4 | C5 | C6 | 1.9° | 0.5° |
| N3 | C4 | C5 | N7 | 179.3° | 179.7° |
| N3 | C4 | N9 | C8 | 179.4° | 179.5° |
| N3 | C4 | N9 | C1' | 5.4° | 0.8° |
| C4 | C5 | C6 | N7 | 176.6° | 179.7° |
| C4 | C5 | C6 | H6 | 178.8° | 179.7° |
| C4 | C5 | N7 | C8 | 1.5° | 0.3° |
| C5 | C4 | N9 | C8 | 2.1° | 0.4° |
| C5 | C4 | N9 | C1' | 173.2° | 179.9° |
| N9 | C4 | C5 | C6 | 179.6° | 179.8° |
| N9 | C4 | C5 | N7 | 2.2° | 0.4° |
| C4 | N9 | C8 | N7 | 1.3° | 0.3° |
| C4 | N9 | C8 | C1' | 175.3° | 179.7° |
| C4 | N9 | C8 | H8 | 178.7° | 179.8° |
| C4 | N9 | C1' | C2' | 155.6° | 89.6° |
| C4 | N9 | C1' | O4' | 25.9° | 154.9° |
| C4 | N9 | C1' | H1' | 88.3° | 32.6° |
| C6 | C5 | N7 | C8 | 178.2° | 180.0° |
| N7 | C5 | C6 | H6 | 2.2° | 0.0° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| C5 | N7 | C8 | H8 | 179.9° | 179.9° |
| N7 | C8 | N9 | H8 | 179.9° | 179.9° |
| N7 | C8 | N9 | C1' | 174.0° | 179.9° |
| C8 | N9 | C1' | C2' | 19.1° | 90.0° |
| C8 | N9 | C1' | O4' | 148.8° | 25.5° |
| C8 | N9 | C1' | H1' | 97.0° | 147.8° |
| H8 | C8 | N9 | C1' | 6.0° | 0.2° |
| N9 | C1' | C2' | O4' | 137.2° | 119.0° |
| N9 | C1' | C2' | H1' | 103.4° | 122.1° |
| N9 | C1' | O4' | H1' | 102.9° | 122.2° |
| N9 | C1' | C2' | O2' | 154.1° | 98.3° |
| N9 | C1' | C2' | C3' | 88.7° | 143.0° |
| N9 | C1' | C2' | H2' | 36.6° | 24.4° |
| N9 | C1' | O4' | C4' | 92.5° | 159.4° |
| C2' | C1' | O4' | H1' | 120.7° | 118.9° |
| C1' | C2' | O2' | C3' | 110.2° | 114.7° |
| C1' | C2' | O2' | H2' | 123.7° | 122.6° |
| C1' | C2' | C3' | H2' | 122.5° | 118.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 176.2° |
| C1' | C2' | C3' | O3' | 154.7° | 118.7° |
| C1' | C2' | C3' | C4' | 33.5° | 0.1° |
| C1' | C2' | C3' | H3' | 87.5° | 118.7° |
| C2' | C1' | O4' | C4' | 43.8° | 40.4° |
| O4' | C1' | C2' | O2' | 68.7° | 142.7° |
| O4' | C1' | C2' | C3' | 48.5° | 24.0° |
| O4' | C1' | C2' | H2' | 173.8° | 94.7° |
| C1' | O4' | C4' | C3' | 21.5° | 40.3° |
| C1' | O4' | C4' | C5' | 101.6° | 159.5° |
| C1' | O4' | C4' | H4' | 143.2° | 78.3° |
| H1' | C1' | C2' | O2' | 50.6° | 23.8° |
| H1' | C1' | C2' | C3' | 167.9° | 94.9° |
| H1' | C1' | C2' | H2' | 66.9° | 146.5° |
| H1' | C1' | O4' | C4' | 164.6° | 78.4° |
| O2' | C2' | C3' | H2' | 117.2° | 122.6° |
| O2' | C2' | C3' | O3' | 34.4° | 0.1° |
| O2' | C2' | C3' | C4' | 86.8° | 118.9° |
| O2' | C2' | C3' | H3' | 152.2° | 122.5° |
| C3' | C2' | O2' | HO2' | 69.8° | 61.5° |
| C2' | C3' | O3' | C4' | 115.1° | 114.8° |
| C2' | C3' | O3' | H3' | 123.6° | 122.6° |
| C2' | C3' | C4' | H3' | 123.4° | 118.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 63.3° |
| C2' | C3' | C4' | O4' | 9.2° | 23.8° |
| C2' | C3' | C4' | C5' | 135.8° | 142.7° |
| C2' | C3' | C4' | H4' | 108.6° | 94.9° |
| H2' | C2' | O2' | HO2' | 56.3° | 61.2° |
| H2' | C2' | C3' | O3' | 82.8° | 122.7° |
| H2' | C2' | C3' | C4' | 156.0° | 118.5° |
| H2' | C2' | C3' | H3' | 35.0° | 0.1° |
| O3' | C3' | C4' | H3' | 118.0° | 122.6° |
| O3' | C3' | C4' | O4' | 127.8° | 142.6° |
| O3' | C3' | C4' | C5' | 105.6° | 98.5° |
| O3' | C3' | C4' | H4' | 10.1° | 23.8° |
| C4' | C3' | O3' | HO3' | 64.9° | 178.2° |
| C3' | C4' | O4' | C5' | 123.1° | 119.2° |
| C3' | C4' | O4' | H4' | 121.7° | 118.6° |
| C3' | C4' | C5' | H4' | 121.5° | 122.3° |
| C3' | C4' | C5' | O5' | 72.5° | 176.9° |
| C3' | C4' | C5' | H5'1 | 52.8° | 63.1° |
| C3' | C4' | C5' | H5'2 | 162.1° | 56.9° |
| H3' | C3' | O3' | HO3' | 56.4° | 59.3° |
| H3' | C3' | C4' | O4' | 114.2° | 94.9° |
| H3' | C3' | C4' | C5' | 12.4° | 24.0° |
| H3' | C3' | C4' | H4' | 128.1° | 146.4° |
| O4' | C4' | C5' | H4' | 117.1° | 122.3° |
| O4' | C4' | C5' | O5' | 166.1° | 61.5° |
| O4' | C4' | C5' | H5'1 | 68.6° | 178.5° |
| O4' | C4' | C5' | H5'2 | 40.7° | 58.5° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
| C4' | C5' | O5' | H5'2 | 125.3° | 120.0° |
| C4' | C5' | H5'1 | H5'2 | 115.8° | 119.9° |
| C4' | C5' | O5' | P | 84.2° | 180.0° |
| H4' | C4' | C5' | O5' | 49.0° | 60.8° |
| H4' | C4' | C5' | H5'1 | 174.3° | 59.2° |
| H4' | C4' | C5' | H5'2 | 76.3° | 179.2° |
| O5' | C5' | H5'1 | H5'2 | 115.8° | 120.1° |
| C5' | O5' | P | OP1 | 156.6° | 60.0° |
| C5' | O5' | P | OP2 | 28.0° | 180.0° |
| C5' | O5' | P | OP3 | 86.0° | 60.0° |
| H5'1 | C5' | O5' | P | 150.5° | 60.0° |
| H5'2 | C5' | O5' | P | 41.1° | 60.0° |
| O5' | P | OP1 | OP2 | 124.0° | 120.0° |
| O5' | P | OP1 | OP3 | 113.1° | 120.1° |
| O5' | P | OP2 | OP3 | 109.4° | 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 | 52.4° | 60.0° |
| OP1 | P | OP3 | HOP3 | 59.4° | 180.0° |
| OP2 | P | OP3 | HOP3 | 67.5° | 60.0° |
| OP3 | P | OP2 | HOP2 | 70.6° | 59.9° |
