HYJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | sing | 1.35Å | 1.37Å | |
| C2 | N1 | sing | 1.36Å | 1.30Å | |
| C2 | N3 | doub | 1.31Å | 1.36Å | |
| N1 | C6 | sing | 1.35Å | 1.33Å | |
| N3 | C4 | sing | 1.34Å | 1.33Å | |
| C6 | O6 | doub | 1.22Å | 1.35Å | |
| C6 | C5 | sing | 1.41Å | 1.40Å | |
| C4 | C5 | doub | 1.40Å | 1.37Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.49Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| O5' | P | sing | 1.61Å | 1.58Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| P | OP2 | doub | 1.48Å | 1.44Å | |
| P | OP1 | sing | 1.61Å | 1.50Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O3' | H2 | sing | 0.97Å | 0.95Å | |
| OP1 | H3 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| OP3 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N1 | 118.6° | 119.0° |
| O2 | C2 | N3 | 118.1° | 119.0° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| N1 | C2 | N3 | 123.3° | 122.0° |
| C2 | N1 | C6 | 120.7° | 120.3° |
| C2 | N1 | H1 | 119.6° | 119.8° |
| C2 | N3 | C4 | 116.8° | 121.1° |
| N1 | C6 | O6 | 119.6° | 120.8° |
| N1 | C6 | C5 | 119.0° | 118.3° |
| C6 | N1 | H1 | 119.7° | 119.9° |
| N3 | C4 | C5 | 122.7° | 119.7° |
| N3 | C4 | N9 | 129.8° | 134.2° |
| O6 | C6 | C5 | 121.2° | 120.8° |
| C6 | C5 | C4 | 117.2° | 118.5° |
| C6 | C5 | N7 | 135.7° | 134.2° |
| C5 | C4 | N9 | 107.5° | 106.1° |
| C4 | C5 | N7 | 107.1° | 107.3° |
| C4 | N9 | C1' | 123.3° | 126.2° |
| C4 | N9 | C8 | 108.2° | 107.5° |
| C5 | N7 | C8 | 107.7° | 109.3° |
| N9 | C1' | O4' | 107.0° | 110.4° |
| N9 | C1' | C2' | 110.4° | 110.4° |
| C1' | N9 | C8 | 128.5° | 126.3° |
| N9 | C1' | H1' | 110.7° | 110.4° |
| O4' | C1' | C2' | 107.0° | 104.8° |
| C1' | O4' | C4' | 109.4° | 105.3° |
| O4' | C1' | H1' | 111.6° | 110.3° |
| C1' | C2' | O2' | 109.3° | 110.5° |
| C1' | C2' | C3' | 100.1° | 104.0° |
| C2' | C1' | H1' | 110.0° | 110.5° |
| C1' | C2' | H2' | 111.7° | 110.5° |
| N9 | C8 | N7 | 109.6° | 109.8° |
| N9 | C8 | H8 | 125.2° | 125.1° |
| O4' | C4' | C5' | 110.1° | 110.4° |
| O4' | C4' | C3' | 103.0° | 104.8° |
| O4' | C4' | H4' | 109.9° | 110.5° |
| N7 | C8 | H8 | 125.2° | 125.1° |
| O2' | C2' | C3' | 109.7° | 110.5° |
| O2' | C2' | H2' | 113.4° | 110.6° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C3' | C4' | 101.2° | 104.1° |
| C2' | C3' | O3' | 114.5° | 110.5° |
| C3' | C2' | H2' | 111.8° | 110.5° |
| C2' | C3' | H3' | 109.0° | 110.5° |
| C5' | C4' | C3' | 115.4° | 110.4° |
| C4' | C5' | O5' | 109.6° | 109.5° |
| C5' | C4' | H4' | 109.3° | 110.3° |
| C4' | C5' | H5'2 | 109.5° | 109.5° |
| C4' | C5' | H5'1 | 109.4° | 109.4° |
| C4' | C3' | O3' | 112.4° | 110.5° |
| C4' | C3' | H3' | 108.9° | 110.6° |
| C3' | C4' | H4' | 108.9° | 110.3° |
| C5' | O5' | P | 120.0° | 123.0° |
| O5' | C5' | H5'2 | 109.4° | 109.5° |
| O5' | C5' | H5'1 | 109.4° | 109.5° |
| O5' | P | OP2 | 104.3° | 109.5° |
| O5' | P | OP1 | 110.3° | 109.5° |
| O5' | P | OP3 | 104.8° | 109.5° |
| O3' | C3' | H3' | 110.4° | 110.4° |
| C3' | O3' | H2 | 109.5° | 114.0° |
| OP2 | P | OP1 | 120.0° | 109.5° |
| OP2 | P | OP3 | 111.0° | 109.5° |
| P | OP1 | H3 | 109.5° | 114.0° |
| OP1 | P | OP3 | 105.6° | 109.5° |
| H5'2 | C5' | H5'1 | 109.5° | 109.4° |
| P | OP3 | H6 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N1 | N3 | 179.3° | 180.0° |
| O2 | C2 | N1 | C6 | 176.9° | 180.0° |
| O2 | C2 | N3 | C4 | 179.2° | 180.0° |
| O2 | C2 | N1 | H1 | 3.1° | 0.0° |
| C2 | N1 | C6 | H1 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.1° |
| C2 | N1 | C6 | O6 | 179.1° | 180.0° |
| C2 | N1 | C6 | C5 | 6.3° | 0.0° |
| N1 | C2 | O2 | HO2 | 179.3° | 180.0° |
| N3 | C2 | N1 | C6 | 3.8° | 0.0° |
| C2 | N3 | C4 | C5 | 1.4° | 0.0° |
| C2 | N3 | C4 | N9 | 178.3° | 180.0° |
| N3 | C2 | O2 | HO2 | 0.0° | 0.0° |
| N3 | C2 | N1 | H1 | 176.2° | 180.0° |
| N1 | C6 | O6 | C5 | 174.5° | 180.0° |
| N1 | C6 | C5 | C4 | 5.0° | 0.0° |
| N1 | C6 | C5 | N7 | 176.7° | 180.0° |
| N3 | C4 | C5 | C6 | 1.2° | 0.0° |
| N3 | C4 | C5 | N9 | 179.7° | 179.9° |
| N3 | C4 | C5 | N7 | 179.9° | 179.9° |
| N3 | C4 | N9 | C1' | 0.0° | 0.3° |
| N3 | C4 | N9 | C8 | 180.0° | 180.0° |
| O6 | C6 | C5 | C4 | 179.5° | 180.0° |
| O6 | C6 | C5 | N7 | 2.2° | 0.1° |
| O6 | C6 | N1 | H1 | 0.9° | 0.0° |
| C6 | C5 | C4 | N7 | 178.8° | 180.0° |
| C6 | C5 | C4 | N9 | 179.1° | 180.0° |
| C6 | C5 | N7 | C8 | 178.7° | 180.0° |
| C5 | C6 | N1 | H1 | 173.7° | 180.0° |
| C5 | C4 | N9 | C1' | 179.7° | 179.7° |
| C5 | C4 | N9 | C8 | 0.3° | 0.1° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| C4 | N9 | C1' | C8 | 180.0° | 179.6° |
| C4 | N9 | C1' | O4' | 170.6° | 156.1° |
| C4 | N9 | C1' | C2' | 73.3° | 88.5° |
| C4 | N9 | C8 | N7 | 0.1° | 0.1° |
| C4 | N9 | C8 | H8 | 179.8° | 180.0° |
| C4 | N9 | C1' | H1' | 48.7° | 33.9° |
| C5 | N7 | C8 | N9 | 0.1° | 0.1° |
| C5 | N7 | C8 | H8 | 180.0° | 180.0° |
| N9 | C1' | O4' | C2' | 118.4° | 118.9° |
| N9 | C1' | O4' | H1' | 121.3° | 122.2° |
| N9 | C1' | C2' | H1' | 122.4° | 122.3° |
| N9 | C1' | O4' | C4' | 114.7° | 159.3° |
| C1' | N9 | C8 | N7 | 179.8° | 179.8° |
| N9 | C1' | C2' | O2' | 157.5° | 98.5° |
| N9 | C1' | C2' | C3' | 87.4° | 142.8° |
| C1' | N9 | C8 | H8 | 0.2° | 0.3° |
| N9 | C1' | C2' | H2' | 31.1° | 24.2° |
| O4' | C1' | C2' | H1' | 121.4° | 118.8° |
| O4' | C1' | N9 | C8 | 9.4° | 23.5° |
| O4' | C1' | C2' | O2' | 86.4° | 142.6° |
| O4' | C1' | C2' | C3' | 28.7° | 23.9° |
| C1' | O4' | C4' | C5' | 146.9° | 159.3° |
| C1' | O4' | C4' | C3' | 23.3° | 40.5° |
| O4' | C1' | C2' | H2' | 147.3° | 94.6° |
| C1' | O4' | C4' | H4' | 92.7° | 78.4° |
| C2' | C1' | N9 | C8 | 106.7° | 91.9° |
| C2' | C1' | O4' | C4' | 3.6° | 40.5° |
| C1' | C2' | O2' | C3' | 108.9° | 114.6° |
| C1' | C2' | O2' | H2' | 125.4° | 122.7° |
| C1' | C2' | C3' | H2' | 118.5° | 118.6° |
| C1' | C2' | C3' | C4' | 41.5° | 0.0° |
| C1' | C2' | C3' | O3' | 162.7° | 118.7° |
| C1' | C2' | C3' | H3' | 73.2° | 118.8° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| C8 | N9 | C1' | H1' | 131.3° | 145.7° |
| O4' | C4' | C3' | C2' | 40.6° | 24.0° |
| O4' | C4' | C5' | C3' | 116.1° | 115.4° |
| O4' | C4' | C5' | H4' | 120.8° | 122.4° |
| O4' | C4' | C3' | H4' | 116.6° | 119.0° |
| O4' | C4' | C5' | O5' | 59.5° | 69.6° |
| O4' | C4' | C3' | O3' | 163.2° | 142.6° |
| C4' | O4' | C1' | H1' | 124.0° | 78.4° |
| O4' | C4' | C3' | H3' | 74.1° | 94.8° |
| O4' | C4' | C5' | H5'2 | 60.5° | 170.4° |
| O4' | C4' | C5' | H5'1 | 179.5° | 50.4° |
| O2' | C2' | C3' | H2' | 126.6° | 122.8° |
| O2' | C2' | C3' | C4' | 73.3° | 118.6° |
| O2' | C2' | C3' | O3' | 47.8° | 0.0° |
| O2' | C2' | C1' | H1' | 35.0° | 23.8° |
| O2' | C2' | C3' | H3' | 172.0° | 122.5° |
| C2' | C3' | C4' | C5' | 160.7° | 142.8° |
| C2' | C3' | C4' | O3' | 122.6° | 118.6° |
| C2' | C3' | C4' | H3' | 114.7° | 118.7° |
| C2' | C3' | O3' | H3' | 123.4° | 122.6° |
| C3' | C2' | C1' | H1' | 150.1° | 94.9° |
| C2' | C3' | C4' | H4' | 76.0° | 95.0° |
| C3' | C2' | O2' | HO2' | 71.1° | 65.3° |
| C2' | C3' | O3' | H2 | 180.0° | 61.4° |
| C5' | C4' | C3' | H4' | 123.3° | 122.2° |
| C4' | C5' | O5' | H5'2 | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'1 | 120.0° | 120.0° |
| C4' | C5' | O5' | P | 178.3° | 179.9° |
| C5' | C4' | C3' | O3' | 76.7° | 98.5° |
| C5' | C4' | C3' | H3' | 45.9° | 24.1° |
| C4' | C5' | H5'2 | H5'1 | 120.0° | 120.0° |
| C3' | C4' | C5' | O5' | 56.6° | 175.0° |
| C4' | C3' | O3' | H3' | 121.8° | 122.8° |
| C4' | C3' | C2' | H2' | 160.0° | 118.6° |
| C3' | C4' | C5' | H5'2 | 176.6° | 55.0° |
| C3' | C4' | C5' | H5'1 | 63.4° | 65.0° |
| C4' | C3' | O3' | H2 | 65.2° | 176.1° |
| C5' | O5' | P | OP2 | 175.0° | 55.0° |
| C5' | O5' | P | OP1 | 44.9° | 175.0° |
| O5' | C5' | C4' | H4' | 179.7° | 52.8° |
| O5' | C5' | H5'2 | H5'1 | 119.9° | 120.0° |
| C5' | O5' | P | OP3 | 68.3° | 65.0° |
| O5' | P | OP2 | OP1 | 124.0° | 120.0° |
| O5' | P | OP2 | OP3 | 112.3° | 120.0° |
| O5' | P | OP1 | OP3 | 112.7° | 120.1° |
| P | O5' | C5' | H5'2 | 58.2° | 60.0° |
| P | O5' | C5' | H5'1 | 61.7° | 60.0° |
| O5' | P | OP1 | H3 | 121.1° | 180.0° |
| O5' | P | OP3 | H6 | 112.0° | 60.0° |
| O3' | C3' | C2' | H2' | 78.8° | 122.7° |
| O3' | C3' | C4' | H4' | 46.6° | 23.7° |
| OP2 | P | OP1 | OP3 | 126.2° | 120.0° |
| OP2 | P | OP1 | H3 | 0.0° | 60.0° |
| OP2 | P | OP3 | H6 | 0.0° | 180.0° |
| OP1 | P | OP3 | H6 | 131.5° | 60.0° |
| H1' | C1' | C2' | H2' | 91.3° | 146.5° |
| H2' | C2' | C3' | H3' | 45.3° | 0.2° |
| H2' | C2' | O2' | HO2' | 54.6° | 57.4° |
| H3' | C3' | C4' | H4' | 169.2° | 146.3° |
| H3' | C3' | O3' | H2 | 56.6° | 61.1° |
| H4' | C4' | C5' | H5'2 | 60.3° | 67.2° |
| H4' | C4' | C5' | H5'1 | 59.7° | 172.8° |
| H3 | OP1 | P | OP3 | 126.2° | 60.0° |
