Q61
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1V | V | doub | 0.00Å | 1.63Å | |
| OP1 | P | doub | 0.00Å | 1.56Å | |
| OP2 | P | sing | 0.00Å | 1.57Å | |
| P | O5' | sing | 0.00Å | 1.60Å | |
| O3' | C3' | sing | 0.00Å | 1.42Å | |
| O3' | V | sing | 0.00Å | 2.00Å | |
| C3' | C2' | sing | 0.00Å | 1.53Å | |
| C3' | C4' | sing | 0.00Å | 1.52Å | |
| V | O2' | sing | 0.00Å | 2.00Å | |
| V | O2V | sing | 0.00Å | 1.61Å | |
| O5' | C5' | sing | 0.00Å | 1.43Å | |
| C2' | O2' | sing | 0.00Å | 1.41Å | |
| C2' | C1' | sing | 0.00Å | 1.54Å | |
| C5' | C4' | sing | 0.00Å | 1.51Å | |
| C4' | O4' | sing | 0.00Å | 1.44Å | |
| C8 | N7 | doub | 0.00Å | 1.38Å | Aromatic |
| C8 | N9 | sing | 0.00Å | 1.45Å | Aromatic |
| N7 | C5 | sing | 0.00Å | 1.45Å | Aromatic |
| C1' | N9 | sing | 0.00Å | 1.46Å | |
| C1' | O4' | sing | 0.00Å | 1.41Å | |
| N9 | C4 | sing | 0.00Å | 1.46Å | Aromatic |
| C5 | C4 | doub | 0.00Å | 1.44Å | Aromatic |
| C5 | C6 | sing | 0.00Å | 1.48Å | |
| C4 | N3 | sing | 0.00Å | 1.43Å | |
| O6 | C6 | doub | 0.00Å | 1.30Å | |
| C6 | N1 | sing | 0.00Å | 1.47Å | |
| N3 | C2 | doub | 0.00Å | 1.38Å | |
| N1 | C2 | sing | 0.00Å | 1.44Å | |
| C2 | N2 | sing | 0.00Å | 1.39Å | |
| C1' | H1 | sing | 0.00Å | 1.10Å | |
| C2' | H2 | sing | 0.00Å | 1.10Å | |
| C3' | H3 | sing | 0.00Å | 1.10Å | |
| C4' | H4 | sing | 0.00Å | 1.10Å | |
| C5' | H5 | sing | 0.00Å | 1.10Å | |
| C5' | H6 | sing | 0.00Å | 1.10Å | |
| C8 | H7 | sing | 0.00Å | 1.08Å | |
| N1 | H8 | sing | 0.00Å | 1.00Å | |
| N2 | H9 | sing | 0.00Å | 1.00Å | |
| N2 | H10 | sing | 0.00Å | 1.00Å | |
| OP2 | H14 | sing | 0.00Å | 0.95Å | |
| P | OP3 | sing | 0.00Å | 1.61Å | |
| OP3 | H11 | sing | 0.00Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1V | V | O3' | 120.9° | 90.0° |
| O1V | V | O2' | 102.9° | 90.0° |
| O1V | V | O2V | 102.1° | 90.0° |
| OP1 | P | OP2 | 119.5° | 90.0° |
| OP1 | P | O5' | 108.8° | 90.0° |
| OP1 | P | OP3 | 105.5° | 90.0° |
| OP2 | P | O5' | 108.9° | 90.0° |
| P | OP2 | H14 | 109.5° | 90.0° |
| OP2 | P | OP3 | 108.3° | 90.0° |
| P | O5' | C5' | 122.2° | 90.0° |
| O5' | P | OP3 | 104.7° | 90.0° |
| C3' | O3' | V | 117.8° | 90.0° |
| O3' | C3' | C2' | 109.0° | 90.0° |
| O3' | C3' | C4' | 111.1° | 90.0° |
| O3' | C3' | H3 | 111.2° | 90.0° |
| O3' | V | O2' | 81.6° | 90.0° |
| O3' | V | O2V | 136.2° | 90.0° |
| C2' | C3' | C4' | 105.9° | 90.0° |
| C3' | C2' | O2' | 115.6° | 90.0° |
| C3' | C2' | C1' | 105.2° | 90.0° |
| C3' | C2' | H2 | 107.4° | 90.0° |
| C2' | C3' | H3 | 109.7° | 90.0° |
| C3' | C4' | C5' | 115.2° | 90.0° |
| C3' | C4' | O4' | 107.4° | 90.0° |
| C4' | C3' | H3 | 109.7° | 90.0° |
| C3' | C4' | H4 | 107.8° | 90.0° |
| O2' | V | O2V | 97.4° | 90.0° |
| V | O2' | C2' | 114.6° | 90.0° |
| O5' | C5' | C4' | 111.8° | 90.0° |
| O5' | C5' | H5 | 108.9° | 90.0° |
| O5' | C5' | H6 | 108.9° | 90.0° |
| O2' | C2' | C1' | 112.1° | 90.0° |
| O2' | C2' | H2 | 108.8° | 90.0° |
| C2' | C1' | N9 | 113.8° | 90.0° |
| C2' | C1' | O4' | 108.7° | 90.0° |
| C2' | C1' | H1 | 107.0° | 90.0° |
| C1' | C2' | H2 | 107.3° | 90.0° |
| C5' | C4' | O4' | 109.4° | 90.0° |
| C5' | C4' | H4 | 108.0° | 90.0° |
| C4' | C5' | H5 | 108.9° | 90.0° |
| C4' | C5' | H6 | 108.9° | 90.0° |
| C4' | O4' | C1' | 111.1° | 90.0° |
| O4' | C4' | H4 | 108.9° | 90.0° |
| N7 | C8 | N9 | 114.3° | 90.0° |
| C8 | N7 | C5 | 103.9° | 90.0° |
| N7 | C8 | H7 | 122.9° | 90.0° |
| C8 | N9 | C1' | 136.7° | 90.0° |
| C8 | N9 | C4 | 104.6° | 90.0° |
| N9 | C8 | H7 | 122.8° | 90.0° |
| N7 | C5 | C4 | 110.7° | 90.0° |
| N7 | C5 | C6 | 130.3° | 90.0° |
| N9 | C1' | O4' | 110.8° | 90.0° |
| C1' | N9 | C4 | 118.5° | 90.0° |
| N9 | C1' | H1 | 107.8° | 90.0° |
| O4' | C1' | H1 | 108.6° | 90.0° |
| N9 | C4 | C5 | 106.4° | 90.0° |
| N9 | C4 | N3 | 125.6° | 90.0° |
| C4 | C5 | C6 | 119.0° | 90.0° |
| C5 | C4 | N3 | 127.9° | 90.0° |
| C5 | C6 | O6 | 126.4° | 90.0° |
| C5 | C6 | N1 | 112.0° | 90.0° |
| C4 | N3 | C2 | 112.5° | 90.0° |
| O6 | C6 | N1 | 121.6° | 90.0° |
| C6 | N1 | C2 | 124.4° | 90.0° |
| C6 | N1 | H8 | 117.8° | 90.0° |
| N3 | C2 | N1 | 124.3° | 90.0° |
| N3 | C2 | N2 | 116.8° | 90.0° |
| N1 | C2 | N2 | 119.0° | 90.0° |
| C2 | N1 | H8 | 117.8° | 90.0° |
| C2 | N2 | H9 | 120.0° | 90.0° |
| C2 | N2 | H10 | 120.0° | 90.0° |
| H5 | C5' | H6 | 109.5° | 90.0° |
| H9 | N2 | H10 | 120.0° | 90.0° |
| P | OP3 | H11 | 109.5° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1V | V | O3' | C3' | 91.0° | 90.0° |
| O1V | V | O3' | O2' | 100.1° | 90.0° |
| O1V | V | O3' | O2V | 167.9° | 90.0° |
| O1V | V | O2' | O2V | 104.3° | 90.0° |
| O1V | V | O2' | C2' | 117.9° | 90.0° |
| OP1 | P | OP2 | O5' | 125.8° | 90.0° |
| OP1 | P | OP2 | OP3 | 120.8° | 90.0° |
| OP1 | P | O5' | OP3 | 112.5° | 90.0° |
| OP1 | P | O5' | C5' | 40.4° | 90.0° |
| OP1 | P | OP2 | H14 | 0.0° | 90.0° |
| OP1 | P | OP3 | H11 | 0.0° | 90.0° |
| OP2 | P | O5' | OP3 | 115.7° | 90.0° |
| OP2 | P | O5' | C5' | 172.2° | 90.0° |
| OP2 | P | OP3 | H11 | 129.1° | 90.0° |
| P | O5' | C5' | C4' | 179.1° | 90.0° |
| P | O5' | C5' | H5 | 58.7° | 90.0° |
| P | O5' | C5' | H6 | 60.6° | 90.0° |
| O5' | P | OP2 | H14 | 125.8° | 90.0° |
| O5' | P | OP3 | H11 | 114.7° | 90.0° |
| O3' | C3' | C2' | C4' | 119.6° | 90.0° |
| O3' | C3' | C2' | H3 | 122.0° | 90.0° |
| O3' | C3' | C4' | H3 | 123.4° | 90.0° |
| C3' | O3' | V | O2' | 9.1° | 90.0° |
| C3' | O3' | V | O2V | 101.1° | 90.0° |
| O3' | C3' | C2' | O2' | 11.3° | 90.0° |
| O3' | C3' | C2' | C1' | 113.0° | 90.0° |
| O3' | C3' | C4' | C5' | 131.6° | 90.0° |
| O3' | C3' | C4' | O4' | 106.3° | 90.0° |
| O3' | C3' | C2' | H2 | 132.9° | 90.0° |
| O3' | C3' | C4' | H4 | 10.9° | 90.0° |
| V | O3' | C3' | C2' | 13.3° | 90.0° |
| V | O3' | C3' | C4' | 129.6° | 90.0° |
| O3' | V | O2' | O2V | 135.8° | 90.0° |
| O3' | V | O2' | C2' | 2.1° | 90.0° |
| V | O3' | C3' | H3 | 107.8° | 90.0° |
| C2' | C3' | C4' | H3 | 118.4° | 90.0° |
| C3' | C2' | O2' | V | 4.6° | 90.0° |
| C3' | C2' | O2' | C1' | 120.6° | 90.0° |
| C3' | C2' | O2' | H2 | 120.9° | 90.0° |
| C3' | C2' | C1' | H2 | 114.2° | 90.0° |
| C2' | C3' | C4' | C5' | 110.2° | 90.0° |
| C2' | C3' | C4' | O4' | 11.9° | 90.0° |
| C3' | C2' | C1' | N9 | 123.0° | 90.0° |
| C3' | C2' | C1' | O4' | 0.9° | 90.0° |
| C3' | C2' | C1' | H1 | 118.0° | 90.0° |
| C2' | C3' | C4' | H4 | 129.1° | 90.0° |
| C3' | C4' | C5' | O5' | 66.2° | 90.0° |
| C4' | C3' | C2' | O2' | 130.9° | 90.0° |
| C4' | C3' | C2' | C1' | 6.7° | 90.0° |
| C3' | C4' | C5' | O4' | 121.1° | 90.0° |
| C3' | C4' | C5' | H4 | 120.6° | 90.0° |
| C3' | C4' | O4' | H4 | 116.5° | 90.0° |
| C3' | C4' | O4' | C1' | 13.1° | 90.0° |
| C4' | C3' | C2' | H2 | 107.4° | 90.0° |
| C3' | C4' | C5' | H5 | 54.2° | 90.0° |
| C3' | C4' | C5' | H6 | 173.5° | 90.0° |
| V | O2' | C2' | C1' | 115.9° | 90.0° |
| V | O2' | C2' | H2 | 125.6° | 90.0° |
| O2V | V | O2' | C2' | 137.9° | 90.0° |
| O5' | C5' | C4' | H5 | 120.3° | 90.0° |
| O5' | C5' | C4' | H6 | 120.4° | 90.0° |
| O5' | C5' | C4' | O4' | 54.9° | 90.0° |
| O5' | C5' | C4' | H4 | 173.2° | 90.0° |
| O5' | C5' | H5 | H6 | 118.9° | 90.0° |
| C5' | O5' | P | OP3 | 72.1° | 90.0° |
| O2' | C2' | C1' | H2 | 119.4° | 90.0° |
| O2' | C2' | C1' | N9 | 110.6° | 90.0° |
| O2' | C2' | C1' | O4' | 125.5° | 90.0° |
| O2' | C2' | C1' | H1 | 8.4° | 90.0° |
| O2' | C2' | C3' | H3 | 110.7° | 90.0° |
| C2' | C1' | O4' | C4' | 8.8° | 90.0° |
| C2' | C1' | N9 | C8 | 64.6° | 90.0° |
| C2' | C1' | N9 | O4' | 122.8° | 90.0° |
| C2' | C1' | N9 | H1 | 118.5° | 90.0° |
| C2' | C1' | O4' | H1 | 116.0° | 90.0° |
| C2' | C1' | N9 | C4 | 110.3° | 90.0° |
| C1' | C2' | C3' | H3 | 125.1° | 90.0° |
| C5' | C4' | O4' | H4 | 117.8° | 90.0° |
| C5' | C4' | O4' | C1' | 112.5° | 90.0° |
| C5' | C4' | C3' | H3 | 8.2° | 90.0° |
| C4' | C5' | H5 | H6 | 119.0° | 90.0° |
| C4' | O4' | C1' | N9 | 116.9° | 90.0° |
| C4' | O4' | C1' | H1 | 124.9° | 90.0° |
| O4' | C4' | C3' | H3 | 130.3° | 90.0° |
| O4' | C4' | C5' | H5 | 175.2° | 90.0° |
| O4' | C4' | C5' | H6 | 65.4° | 90.0° |
| N7 | C8 | N9 | H7 | 180.0° | 90.0° |
| N7 | C8 | N9 | C1' | 176.9° | 90.0° |
| N7 | C8 | N9 | C4 | 1.6° | 90.0° |
| C8 | N7 | C5 | C4 | 0.6° | 90.0° |
| C8 | N7 | C5 | C6 | 179.9° | 90.0° |
| N9 | C8 | N7 | C5 | 1.4° | 90.0° |
| C8 | N9 | C1' | C4 | 174.9° | 90.0° |
| C8 | N9 | C1' | O4' | 58.2° | 90.0° |
| C8 | N9 | C4 | C5 | 1.1° | 90.0° |
| C8 | N9 | C4 | N3 | 179.5° | 90.0° |
| C8 | N9 | C1' | H1 | 176.9° | 90.0° |
| N7 | C5 | C4 | N9 | 0.3° | 90.0° |
| N7 | C5 | C4 | C6 | 179.5° | 90.0° |
| N7 | C5 | C4 | N3 | 179.7° | 90.0° |
| N7 | C5 | C6 | O6 | 0.6° | 90.0° |
| N7 | C5 | C6 | N1 | 179.7° | 90.0° |
| C5 | N7 | C8 | H7 | 178.6° | 90.0° |
| N9 | C1' | O4' | H1 | 118.2° | 90.0° |
| C1' | N9 | C4 | C5 | 177.5° | 90.0° |
| C1' | N9 | C4 | N3 | 3.1° | 90.0° |
| N9 | C1' | C2' | H2 | 8.8° | 90.0° |
| C1' | N9 | C8 | H7 | 3.0° | 90.0° |
| O4' | C1' | N9 | C4 | 126.9° | 90.0° |
| O4' | C1' | C2' | H2 | 115.1° | 90.0° |
| C1' | O4' | C4' | H4 | 129.7° | 90.0° |
| N9 | C4 | C5 | N3 | 179.4° | 90.0° |
| N9 | C4 | C5 | C6 | 179.2° | 90.0° |
| N9 | C4 | N3 | C2 | 179.2° | 90.0° |
| C4 | N9 | C1' | H1 | 8.2° | 90.0° |
| C4 | N9 | C8 | H7 | 178.4° | 90.0° |
| C4 | C5 | C6 | O6 | 180.0° | 90.0° |
| C4 | C5 | C6 | N1 | 0.2° | 90.0° |
| C5 | C4 | N3 | C2 | 0.0° | 90.0° |
| C6 | C5 | C4 | N3 | 0.2° | 90.0° |
| C5 | C6 | O6 | N1 | 179.7° | 90.0° |
| C5 | C6 | N1 | C2 | 0.2° | 90.0° |
| C5 | C6 | N1 | H8 | 179.8° | 90.0° |
| C4 | N3 | C2 | N1 | 0.0° | 90.0° |
| C4 | N3 | C2 | N2 | 179.1° | 90.0° |
| O6 | C6 | N1 | C2 | 180.0° | 90.0° |
| O6 | C6 | N1 | H8 | 0.0° | 90.0° |
| C6 | N1 | C2 | N3 | 0.1° | 90.0° |
| C6 | N1 | C2 | H8 | 180.0° | 90.0° |
| C6 | N1 | C2 | N2 | 179.2° | 90.0° |
| N3 | C2 | N1 | N2 | 179.1° | 90.0° |
| N3 | C2 | N1 | H8 | 179.9° | 90.0° |
| N3 | C2 | N2 | H9 | 0.0° | 90.0° |
| N3 | C2 | N2 | H10 | 180.0° | 90.0° |
| N1 | C2 | N2 | H9 | 179.2° | 90.0° |
| N1 | C2 | N2 | H10 | 0.9° | 90.0° |
| N2 | C2 | N1 | H8 | 0.8° | 90.0° |
| C2 | N2 | H9 | H10 | 179.9° | 90.0° |
| H1 | C1' | C2' | H2 | 127.8° | 90.0° |
| H2 | C2' | C3' | H3 | 11.0° | 90.0° |
| H3 | C3' | C4' | H4 | 112.5° | 90.0° |
| H4 | C4' | C5' | H5 | 66.4° | 90.0° |
| H4 | C4' | C5' | H6 | 52.9° | 90.0° |
| H14 | OP2 | P | OP3 | 120.8° | 90.0° |
