XGR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5' | P | sing | 1.61Å | 1.59Å | |
| OP2 | P | doub | 1.48Å | 1.48Å | |
| OP3 | P | sing | 1.61Å | 1.58Å | |
| P | OP1 | sing | 1.61Å | 1.47Å | |
| C2 | N1 | sing | 1.36Å | 1.36Å | |
| N1 | C6 | sing | 1.35Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | C2 | sing | 1.37Å | 1.35Å | |
| C2 | N3 | doub | 1.32Å | 1.32Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.34Å | 1.34Å | |
| C4 | C5 | doub | 1.40Å | 1.36Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.40Å | |
| C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
| O6 | C6 | doub | 1.22Å | 1.24Å | |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C1' | sing | 1.47Å | 1.50Å | |
| C1' | C7' | sing | 1.50Å | 1.50Å | |
| C1' | C2' | sing | 1.53Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.53Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C3' | C4' | sing | 1.53Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C6' | C4' | sing | 1.50Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C7' | C6' | doub | 1.29Å | 1.33Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| C7' | H7' | sing | 1.08Å | 1.08Å | |
| OP1 | HOP1 | 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) |
| O5' | P | OP2 | 110.1° | 109.5° |
| O5' | P | OP3 | 103.0° | 109.5° |
| O5' | P | OP1 | 102.5° | 109.5° |
| P | O5' | C5' | 118.7° | 123.0° |
| OP2 | P | OP3 | 108.1° | 109.4° |
| OP2 | P | OP1 | 122.9° | 109.5° |
| OP3 | P | OP1 | 108.4° | 109.4° |
| P | OP3 | HOP3 | 109.5° | 113.9° |
| P | OP1 | HOP1 | 109.5° | 114.0° |
| C2 | N1 | C6 | 124.4° | 120.3° |
| C2 | N1 | HN1 | 117.8° | 119.8° |
| N1 | C2 | N2 | 116.4° | 119.1° |
| N1 | C2 | N3 | 123.7° | 121.9° |
| C6 | N1 | HN1 | 117.8° | 119.9° |
| N1 | C6 | C5 | 112.7° | 118.4° |
| N1 | C6 | O6 | 118.2° | 120.8° |
| N2 | C2 | N3 | 119.9° | 119.0° |
| C2 | N2 | HN2 | 120.0° | 120.0° |
| C2 | N2 | HN2A | 120.0° | 120.0° |
| C2 | N3 | C4 | 112.5° | 121.1° |
| HN2 | N2 | HN2A | 120.0° | 120.0° |
| N3 | C4 | C5 | 127.5° | 119.7° |
| N3 | C4 | N9 | 125.4° | 134.2° |
| C5 | C4 | N9 | 107.1° | 106.1° |
| C4 | C5 | C6 | 119.3° | 118.6° |
| C4 | C5 | N7 | 110.7° | 107.2° |
| C4 | N9 | C8 | 104.1° | 107.5° |
| C4 | N9 | C1' | 127.2° | 126.3° |
| C6 | C5 | N7 | 130.0° | 134.1° |
| C5 | C6 | O6 | 129.1° | 120.8° |
| C5 | N7 | C8 | 104.0° | 109.4° |
| N7 | C8 | N9 | 114.1° | 109.8° |
| N7 | C8 | H8 | 123.0° | 125.1° |
| N9 | C8 | H8 | 122.9° | 125.1° |
| C8 | N9 | C1' | 128.7° | 126.2° |
| N9 | C1' | C7' | 112.8° | 109.4° |
| N9 | C1' | C2' | 112.6° | 109.4° |
| N9 | C1' | H1' | 104.0° | 109.3° |
| C7' | C1' | C2' | 106.7° | 110.1° |
| C7' | C1' | H1' | 110.3° | 109.3° |
| C1' | C7' | C6' | 123.2° | 124.1° |
| C1' | C7' | H7' | 118.4° | 118.0° |
| C2' | C1' | H1' | 110.5° | 109.2° |
| C1' | C2' | C3' | 113.1° | 108.4° |
| C1' | C2' | H2' | 108.3° | 109.7° |
| C1' | C2' | H2'A | 108.3° | 109.6° |
| C3' | C2' | H2' | 108.3° | 109.7° |
| C3' | C2' | H2'A | 108.3° | 109.6° |
| C2' | C3' | C4' | 110.3° | 108.5° |
| C2' | C3' | O3' | 105.8° | 109.6° |
| C2' | C3' | H3' | 110.3° | 109.6° |
| H2' | C2' | H2'A | 110.6° | 109.8° |
| C4' | C3' | O3' | 106.3° | 109.6° |
| C4' | C3' | H3' | 109.8° | 109.7° |
| C3' | C4' | C6' | 112.0° | 110.1° |
| C3' | C4' | C5' | 113.8° | 109.4° |
| C3' | C4' | H4' | 104.3° | 109.4° |
| O3' | C3' | H3' | 114.1° | 109.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C6' | C4' | C5' | 108.7° | 109.4° |
| C6' | C4' | H4' | 109.9° | 109.2° |
| C4' | C6' | C7' | 125.4° | 124.1° |
| C4' | C6' | H6' | 117.3° | 117.9° |
| C5' | C4' | H4' | 107.9° | 109.4° |
| C4' | C5' | O5' | 108.7° | 109.5° |
| C4' | C5' | H5' | 109.7° | 109.5° |
| C4' | C5' | H5'A | 109.7° | 109.5° |
| O5' | C5' | H5' | 109.8° | 109.5° |
| O5' | C5' | H5'A | 109.7° | 109.4° |
| H5' | C5' | H5'A | 109.2° | 109.5° |
| C7' | C6' | H6' | 117.3° | 118.0° |
| C6' | C7' | H7' | 118.4° | 118.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | P | OP2 | OP3 | 111.8° | 120.0° |
| O5' | P | OP2 | OP1 | 120.7° | 120.1° |
| O5' | P | OP3 | OP1 | 108.1° | 120.0° |
| P | O5' | C5' | C4' | 170.8° | 180.0° |
| P | O5' | C5' | H5' | 50.8° | 60.0° |
| P | O5' | C5' | H5'A | 69.2° | 60.0° |
| O5' | P | OP1 | HOP1 | 124.1° | 180.0° |
| O5' | P | OP3 | HOP3 | 116.5° | 60.0° |
| OP2 | P | OP3 | OP1 | 135.4° | 120.0° |
| OP2 | P | O5' | C5' | 164.0° | 55.0° |
| OP2 | P | OP1 | HOP1 | 0.0° | 59.9° |
| OP2 | P | OP3 | HOP3 | 0.0° | 180.0° |
| OP3 | P | O5' | C5' | 48.9° | 65.0° |
| OP3 | P | OP1 | HOP1 | 127.4° | 60.1° |
| OP1 | P | O5' | C5' | 63.7° | 175.0° |
| OP1 | P | OP3 | HOP3 | 135.4° | 60.0° |
| C2 | N1 | C6 | HN1 | 180.0° | 179.8° |
| N1 | C2 | N2 | N3 | 179.8° | 179.9° |
| N1 | C2 | N2 | HN2 | 179.7° | 0.1° |
| N1 | C2 | N2 | HN2A | 0.3° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.0° |
| C2 | N1 | C6 | C5 | 0.8° | 0.1° |
| C2 | N1 | C6 | O6 | 179.3° | 179.7° |
| C6 | N1 | C2 | N2 | 179.6° | 180.0° |
| C6 | N1 | C2 | N3 | 0.7° | 0.1° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | O6 | 180.0° | 179.6° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| HN1 | N1 | C2 | N2 | 0.4° | 0.2° |
| HN1 | N1 | C2 | N3 | 179.3° | 179.7° |
| HN1 | N1 | C6 | C5 | 179.2° | 179.7° |
| HN1 | N1 | C6 | O6 | 0.7° | 0.1° |
| C2 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| N2 | C2 | N3 | C4 | 179.6° | 180.0° |
| N3 | C2 | N2 | HN2 | 0.0° | 180.0° |
| N3 | C2 | N2 | HN2A | 180.0° | 0.0° |
| C2 | N3 | C4 | C5 | 0.9° | 0.0° |
| C2 | N3 | C4 | N9 | 179.9° | 180.0° |
| N3 | C4 | C5 | N9 | 179.4° | 180.0° |
| N3 | C4 | C5 | C6 | 0.8° | 0.0° |
| N3 | C4 | C5 | N7 | 179.1° | 180.0° |
| N3 | C4 | N9 | C8 | 179.0° | 179.9° |
| N3 | C4 | N9 | C1' | 0.5° | 0.0° |
| C4 | C5 | C6 | N7 | 179.9° | 180.0° |
| C4 | C5 | C6 | O6 | 179.9° | 179.7° |
| C4 | C5 | N7 | C8 | 0.1° | 0.1° |
| C5 | C4 | N9 | C8 | 0.3° | 0.0° |
| C5 | C4 | N9 | C1' | 179.9° | 180.0° |
| N9 | C4 | C5 | C6 | 179.8° | 180.0° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | N7 | 0.3° | 0.1° |
| C4 | N9 | C8 | C1' | 179.5° | 179.9° |
| C4 | N9 | C8 | H8 | 179.7° | 180.0° |
| C4 | N9 | C1' | C7' | 140.7° | 127.9° |
| C4 | N9 | C1' | C2' | 98.5° | 111.4° |
| C4 | N9 | C1' | H1' | 21.2° | 8.2° |
| C6 | C5 | N7 | C8 | 180.0° | 179.9° |
| N7 | C5 | C6 | O6 | 0.1° | 0.3° |
| C5 | N7 | C8 | N9 | 0.1° | 0.1° |
| C5 | N7 | C8 | H8 | 179.9° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 179.9° | 180.0° |
| C8 | N9 | C1' | C7' | 38.8° | 52.1° |
| C8 | N9 | C1' | C2' | 82.1° | 68.7° |
| C8 | N9 | C1' | H1' | 158.3° | 171.8° |
| H8 | C8 | N9 | C1' | 0.2° | 0.1° |
| N9 | C1' | C7' | C2' | 124.2° | 120.3° |
| N9 | C1' | C7' | H1' | 115.8° | 119.7° |
| N9 | C1' | C2' | H1' | 115.9° | 119.6° |
| N9 | C1' | C2' | C3' | 68.8° | 70.8° |
| N9 | C1' | C2' | H2' | 171.2° | 169.5° |
| N9 | C1' | C2' | H2'A | 51.2° | 48.9° |
| N9 | C1' | C7' | C6' | 99.4° | 103.1° |
| N9 | C1' | C7' | H7' | 80.5° | 76.9° |
| C7' | C1' | C2' | H1' | 119.8° | 120.1° |
| C7' | C1' | C2' | C3' | 55.5° | 49.5° |
| C7' | C1' | C2' | H2' | 64.5° | 70.2° |
| C7' | C1' | C2' | H2'A | 175.5° | 169.1° |
| C1' | C7' | C6' | C4' | 0.3° | 0.5° |
| C1' | C7' | C6' | H7' | 180.0° | 179.9° |
| C1' | C7' | C6' | H6' | 179.7° | 179.5° |
| C1' | C2' | C3' | H2' | 120.0° | 119.7° |
| C1' | C2' | C3' | H2'A | 120.0° | 119.6° |
| C1' | C2' | H2' | H2'A | 118.5° | 120.5° |
| C1' | C2' | C3' | C4' | 61.9° | 67.5° |
| C1' | C2' | C3' | O3' | 176.4° | 172.8° |
| C1' | C2' | C3' | H3' | 59.7° | 52.3° |
| C2' | C1' | C7' | C6' | 24.7° | 17.2° |
| C2' | C1' | C7' | H7' | 155.3° | 162.9° |
| H1' | C1' | C2' | C3' | 175.3° | 169.6° |
| H1' | C1' | C2' | H2' | 55.3° | 49.9° |
| H1' | C1' | C2' | H2'A | 64.7° | 70.8° |
| H1' | C1' | C7' | C6' | 144.7° | 137.2° |
| H1' | C1' | C7' | H7' | 35.3° | 42.8° |
| C3' | C2' | H2' | H2'A | 118.5° | 120.5° |
| C2' | C3' | C4' | O3' | 114.2° | 119.7° |
| C2' | C3' | C4' | H3' | 121.8° | 119.7° |
| C2' | C3' | O3' | H3' | 121.5° | 120.5° |
| C2' | C3' | O3' | HO3' | 180.0° | 60.0° |
| C2' | C3' | C4' | C6' | 32.8° | 49.4° |
| C2' | C3' | C4' | C5' | 156.7° | 169.7° |
| C2' | C3' | C4' | H4' | 85.9° | 70.6° |
| H2' | C2' | C3' | C4' | 58.1° | 52.2° |
| H2' | C2' | C3' | O3' | 56.5° | 67.4° |
| H2' | C2' | C3' | H3' | 179.7° | 172.0° |
| H2'A | C2' | C3' | C4' | 178.1° | 172.9° |
| H2'A | C2' | C3' | O3' | 63.5° | 53.2° |
| H2'A | C2' | C3' | H3' | 60.3° | 67.4° |
| C4' | C3' | O3' | H3' | 121.2° | 120.5° |
| C4' | C3' | O3' | HO3' | 62.7° | 179.0° |
| C3' | C4' | C6' | C5' | 126.7° | 120.2° |
| C3' | C4' | C6' | H4' | 115.4° | 120.1° |
| C3' | C4' | C5' | H4' | 115.2° | 119.7° |
| C3' | C4' | C5' | O5' | 32.8° | 175.0° |
| C3' | C4' | C5' | H5' | 152.8° | 55.0° |
| C3' | C4' | C5' | H5'A | 87.3° | 65.0° |
| C3' | C4' | C6' | C7' | 3.7° | 17.1° |
| C3' | C4' | C6' | H6' | 176.3° | 162.9° |
| O3' | C3' | C4' | C6' | 147.1° | 169.1° |
| O3' | C3' | C4' | C5' | 89.1° | 70.7° |
| O3' | C3' | C4' | H4' | 28.3° | 49.1° |
| H3' | C3' | O3' | HO3' | 58.5° | 60.5° |
| H3' | C3' | C4' | C6' | 89.0° | 70.3° |
| H3' | C3' | C4' | C5' | 34.8° | 50.0° |
| H3' | C3' | C4' | H4' | 152.2° | 169.7° |
| C6' | C4' | C5' | H4' | 119.1° | 119.6° |
| C6' | C4' | C5' | O5' | 92.9° | 64.3° |
| C6' | C4' | C5' | H5' | 27.1° | 175.7° |
| C6' | C4' | C5' | H5'A | 147.1° | 55.6° |
| C4' | C6' | C7' | H6' | 180.0° | 180.0° |
| C4' | C6' | C7' | H7' | 179.7° | 179.6° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 120.3° | 120.0° |
| C5' | C4' | C6' | C7' | 130.4° | 137.3° |
| C5' | C4' | C6' | H6' | 49.6° | 42.7° |
| H4' | C4' | C5' | O5' | 148.0° | 55.3° |
| H4' | C4' | C5' | H5' | 92.0° | 64.7° |
| H4' | C4' | C5' | H5'A | 28.0° | 175.2° |
| H4' | C4' | C6' | C7' | 111.7° | 103.0° |
| H4' | C4' | C6' | H6' | 68.3° | 77.0° |
| O5' | C5' | H5' | H5'A | 120.3° | 120.0° |
| H6' | C6' | C7' | H7' | 0.4° | 0.4° |
