8XG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C2 | sing | 1.37Å | 1.33Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | |
| C2 | N1 | sing | 1.36Å | 1.38Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| N1 | C6 | sing | 1.35Å | 1.39Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C3' | C4' | sing | 1.55Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.41Å | 1.42Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| O5' | P | sing | 1.61Å | 1.61Å | |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | O1 | sing | 1.61Å | 1.61Å | |
| OP2 | H2 | sing | 0.97Å | 0.95Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | H3 | sing | 0.97Å | 0.95Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C2 | N3 | 119.5° | 119.0° |
| N2 | C2 | N1 | 116.8° | 119.1° |
| C2 | N2 | H21 | 120.0° | 120.1° |
| C2 | N2 | H22 | 120.0° | 120.0° |
| O2' | C2' | C1' | 111.6° | 110.5° |
| O2' | C2' | C3' | 111.4° | 110.3° |
| O2' | C2' | H2' | 111.2° | 110.5° |
| C2' | O2' | HO2' | 109.5° | 114.1° |
| N3 | C2 | N1 | 123.6° | 121.9° |
| C2 | N3 | C4 | 112.1° | 121.1° |
| C2 | N1 | C6 | 125.1° | 120.4° |
| C2 | N1 | H1 | 117.5° | 119.8° |
| N3 | C4 | N9 | 125.7° | 134.2° |
| N3 | C4 | C5 | 128.2° | 119.7° |
| C1' | C2' | C3' | 102.9° | 104.3° |
| C2' | C1' | O4' | 108.4° | 107.2° |
| C2' | C1' | N9 | 110.8° | 109.9° |
| C2' | C1' | H1' | 108.2° | 110.0° |
| C1' | C2' | H2' | 109.8° | 110.4° |
| C2' | C3' | C4' | 103.2° | 102.0° |
| C2' | C3' | O3' | 111.7° | 110.9° |
| C3' | C2' | H2' | 109.7° | 110.6° |
| C2' | C3' | H3' | 109.7° | 110.9° |
| N1 | C6 | C5 | 111.5° | 118.3° |
| N1 | C6 | O6 | 120.2° | 120.8° |
| C6 | N1 | H1 | 117.5° | 119.8° |
| O4' | C1' | N9 | 111.0° | 109.9° |
| C1' | O4' | C4' | 108.8° | 107.0° |
| O4' | C1' | H1' | 109.6° | 109.9° |
| C1' | N9 | C4 | 125.3° | 126.3° |
| C1' | N9 | C8 | 129.3° | 126.3° |
| N9 | C1' | H1' | 108.9° | 109.9° |
| C4' | C3' | O3' | 111.2° | 110.8° |
| C3' | C4' | O4' | 109.0° | 103.6° |
| C3' | C4' | C5' | 110.4° | 110.6° |
| C3' | C4' | H4' | 108.7° | 110.6° |
| C4' | C3' | H3' | 109.8° | 111.2° |
| O3' | C3' | H3' | 111.1° | 110.8° |
| C3' | O3' | H3 | 109.5° | 114.0° |
| N9 | C4 | C5 | 106.1° | 106.1° |
| C4 | N9 | C8 | 105.3° | 107.5° |
| C4 | C5 | C6 | 119.4° | 118.6° |
| C4 | C5 | N7 | 110.6° | 107.2° |
| O4' | C4' | C5' | 110.1° | 110.6° |
| O4' | C4' | H4' | 110.0° | 110.6° |
| N9 | C8 | N7 | 114.8° | 109.8° |
| N9 | C8 | H8 | 122.6° | 125.1° |
| C4' | C5' | O5' | 112.2° | 109.5° |
| C4' | C5' | H5' | 108.8° | 109.5° |
| C4' | C5' | H5'' | 108.8° | 109.5° |
| C5' | C4' | H4' | 108.7° | 110.6° |
| C5 | C6 | O6 | 128.3° | 120.9° |
| C6 | C5 | N7 | 130.0° | 134.2° |
| C5 | N7 | C8 | 103.2° | 109.4° |
| N7 | C8 | H8 | 122.6° | 125.1° |
| C5' | O5' | P | 120.1° | 123.0° |
| O5' | C5' | H5' | 108.8° | 109.4° |
| O5' | C5' | H5'' | 108.8° | 109.5° |
| O5' | P | OP1 | 108.6° | 109.5° |
| O5' | P | OP2 | 108.6° | 109.5° |
| O5' | P | O1 | 101.6° | 109.5° |
| OP1 | P | OP2 | 119.2° | 109.5° |
| OP1 | P | O1 | 108.7° | 109.5° |
| OP2 | P | O1 | 108.6° | 109.5° |
| P | OP2 | H2 | 109.5° | 114.0° |
| P | O1 | H4 | 109.5° | 114.1° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| H21 | N2 | H22 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C2 | N3 | N1 | 179.0° | 180.0° |
| N2 | C2 | N3 | C4 | 178.8° | 180.0° |
| N2 | C2 | N1 | C6 | 178.7° | 180.0° |
| C2 | N2 | H21 | H22 | 180.0° | 180.0° |
| N2 | C2 | N1 | H1 | 1.3° | 0.0° |
| O2' | C2' | C1' | C3' | 119.6° | 118.6° |
| O2' | C2' | C1' | H2' | 123.7° | 122.6° |
| O2' | C2' | C3' | H2' | 123.5° | 122.6° |
| O2' | C2' | C1' | O4' | 93.2° | 120.7° |
| O2' | C2' | C1' | N9 | 144.8° | 119.9° |
| O2' | C2' | C3' | C4' | 93.3° | 98.0° |
| O2' | C2' | C3' | O3' | 147.3° | 144.0° |
| O2' | C2' | C1' | H1' | 25.5° | 1.3° |
| O2' | C2' | C3' | H3' | 23.7° | 20.4° |
| N3 | C2 | N1 | C6 | 0.4° | 0.0° |
| C2 | N3 | C4 | N9 | 179.9° | 179.9° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| N3 | C2 | N2 | H21 | 0.0° | 0.1° |
| N3 | C2 | N2 | H22 | 180.0° | 180.0° |
| N3 | C2 | N1 | H1 | 179.6° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.0° |
| C2 | N1 | C6 | H1 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.0° |
| C2 | N1 | C6 | O6 | 179.6° | 180.0° |
| N1 | C2 | N2 | H21 | 179.1° | 179.9° |
| N1 | C2 | N2 | H22 | 0.9° | 0.0° |
| N3 | C4 | N9 | C1' | 0.7° | 0.1° |
| N3 | C4 | N9 | C5 | 179.8° | 179.9° |
| N3 | C4 | N9 | C8 | 180.0° | 179.8° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| C1' | C2' | C3' | H2' | 116.8° | 118.7° |
| C2' | C1' | O4' | N9 | 121.8° | 119.5° |
| C2' | C1' | O4' | H1' | 117.9° | 119.6° |
| C2' | C1' | N9 | H1' | 118.9° | 121.2° |
| C1' | C2' | C3' | C4' | 26.4° | 20.7° |
| C1' | C2' | C3' | O3' | 93.0° | 97.3° |
| C2' | C1' | N9 | C4 | 75.1° | 86.0° |
| C2' | C1' | O4' | C4' | 15.0° | 26.5° |
| C2' | C1' | N9 | C8 | 105.8° | 94.2° |
| C1' | C2' | O2' | HO2' | 180.0° | 179.9° |
| C1' | C2' | C3' | H3' | 143.3° | 139.1° |
| C3' | C2' | C1' | O4' | 26.3° | 2.2° |
| C3' | C2' | C1' | N9 | 95.7° | 121.6° |
| C2' | C3' | C4' | O3' | 119.8° | 118.0° |
| C2' | C3' | C4' | H3' | 116.9° | 118.3° |
| C2' | C3' | O3' | H3' | 122.8° | 123.6° |
| C2' | C3' | C4' | O4' | 19.0° | 36.8° |
| C2' | C3' | C4' | C5' | 139.9° | 155.4° |
| C2' | C3' | C4' | H4' | 101.0° | 81.7° |
| C3' | C2' | C1' | H1' | 145.1° | 117.3° |
| C3' | C2' | O2' | HO2' | 65.6° | 65.2° |
| C2' | C3' | O3' | H3 | 180.0° | 61.5° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | O6 | 179.9° | 179.9° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| O4' | C1' | N9 | H1' | 120.7° | 121.0° |
| C1' | O4' | C4' | C3' | 2.8° | 40.0° |
| O4' | C1' | N9 | C4 | 164.5° | 156.2° |
| O4' | C1' | N9 | C8 | 14.6° | 23.6° |
| C1' | O4' | C4' | C5' | 123.9° | 158.6° |
| C1' | O4' | C4' | H4' | 116.3° | 78.6° |
| O4' | C1' | C2' | H2' | 143.1° | 116.7° |
| C1' | N9 | C4 | C8 | 179.3° | 179.8° |
| C1' | N9 | C4 | C5 | 179.1° | 180.0° |
| N9 | C1' | O4' | C4' | 106.8° | 146.0° |
| C1' | N9 | C8 | N7 | 179.2° | 179.8° |
| C1' | N9 | C8 | H8 | 0.8° | 0.1° |
| N9 | C1' | C2' | H2' | 21.1° | 2.7° |
| C4' | C3' | O3' | H3' | 122.5° | 123.9° |
| C3' | C4' | O4' | C5' | 121.2° | 118.6° |
| C3' | C4' | O4' | H4' | 119.1° | 118.6° |
| C3' | C4' | C5' | H4' | 119.1° | 122.9° |
| C3' | C4' | C5' | O5' | 113.0° | 177.2° |
| C3' | C4' | C5' | H5' | 7.4° | 62.8° |
| C3' | C4' | C5' | H5'' | 126.6° | 57.2° |
| C4' | C3' | C2' | H2' | 143.2° | 139.4° |
| C4' | C3' | O3' | H3 | 65.4° | 174.0° |
| O3' | C3' | C4' | O4' | 100.9° | 81.2° |
| O3' | C3' | C4' | C5' | 20.1° | 37.3° |
| O3' | C3' | C4' | H4' | 139.2° | 160.2° |
| O3' | C3' | C2' | H2' | 23.8° | 21.5° |
| N9 | C4 | C5 | C6 | 179.8° | 180.0° |
| N9 | C4 | C5 | N7 | 0.2° | 0.0° |
| C4 | N9 | C8 | N7 | 0.0° | 0.3° |
| C4 | N9 | C1' | H1' | 43.8° | 35.3° |
| C4 | N9 | C8 | H8 | 179.9° | 179.7° |
| C5 | C4 | N9 | C8 | 0.1° | 0.2° |
| C4 | C5 | C6 | N7 | 180.0° | 180.0° |
| C4 | C5 | C6 | O6 | 179.8° | 180.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.2° |
| O4' | C4' | C5' | H4' | 120.5° | 122.9° |
| O4' | C4' | C5' | O5' | 126.7° | 68.6° |
| O4' | C4' | C5' | H5' | 112.9° | 51.4° |
| O4' | C4' | C5' | H5'' | 6.3° | 171.4° |
| C4' | O4' | C1' | H1' | 132.9° | 93.0° |
| O4' | C4' | C3' | H3' | 135.9° | 155.1° |
| N9 | C8 | N7 | C5 | 0.1° | 0.3° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C8 | N9 | C1' | H1' | 135.3° | 144.6° |
| C4' | C5' | O5' | H5' | 120.4° | 120.0° |
| C4' | C5' | O5' | H5'' | 120.4° | 120.0° |
| C4' | C5' | O5' | P | 139.7° | 180.0° |
| C4' | C5' | H5' | H5'' | 118.8° | 120.0° |
| C5' | C4' | C3' | H3' | 103.2° | 86.4° |
| C6 | C5 | N7 | C8 | 179.9° | 179.8° |
| C5 | C6 | N1 | H1 | 179.7° | 179.9° |
| O6 | C6 | C5 | N7 | 0.2° | 0.0° |
| O6 | C6 | N1 | H1 | 0.4° | 0.0° |
| C5 | N7 | C8 | H8 | 180.0° | 179.7° |
| C5' | O5' | P | OP1 | 174.9° | 55.0° |
| C5' | O5' | P | OP2 | 54.0° | 175.0° |
| C5' | O5' | P | O1 | 60.4° | 65.0° |
| O5' | C5' | H5' | H5'' | 118.7° | 120.0° |
| O5' | C5' | C4' | H4' | 6.1° | 54.3° |
| O5' | P | OP1 | OP2 | 125.1° | 120.0° |
| O5' | P | OP1 | O1 | 109.8° | 120.0° |
| O5' | P | OP2 | O1 | 109.8° | 120.0° |
| O5' | P | OP2 | H2 | 125.1° | 180.0° |
| P | O5' | C5' | H5' | 99.9° | 60.0° |
| P | O5' | C5' | H5'' | 19.3° | 60.0° |
| O5' | P | O1 | H4 | 114.4° | 60.1° |
| OP1 | P | OP2 | O1 | 125.1° | 120.0° |
| OP1 | P | OP2 | H2 | 0.0° | 60.0° |
| OP1 | P | O1 | H4 | 0.0° | 180.0° |
| OP2 | P | O1 | H4 | 131.2° | 60.0° |
| O1 | P | OP2 | H2 | 125.1° | 60.0° |
| H5' | C5' | C4' | H4' | 126.5° | 174.3° |
| H5'' | C5' | C4' | H4' | 114.3° | 65.7° |
| H4' | C4' | C3' | H3' | 15.9° | 36.5° |
| H1' | C1' | C2' | H2' | 98.2° | 123.9° |
| H2' | C2' | O2' | HO2' | 57.1° | 57.4° |
| H2' | C2' | C3' | H3' | 99.9° | 102.1° |
| H3' | C3' | O3' | H3 | 57.2° | 62.1° |
