BGR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | BP | sing | 1.88Å | 1.94Å | |
| P | O5' | sing | 1.61Å | 1.60Å | |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.72Å | |
| N1 | C2 | sing | 1.36Å | 1.35Å | |
| N1 | C6 | sing | 1.35Å | 1.38Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.37Å | 1.31Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.34Å | 1.37Å | |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.44Å | |
| C5 | N7 | sing | 1.36Å | 1.41Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| BP | H1BP | sing | 1.21Å | 1.20Å | |
| BP | H2BP | sing | 1.21Å | 1.20Å | |
| BP | H3BP | sing | 1.21Å | 1.20Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O3' | H15 | sing | 0.97Å | 0.95Å | |
| OP2 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BP | P | O5' | 108.7° | 109.5° |
| BP | P | OP1 | 118.9° | 109.5° |
| BP | P | OP2 | 109.6° | 109.5° |
| P | BP | H1BP | 109.5° | 109.4° |
| P | BP | H2BP | 109.5° | 109.4° |
| P | BP | H3BP | 109.5° | 109.5° |
| O5' | P | OP1 | 105.6° | 109.4° |
| O5' | P | OP2 | 108.4° | 109.5° |
| P | O5' | C5' | 120.3° | 123.0° |
| OP1 | P | OP2 | 105.2° | 109.5° |
| P | OP2 | H16 | 109.5° | 114.0° |
| C2 | N1 | C6 | 124.6° | 120.3° |
| C2 | N1 | HN1 | 117.7° | 119.8° |
| N1 | C2 | N2 | 117.0° | 119.1° |
| N1 | C2 | N3 | 124.4° | 121.9° |
| C6 | N1 | HN1 | 117.7° | 119.9° |
| N1 | C6 | C5 | 113.6° | 118.4° |
| N1 | C6 | O6 | 116.5° | 120.8° |
| N2 | C2 | N3 | 118.5° | 119.0° |
| C2 | N2 | HN2 | 120.0° | 120.0° |
| C2 | N2 | HN2A | 120.0° | 120.0° |
| C2 | N3 | C4 | 112.2° | 121.1° |
| HN2 | N2 | HN2A | 120.0° | 120.1° |
| N3 | C4 | C5 | 128.4° | 119.7° |
| N3 | C4 | N9 | 126.4° | 134.2° |
| C5 | C4 | N9 | 105.2° | 106.1° |
| C4 | C5 | C6 | 116.7° | 118.6° |
| C4 | C5 | N7 | 110.5° | 107.3° |
| C4 | N9 | C8 | 107.3° | 107.5° |
| C4 | N9 | C1' | 126.9° | 126.2° |
| C6 | C5 | N7 | 132.7° | 134.2° |
| C5 | C6 | O6 | 129.8° | 120.8° |
| C5 | N7 | C8 | 103.1° | 109.3° |
| N7 | C8 | N9 | 113.7° | 109.8° |
| N7 | C8 | H8 | 123.1° | 125.1° |
| N9 | C8 | H8 | 123.2° | 125.1° |
| C8 | N9 | C1' | 125.5° | 126.3° |
| N9 | C1' | C2' | 110.1° | 109.9° |
| N9 | C1' | O4' | 106.8° | 109.8° |
| N9 | C1' | H1' | 110.2° | 109.9° |
| H1BP | BP | H2BP | 109.5° | 109.4° |
| H1BP | BP | H3BP | 109.5° | 109.5° |
| H2BP | BP | H3BP | 109.5° | 109.5° |
| C2' | C1' | O4' | 107.3° | 107.3° |
| C2' | C1' | H1' | 109.7° | 109.9° |
| C1' | C2' | C3' | 106.4° | 104.2° |
| C1' | C2' | H2' | 110.5° | 110.5° |
| C1' | C2' | H2'A | 110.5° | 110.5° |
| O4' | C1' | H1' | 112.8° | 110.0° |
| C1' | O4' | C4' | 106.5° | 107.0° |
| C3' | C2' | H2' | 110.5° | 110.5° |
| C3' | C2' | H2'A | 110.5° | 110.5° |
| C2' | C3' | O3' | 110.1° | 110.9° |
| C2' | C3' | C4' | 101.1° | 102.1° |
| C2' | C3' | H3' | 114.9° | 110.9° |
| H2' | C2' | H2'A | 108.4° | 110.6° |
| O3' | C3' | C4' | 110.9° | 110.9° |
| O3' | C3' | H3' | 105.7° | 110.8° |
| C3' | O3' | H15 | 109.5° | 114.0° |
| C4' | C3' | H3' | 114.1° | 110.9° |
| C3' | C4' | O4' | 109.4° | 103.5° |
| C3' | C4' | C5' | 117.7° | 110.6° |
| C3' | C4' | H4' | 105.4° | 110.6° |
| O4' | C4' | C5' | 114.2° | 110.6° |
| O4' | C4' | H4' | 109.7° | 110.6° |
| C5' | C4' | H4' | 99.5° | 110.6° |
| C4' | C5' | O5' | 113.8° | 109.5° |
| C4' | C5' | H5' | 108.1° | 109.5° |
| C4' | C5' | H5'A | 108.0° | 109.4° |
| O5' | C5' | H5' | 108.0° | 109.5° |
| O5' | C5' | H5'A | 108.0° | 109.5° |
| H5' | C5' | H5'A | 110.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BP | P | O5' | OP1 | 128.6° | 120.0° |
| BP | P | O5' | OP2 | 119.1° | 120.0° |
| BP | P | OP1 | OP2 | 123.3° | 120.1° |
| P | BP | H1BP | H2BP | 120.0° | 119.9° |
| P | BP | H1BP | H3BP | 120.0° | 120.0° |
| P | BP | H2BP | H3BP | 120.0° | 120.0° |
| BP | P | O5' | C5' | 29.4° | 75.0° |
| BP | P | OP2 | H16 | 129.0° | 59.9° |
| O5' | P | OP1 | OP2 | 114.5° | 120.0° |
| O5' | P | BP | H1BP | 180.0° | 60.0° |
| O5' | P | BP | H2BP | 60.0° | 179.9° |
| O5' | P | BP | H3BP | 60.0° | 60.0° |
| P | O5' | C5' | C4' | 175.4° | 180.0° |
| P | O5' | C5' | H5' | 55.4° | 59.9° |
| P | O5' | C5' | H5'A | 64.6° | 60.1° |
| O5' | P | OP2 | H16 | 112.5° | 60.1° |
| OP1 | P | BP | H1BP | 59.3° | 59.9° |
| OP1 | P | BP | H2BP | 179.4° | 60.0° |
| OP1 | P | BP | H3BP | 60.7° | 180.0° |
| OP1 | P | O5' | C5' | 158.0° | 45.0° |
| OP1 | P | OP2 | H16 | 0.0° | 180.0° |
| OP2 | P | BP | H1BP | 61.7° | 180.0° |
| OP2 | P | BP | H2BP | 58.3° | 60.1° |
| OP2 | P | BP | H3BP | 178.3° | 60.0° |
| OP2 | P | O5' | C5' | 89.7° | 165.0° |
| C2 | N1 | C6 | HN1 | 180.0° | 179.6° |
| N1 | C2 | N2 | N3 | 176.4° | 180.0° |
| N1 | C2 | N2 | HN2 | 176.4° | 0.0° |
| N1 | C2 | N2 | HN2A | 3.6° | 180.0° |
| N1 | C2 | N3 | C4 | 2.4° | 0.0° |
| C2 | N1 | C6 | C5 | 1.7° | 0.1° |
| C2 | N1 | C6 | O6 | 179.2° | 180.0° |
| C6 | N1 | C2 | N2 | 175.0° | 179.9° |
| C6 | N1 | C2 | N3 | 1.2° | 0.1° |
| N1 | C6 | C5 | C4 | 2.9° | 0.1° |
| N1 | C6 | C5 | O6 | 179.0° | 179.9° |
| N1 | C6 | C5 | N7 | 173.8° | 179.9° |
| HN1 | N1 | C2 | N2 | 5.0° | 0.4° |
| HN1 | N1 | C2 | N3 | 178.8° | 179.7° |
| HN1 | N1 | C6 | C5 | 178.3° | 179.7° |
| HN1 | N1 | C6 | O6 | 0.8° | 0.4° |
| C2 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| N2 | C2 | N3 | C4 | 173.7° | 180.0° |
| N3 | C2 | N2 | HN2 | 0.0° | 180.0° |
| N3 | C2 | N2 | HN2A | 180.0° | 0.0° |
| C2 | N3 | C4 | C5 | 0.8° | 0.0° |
| C2 | N3 | C4 | N9 | 177.2° | 179.9° |
| N3 | C4 | C5 | N9 | 178.4° | 179.9° |
| N3 | C4 | C5 | C6 | 1.9° | 0.1° |
| N3 | C4 | C5 | N7 | 175.6° | 180.0° |
| N3 | C4 | N9 | C8 | 174.6° | 179.9° |
| N3 | C4 | N9 | C1' | 0.3° | 0.1° |
| C4 | C5 | C6 | N7 | 176.7° | 180.0° |
| C4 | C5 | C6 | O6 | 178.1° | 180.0° |
| C4 | C5 | N7 | C8 | 0.7° | 0.0° |
| C5 | C4 | N9 | C8 | 3.8° | 0.0° |
| C5 | C4 | N9 | C1' | 178.1° | 180.0° |
| N9 | C4 | C5 | C6 | 179.8° | 180.0° |
| N9 | C4 | C5 | N7 | 2.8° | 0.0° |
| C4 | N9 | C8 | N7 | 3.7° | 0.0° |
| C4 | N9 | C8 | C1' | 174.4° | 180.0° |
| C4 | N9 | C8 | H8 | 176.3° | 180.0° |
| C4 | N9 | C1' | C2' | 97.4° | 85.0° |
| C4 | N9 | C1' | O4' | 146.4° | 157.2° |
| C4 | N9 | C1' | H1' | 23.6° | 36.1° |
| C6 | C5 | N7 | C8 | 177.5° | 180.0° |
| N7 | C5 | C6 | O6 | 5.2° | 0.0° |
| C5 | N7 | C8 | N9 | 1.9° | 0.0° |
| C5 | N7 | C8 | H8 | 178.2° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 178.1° | 180.0° |
| C8 | N9 | C1' | C2' | 75.9° | 95.0° |
| C8 | N9 | C1' | O4' | 40.3° | 22.8° |
| C8 | N9 | C1' | H1' | 163.1° | 143.9° |
| H8 | C8 | N9 | C1' | 1.9° | 0.0° |
| N9 | C1' | C2' | O4' | 115.9° | 119.4° |
| N9 | C1' | C2' | H1' | 121.3° | 121.1° |
| N9 | C1' | O4' | H1' | 121.1° | 121.1° |
| N9 | C1' | C2' | C3' | 125.4° | 121.4° |
| N9 | C1' | C2' | H2' | 114.5° | 119.9° |
| N9 | C1' | C2' | H2'A | 5.5° | 2.7° |
| N9 | C1' | O4' | C4' | 143.5° | 145.9° |
| H1BP | BP | H2BP | H3BP | 120.0° | 120.1° |
| C2' | C1' | O4' | H1' | 120.9° | 119.5° |
| C1' | C2' | C3' | H2' | 120.0° | 118.7° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.7° |
| C1' | C2' | H2' | H2'A | 121.3° | 122.6° |
| C1' | C2' | C3' | O3' | 126.0° | 139.1° |
| C1' | C2' | C3' | C4' | 8.6° | 20.9° |
| C1' | C2' | C3' | H3' | 114.8° | 97.4° |
| C2' | C1' | O4' | C4' | 25.5° | 26.5° |
| O4' | C1' | C2' | C3' | 9.6° | 2.1° |
| O4' | C1' | C2' | H2' | 129.6° | 120.7° |
| O4' | C1' | C2' | H2'A | 110.4° | 116.6° |
| C1' | O4' | C4' | C3' | 32.4° | 40.1° |
| C1' | O4' | C4' | C5' | 166.7° | 158.6° |
| C1' | O4' | C4' | H4' | 82.7° | 78.4° |
| H1' | C1' | C2' | C3' | 113.2° | 117.5° |
| H1' | C1' | C2' | H2' | 6.8° | 1.1° |
| H1' | C1' | C2' | H2'A | 126.8° | 123.8° |
| H1' | C1' | O4' | C4' | 95.4° | 93.0° |
| C3' | C2' | H2' | H2'A | 121.2° | 122.6° |
| C2' | C3' | O3' | C4' | 111.1° | 112.7° |
| C2' | C3' | O3' | H3' | 124.7° | 123.6° |
| C2' | C3' | C4' | H3' | 123.9° | 118.2° |
| C2' | C3' | C4' | O4' | 24.9° | 37.0° |
| C2' | C3' | C4' | C5' | 157.4° | 155.6° |
| C2' | C3' | C4' | H4' | 92.9° | 81.5° |
| C2' | C3' | O3' | H15 | 180.0° | 61.4° |
| H2' | C2' | C3' | O3' | 6.0° | 20.4° |
| H2' | C2' | C3' | C4' | 111.4° | 97.8° |
| H2' | C2' | C3' | H3' | 125.2° | 144.0° |
| H2'A | C2' | C3' | O3' | 114.0° | 102.2° |
| H2'A | C2' | C3' | C4' | 128.6° | 139.5° |
| H2'A | C2' | C3' | H3' | 5.3° | 21.3° |
| O3' | C3' | C4' | H3' | 119.3° | 123.6° |
| O3' | C3' | C4' | O4' | 141.7° | 155.2° |
| O3' | C3' | C4' | C5' | 85.8° | 86.2° |
| O3' | C3' | C4' | H4' | 23.9° | 36.7° |
| C3' | C4' | O4' | C5' | 134.3° | 118.5° |
| C3' | C4' | O4' | H4' | 115.1° | 118.5° |
| C3' | C4' | C5' | H4' | 113.0° | 123.0° |
| C3' | C4' | C5' | O5' | 62.5° | 175.0° |
| C3' | C4' | C5' | H5' | 177.5° | 54.9° |
| C3' | C4' | C5' | H5'A | 57.5° | 65.0° |
| C4' | C3' | O3' | H15 | 68.9° | 174.1° |
| H3' | C3' | C4' | O4' | 99.0° | 81.2° |
| H3' | C3' | C4' | C5' | 33.5° | 37.4° |
| H3' | C3' | C4' | H4' | 143.2° | 160.3° |
| H3' | C3' | O3' | H15 | 55.3° | 62.2° |
| O4' | C4' | C5' | H4' | 116.7° | 122.9° |
| O4' | C4' | C5' | O5' | 67.8° | 70.9° |
| O4' | C4' | C5' | H5' | 52.2° | 169.0° |
| O4' | C4' | C5' | H5'A | 172.2° | 49.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.1° |
| C4' | C5' | O5' | H5'A | 120.0° | 119.9° |
| C4' | C5' | H5' | H5'A | 118.2° | 119.9° |
| H4' | C4' | C5' | O5' | 175.5° | 52.1° |
| H4' | C4' | C5' | H5' | 64.5° | 68.0° |
| H4' | C4' | C5' | H5'A | 55.5° | 172.0° |
| O5' | C5' | H5' | H5'A | 118.2° | 120.0° |
