GRB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP2 | P | doub | 1.48Å | 1.49Å | |
| OP1 | P | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.59Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| C8 | BR | sing | 1.89Å | 1.89Å | |
| C2 | N1 | sing | 1.36Å | 1.38Å | |
| N1 | C6 | sing | 1.35Å | 1.39Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | C2 | sing | 1.37Å | 1.35Å | |
| 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 | 1.36Å | |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.41Å | |
| C5 | N7 | sing | 1.36Å | 1.38Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| N7 | C8 | doub | 1.30Å | 1.30Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C1' | N9 | sing | 1.47Å | 1.47Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C1' | C2' | sing | 1.55Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| O3' | C3' | sing | 1.43Å | 1.40Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| 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 | |
| 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) |
| OP2 | P | OP1 | 118.9° | 109.4° |
| OP2 | P | OP3 | 107.1° | 109.5° |
| OP2 | P | O5' | 107.3° | 109.5° |
| OP1 | P | OP3 | 108.9° | 109.4° |
| OP1 | P | O5' | 113.2° | 109.4° |
| P | OP1 | HOP1 | 109.5° | 114.0° |
| OP3 | P | O5' | 99.6° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| P | O5' | C5' | 121.1° | 123.1° |
| BR | C8 | N7 | 122.0° | 125.1° |
| BR | C8 | N9 | 124.2° | 125.1° |
| C2 | N1 | C6 | 124.5° | 120.3° |
| C2 | N1 | HN1 | 117.8° | 119.8° |
| N1 | C2 | N2 | 116.4° | 119.1° |
| N1 | C2 | N3 | 124.2° | 121.9° |
| C6 | N1 | HN1 | 117.8° | 119.8° |
| N1 | C6 | C5 | 111.6° | 118.4° |
| N1 | C6 | O6 | 121.5° | 120.8° |
| N2 | C2 | N3 | 119.4° | 119.1° |
| C2 | N2 | HN2 | 120.0° | 120.0° |
| C2 | N2 | HN2A | 120.0° | 120.0° |
| C2 | N3 | C4 | 112.0° | 121.1° |
| HN2 | N2 | HN2A | 120.0° | 120.1° |
| N3 | C4 | C5 | 127.6° | 119.7° |
| N3 | C4 | N9 | 127.5° | 134.2° |
| C5 | C4 | N9 | 104.9° | 106.1° |
| C4 | C5 | C6 | 120.2° | 118.6° |
| C4 | C5 | N7 | 111.5° | 107.3° |
| C4 | N9 | C8 | 105.9° | 107.5° |
| C4 | N9 | C1' | 130.1° | 126.2° |
| C6 | C5 | N7 | 128.3° | 134.2° |
| C5 | C6 | O6 | 126.9° | 120.8° |
| C5 | N7 | C8 | 103.9° | 109.4° |
| N7 | C8 | N9 | 113.8° | 109.8° |
| C8 | N9 | C1' | 124.0° | 126.3° |
| N9 | C1' | O4' | 109.1° | 110.6° |
| N9 | C1' | C2' | 113.9° | 110.6° |
| N9 | C1' | H1' | 106.3° | 110.6° |
| O4' | C1' | C2' | 108.1° | 103.5° |
| O4' | C1' | H1' | 112.3° | 110.7° |
| C1' | O4' | C4' | 108.7° | 106.9° |
| C2' | C1' | H1' | 107.3° | 110.7° |
| C1' | C2' | C3' | 99.4° | 102.1° |
| C1' | C2' | O2' | 109.3° | 110.9° |
| C1' | C2' | H2' | 118.0° | 110.9° |
| C3' | C2' | O2' | 115.1° | 110.9° |
| C3' | C2' | H2' | 112.4° | 110.9° |
| C2' | C3' | C4' | 101.8° | 104.2° |
| C2' | C3' | O3' | 111.4° | 110.4° |
| C2' | C3' | H3' | 113.2° | 110.5° |
| O2' | C2' | H2' | 103.1° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C4' | C3' | O3' | 109.5° | 110.6° |
| C4' | C3' | H3' | 115.0° | 110.5° |
| C3' | C4' | C5' | 113.6° | 109.9° |
| C3' | C4' | O4' | 103.9° | 107.3° |
| C3' | C4' | H4' | 110.7° | 109.9° |
| O3' | C3' | H3' | 106.0° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C5' | C4' | O4' | 110.0° | 109.9° |
| C5' | C4' | H4' | 104.6° | 110.0° |
| C4' | C5' | O5' | 109.1° | 109.5° |
| C4' | C5' | H5' | 109.6° | 109.5° |
| C4' | C5' | H5'A | 109.6° | 109.5° |
| O4' | C4' | H4' | 114.2° | 109.8° |
| O5' | C5' | H5' | 109.6° | 109.4° |
| O5' | C5' | H5'A | 109.6° | 109.4° |
| H5' | C5' | H5'A | 109.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | OP1 | OP3 | 122.9° | 120.0° |
| OP2 | P | OP1 | O5' | 127.2° | 120.0° |
| OP2 | P | OP3 | O5' | 111.6° | 120.1° |
| OP2 | P | O5' | C5' | 91.0° | 54.9° |
| OP2 | P | OP1 | HOP1 | 0.0° | 180.0° |
| OP2 | P | OP3 | HOP3 | 0.0° | 59.9° |
| OP1 | P | OP3 | O5' | 118.7° | 120.0° |
| OP1 | P | O5' | C5' | 42.1° | 65.0° |
| OP1 | P | OP3 | HOP3 | 129.7° | 60.1° |
| OP3 | P | O5' | C5' | 157.6° | 175.0° |
| OP3 | P | OP1 | HOP1 | 122.9° | 60.0° |
| P | O5' | C5' | C4' | 167.8° | 180.0° |
| P | O5' | C5' | H5' | 72.2° | 60.0° |
| P | O5' | C5' | H5'A | 47.8° | 60.0° |
| O5' | P | OP1 | HOP1 | 127.3° | 60.0° |
| O5' | P | OP3 | HOP3 | 111.6° | 180.0° |
| BR | C8 | N9 | C4 | 178.8° | 179.9° |
| BR | C8 | N7 | C5 | 178.9° | 180.0° |
| BR | C8 | N7 | N9 | 179.2° | 179.9° |
| BR | C8 | N9 | C1' | 0.9° | 0.0° |
| C2 | N1 | C6 | HN1 | 180.0° | 179.7° |
| N1 | C2 | N2 | N3 | 178.9° | 180.0° |
| N1 | C2 | N2 | HN2 | 178.9° | 0.0° |
| N1 | C2 | N2 | HN2A | 1.1° | 180.0° |
| N1 | C2 | N3 | C4 | 1.4° | 0.0° |
| C2 | N1 | C6 | C5 | 0.7° | 0.1° |
| C2 | N1 | C6 | O6 | 178.4° | 179.8° |
| C6 | N1 | C2 | N2 | 179.5° | 180.0° |
| C6 | N1 | C2 | N3 | 0.6° | 0.0° |
| N1 | C6 | C5 | C4 | 1.1° | 0.1° |
| N1 | C6 | C5 | O6 | 177.6° | 179.8° |
| N1 | C6 | C5 | N7 | 179.8° | 180.0° |
| HN1 | N1 | C2 | N2 | 0.6° | 0.3° |
| HN1 | N1 | C2 | N3 | 179.4° | 179.7° |
| HN1 | N1 | C6 | C5 | 179.3° | 179.7° |
| HN1 | N1 | C6 | O6 | 1.5° | 0.1° |
| C2 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| N2 | C2 | N3 | C4 | 179.8° | 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 | 179.8° | 180.0° |
| N3 | C4 | C5 | N9 | 179.4° | 180.0° |
| N3 | C4 | C5 | C6 | 0.4° | 0.1° |
| N3 | C4 | C5 | N7 | 179.6° | 180.0° |
| N3 | C4 | N9 | C8 | 179.8° | 180.0° |
| N3 | C4 | N9 | C1' | 2.5° | 0.0° |
| C4 | C5 | C6 | N7 | 179.1° | 179.9° |
| C4 | C5 | C6 | O6 | 178.7° | 179.7° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | C8 | 0.4° | 0.0° |
| C5 | C4 | N9 | C1' | 178.0° | 180.0° |
| N9 | C4 | C5 | C6 | 179.1° | 180.0° |
| N9 | C4 | C5 | N7 | 0.2° | 0.0° |
| C4 | N9 | C8 | N7 | 0.4° | 0.0° |
| C4 | N9 | C8 | C1' | 177.9° | 180.0° |
| C4 | N9 | C1' | O4' | 5.3° | 140.9° |
| C4 | N9 | C1' | C2' | 115.5° | 105.0° |
| C4 | N9 | C1' | H1' | 126.6° | 18.0° |
| C6 | C5 | N7 | C8 | 179.3° | 179.9° |
| N7 | C5 | C6 | O6 | 2.2° | 0.2° |
| C5 | N7 | C8 | N9 | 0.3° | 0.0° |
| N7 | C8 | N9 | C1' | 178.3° | 180.0° |
| C8 | N9 | C1' | O4' | 172.0° | 39.1° |
| C8 | N9 | C1' | C2' | 67.2° | 75.0° |
| C8 | N9 | C1' | H1' | 50.7° | 162.1° |
| N9 | C1' | O4' | C2' | 124.4° | 118.5° |
| N9 | C1' | O4' | H1' | 117.5° | 122.9° |
| N9 | C1' | C2' | H1' | 117.3° | 122.9° |
| N9 | C1' | C2' | C3' | 91.0° | 155.5° |
| N9 | C1' | C2' | O2' | 148.0° | 86.3° |
| N9 | C1' | C2' | H2' | 30.7° | 37.3° |
| N9 | C1' | O4' | C4' | 117.3° | 158.5° |
| O4' | C1' | C2' | H1' | 121.3° | 118.6° |
| O4' | C1' | C2' | C3' | 30.4° | 37.0° |
| O4' | C1' | C2' | O2' | 90.6° | 155.2° |
| O4' | C1' | C2' | H2' | 152.1° | 81.2° |
| C1' | O4' | C4' | C3' | 19.7° | 26.5° |
| C1' | O4' | C4' | C5' | 141.7° | 145.9° |
| C1' | O4' | C4' | H4' | 100.9° | 93.0° |
| C1' | C2' | C3' | O2' | 116.6° | 118.2° |
| C1' | C2' | C3' | H2' | 125.7° | 118.2° |
| C1' | C2' | O2' | H2' | 126.3° | 123.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 40.8° | 20.9° |
| C1' | C2' | C3' | O3' | 157.4° | 97.9° |
| C1' | C2' | C3' | H3' | 83.2° | 139.6° |
| C2' | C1' | O4' | C4' | 7.0° | 40.1° |
| H1' | C1' | C2' | C3' | 151.7° | 81.6° |
| H1' | C1' | C2' | O2' | 30.7° | 36.6° |
| H1' | C1' | C2' | H2' | 86.6° | 160.2° |
| H1' | C1' | O4' | C4' | 125.2° | 78.6° |
| C3' | C2' | O2' | H2' | 122.8° | 123.7° |
| C3' | C2' | O2' | HO2' | 69.2° | 67.3° |
| C2' | C3' | C4' | O3' | 118.0° | 118.7° |
| C2' | C3' | C4' | H3' | 122.8° | 118.7° |
| C2' | C3' | O3' | H3' | 123.6° | 122.5° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | C5' | 158.0° | 121.5° |
| C2' | C3' | C4' | O4' | 38.4° | 2.0° |
| C2' | C3' | C4' | H4' | 84.6° | 117.4° |
| O2' | C2' | C3' | C4' | 75.7° | 139.1° |
| O2' | C2' | C3' | O3' | 40.9° | 20.2° |
| O2' | C2' | C3' | H3' | 160.3° | 102.2° |
| H2' | C2' | O2' | HO2' | 53.6° | 56.4° |
| H2' | C2' | C3' | C4' | 166.5° | 97.3° |
| H2' | C2' | C3' | O3' | 76.8° | 143.9° |
| H2' | C2' | C3' | H3' | 42.5° | 21.4° |
| C4' | C3' | O3' | H3' | 124.6° | 122.7° |
| C4' | C3' | O3' | HO3' | 68.2° | 176.3° |
| C3' | C4' | C5' | O4' | 116.0° | 117.9° |
| C3' | C4' | C5' | H4' | 120.9° | 121.1° |
| C3' | C4' | O4' | H4' | 120.7° | 119.5° |
| C3' | C4' | C5' | O5' | 175.0° | 175.0° |
| C3' | C4' | C5' | H5' | 65.0° | 55.0° |
| C3' | C4' | C5' | H5'A | 54.9° | 65.0° |
| O3' | C3' | C4' | C5' | 84.0° | 119.9° |
| O3' | C3' | C4' | O4' | 156.4° | 120.7° |
| O3' | C3' | C4' | H4' | 33.4° | 1.3° |
| H3' | C3' | O3' | HO3' | 56.4° | 61.0° |
| H3' | C3' | C4' | C5' | 35.2° | 2.8° |
| H3' | C3' | C4' | O4' | 84.4° | 116.6° |
| H3' | C3' | C4' | H4' | 152.6° | 123.9° |
| C5' | C4' | O4' | H4' | 117.3° | 121.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 120.1° | 120.0° |
| O4' | C4' | C5' | O5' | 58.9° | 67.2° |
| O4' | C4' | C5' | H5' | 178.9° | 172.9° |
| O4' | C4' | C5' | H5'A | 61.1° | 52.8° |
| H4' | C4' | C5' | O5' | 64.2° | 53.9° |
| H4' | C4' | C5' | H5' | 55.8° | 66.1° |
| H4' | C4' | C5' | H5'A | 175.8° | 173.9° |
| O5' | C5' | H5' | H5'A | 120.2° | 120.0° |
