8BR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.51Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| P | O3P | sing | 1.61Å | 1.50Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.46Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.56Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.38Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.40Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.41Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
| C8 | BR8 | sing | 1.89Å | 1.86Å | |
| C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.44Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.39Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.30Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 117.0° | 109.5° |
| O1P | P | O3P | 116.2° | 109.5° |
| O1P | P | O5' | 101.2° | 109.4° |
| O2P | P | O3P | 115.1° | 109.4° |
| O2P | P | O5' | 102.3° | 109.5° |
| P | O2P | HOP2 | 117.0° | 106.8° |
| O3P | P | O5' | 101.2° | 109.5° |
| P | O3P | HOP3 | 116.2° | 106.8° |
| P | O5' | C5' | 119.3° | 106.9° |
| O5' | C5' | C4' | 107.4° | 109.5° |
| O5' | C5' | H5'1 | 113.0° | 109.4° |
| O5' | C5' | H5'2 | 113.0° | 109.5° |
| C4' | C5' | H5'1 | 113.0° | 109.5° |
| C4' | C5' | H5'2 | 112.9° | 109.5° |
| C5' | C4' | O4' | 111.1° | 110.3° |
| C5' | C4' | C3' | 114.8° | 110.4° |
| C5' | C4' | H4' | 103.3° | 110.3° |
| H5'1 | C5' | H5'2 | 97.5° | 109.5° |
| O4' | C4' | C3' | 105.1° | 104.8° |
| O4' | C4' | H4' | 113.4° | 110.5° |
| C4' | O4' | C1' | 107.9° | 105.3° |
| C3' | C4' | H4' | 109.4° | 110.3° |
| C4' | C3' | O3' | 109.9° | 110.5° |
| C4' | C3' | C2' | 105.0° | 104.1° |
| C4' | C3' | H3' | 112.1° | 110.6° |
| O4' | C1' | C2' | 107.0° | 104.9° |
| O4' | C1' | N9 | 108.4° | 110.4° |
| O4' | C1' | H1' | 113.6° | 110.4° |
| O3' | C3' | C2' | 109.6° | 110.5° |
| O3' | C3' | H3' | 107.7° | 110.4° |
| C3' | O3' | HO3' | 109.9° | 106.8° |
| C2' | C3' | H3' | 112.4° | 110.6° |
| C3' | C2' | O2' | 116.1° | 110.5° |
| C3' | C2' | C1' | 100.2° | 104.0° |
| C3' | C2' | H2' | 113.5° | 110.5° |
| O2' | C2' | C1' | 114.8° | 110.8° |
| O2' | C2' | H2' | 98.4° | 110.5° |
| C2' | O2' | HO2' | 116.1° | 106.7° |
| C1' | C2' | H2' | 114.8° | 110.4° |
| C2' | C1' | N9 | 114.5° | 110.4° |
| C2' | C1' | H1' | 107.5° | 110.4° |
| N9 | C1' | H1' | 106.0° | 110.3° |
| C1' | N9 | C8 | 127.2° | 126.3° |
| C1' | N9 | C4 | 123.7° | 126.2° |
| C8 | N9 | C4 | 107.2° | 107.4° |
| N9 | C8 | BR8 | 125.6° | 125.0° |
| N9 | C8 | N7 | 112.3° | 110.0° |
| N9 | C4 | C5 | 103.6° | 106.0° |
| N9 | C4 | N3 | 133.2° | 135.0° |
| BR8 | C8 | N7 | 122.1° | 125.0° |
| C8 | N7 | C5 | 103.6° | 109.4° |
| N7 | C5 | C6 | 131.0° | 134.7° |
| N7 | C5 | C4 | 112.8° | 107.2° |
| C6 | C5 | C4 | 116.2° | 118.1° |
| C5 | C6 | N6 | 122.2° | 120.8° |
| C5 | C6 | N1 | 118.5° | 118.5° |
| C5 | C4 | N3 | 123.2° | 119.1° |
| N6 | C6 | N1 | 119.4° | 120.7° |
| C6 | N6 | HN61 | 122.2° | 120.0° |
| C6 | N6 | HN62 | 107.7° | 120.0° |
| C6 | N1 | C2 | 121.1° | 121.2° |
| HN61 | N6 | HN62 | 107.6° | 120.0° |
| N1 | C2 | N3 | 122.7° | 122.5° |
| N1 | C2 | H2 | 122.1° | 118.7° |
| N3 | C2 | H2 | 115.2° | 118.8° |
| C2 | N3 | C4 | 115.4° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 141.7° | 120.0° |
| O1P | P | O2P | O5' | 109.5° | 120.0° |
| O1P | P | O3P | O5' | 108.5° | 120.0° |
| O1P | P | O2P | HOP2 | 180.0° | 60.0° |
| O1P | P | O3P | HOP3 | 180.0° | 180.0° |
| O1P | P | O5' | C5' | 66.1° | 60.0° |
| O2P | P | O3P | O5' | 109.4° | 120.0° |
| O2P | P | O3P | HOP3 | 37.9° | 60.0° |
| O2P | P | O5' | C5' | 55.0° | 180.0° |
| O3P | P | O2P | HOP2 | 38.2° | 60.0° |
| O3P | P | O5' | C5' | 174.1° | 60.0° |
| O5' | P | O2P | HOP2 | 70.5° | 180.0° |
| O5' | P | O3P | HOP3 | 71.5° | 60.0° |
| P | O5' | C5' | C4' | 157.0° | 180.0° |
| P | O5' | C5' | H5'1 | 77.7° | 60.0° |
| P | O5' | C5' | H5'2 | 31.7° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 119.9° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 118.9° | 119.9° |
| O5' | C5' | C4' | O4' | 141.5° | 61.5° |
| O5' | C5' | C4' | C3' | 99.4° | 176.9° |
| O5' | C5' | C4' | H4' | 19.6° | 60.9° |
| C4' | C5' | H5'1 | H5'2 | 118.9° | 120.1° |
| C5' | C4' | O4' | C3' | 124.8° | 118.9° |
| C5' | C4' | O4' | H4' | 115.8° | 122.3° |
| C5' | C4' | C3' | H4' | 115.6° | 122.2° |
| C5' | C4' | O4' | C1' | 145.4° | 159.4° |
| C5' | C4' | C3' | O3' | 123.5° | 98.4° |
| C5' | C4' | C3' | C2' | 118.6° | 142.9° |
| C5' | C4' | C3' | H3' | 3.7° | 24.2° |
| H5'1 | C5' | C4' | O4' | 16.2° | 178.5° |
| H5'1 | C5' | C4' | C3' | 135.3° | 63.2° |
| H5'1 | C5' | C4' | H4' | 105.7° | 59.1° |
| H5'2 | C5' | C4' | O4' | 93.2° | 58.5° |
| H5'2 | C5' | C4' | C3' | 25.9° | 56.9° |
| H5'2 | C5' | C4' | H4' | 144.9° | 179.1° |
| O4' | C4' | C3' | H4' | 122.0° | 119.0° |
| O4' | C4' | C3' | O3' | 114.1° | 142.8° |
| O4' | C4' | C3' | C2' | 3.8° | 24.1° |
| O4' | C4' | C3' | H3' | 126.1° | 94.6° |
| C4' | O4' | C1' | C2' | 37.7° | 40.5° |
| C4' | O4' | C1' | N9 | 161.7° | 159.4° |
| C4' | O4' | C1' | H1' | 80.7° | 78.4° |
| C3' | C4' | O4' | C1' | 20.7° | 40.6° |
| C4' | C3' | O3' | C2' | 115.0° | 114.7° |
| C4' | C3' | O3' | H3' | 122.5° | 122.7° |
| C4' | C3' | C2' | H3' | 122.2° | 118.8° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 147.8° | 118.7° |
| C4' | C3' | C2' | C1' | 23.6° | 0.2° |
| C4' | C3' | C2' | H2' | 99.2° | 118.7° |
| H4' | C4' | O4' | C1' | 98.8° | 78.3° |
| H4' | C4' | C3' | O3' | 7.9° | 23.8° |
| H4' | C4' | C3' | C2' | 125.8° | 94.8° |
| H4' | C4' | C3' | H3' | 111.9° | 146.4° |
| O4' | C1' | C2' | C3' | 37.9° | 23.9° |
| O4' | C1' | C2' | O2' | 163.0° | 142.6° |
| O4' | C1' | C2' | N9 | 120.2° | 118.9° |
| O4' | C1' | C2' | H1' | 122.4° | 118.9° |
| O4' | C1' | C2' | H2' | 84.0° | 94.7° |
| O4' | C1' | N9 | H1' | 122.3° | 122.2° |
| O4' | C1' | N9 | C8 | 53.0° | 152.9° |
| O4' | C1' | N9 | C4 | 109.0° | 27.0° |
| O3' | C3' | C2' | H3' | 119.7° | 122.6° |
| O3' | C3' | C2' | O2' | 29.7° | 0.1° |
| O3' | C3' | C2' | C1' | 94.5° | 118.8° |
| O3' | C3' | C2' | H2' | 142.7° | 122.7° |
| C2' | C3' | O3' | HO3' | 65.0° | 65.3° |
| C3' | C2' | O2' | C1' | 116.3° | 114.7° |
| C3' | C2' | O2' | H2' | 121.4° | 122.6° |
| C3' | C2' | C1' | H2' | 121.9° | 118.6° |
| C3' | C2' | O2' | HO2' | 179.9° | 61.5° |
| C3' | C2' | C1' | N9 | 158.1° | 142.8° |
| C3' | C2' | C1' | H1' | 84.4° | 95.0° |
| H3' | C3' | O3' | HO3' | 57.5° | 57.4° |
| H3' | C3' | C2' | O2' | 90.0° | 122.5° |
| H3' | C3' | C2' | C1' | 145.8° | 118.6° |
| H3' | C3' | C2' | H2' | 22.9° | 0.1° |
| O2' | C2' | C1' | H2' | 113.0° | 122.7° |
| O2' | C2' | C1' | N9 | 76.8° | 98.5° |
| O2' | C2' | C1' | H1' | 40.6° | 23.7° |
| C1' | C2' | O2' | HO2' | 63.8° | 176.2° |
| C2' | C1' | N9 | H1' | 118.3° | 122.2° |
| C2' | C1' | N9 | C8 | 66.4° | 91.6° |
| C2' | C1' | N9 | C4 | 131.6° | 88.5° |
| H2' | C2' | O2' | HO2' | 58.6° | 61.2° |
| H2' | C2' | C1' | N9 | 36.2° | 24.2° |
| H2' | C2' | C1' | H1' | 153.6° | 146.4° |
| C1' | N9 | C8 | C4 | 164.4° | 179.9° |
| C1' | N9 | C8 | BR8 | 7.7° | 0.0° |
| C1' | N9 | C8 | N7 | 171.4° | 180.0° |
| C1' | N9 | C4 | C5 | 172.2° | 179.7° |
| C1' | N9 | C4 | N3 | 8.0° | 0.0° |
| H1' | C1' | N9 | C8 | 175.3° | 30.6° |
| H1' | C1' | N9 | C4 | 13.4° | 149.2° |
| N9 | C8 | BR8 | N7 | 179.0° | 180.0° |
| N9 | C8 | N7 | C5 | 3.2° | 0.4° |
| C8 | N9 | C4 | C5 | 7.2° | 0.2° |
| C8 | N9 | C4 | N3 | 173.0° | 179.9° |
| C4 | N9 | C8 | BR8 | 172.1° | 179.9° |
| C4 | N9 | C8 | N7 | 7.0° | 0.1° |
| N9 | C4 | C5 | N7 | 5.7° | 0.4° |
| N9 | C4 | C5 | C6 | 172.9° | 179.6° |
| N9 | C4 | C5 | N3 | 179.8° | 179.8° |
| N9 | C4 | N3 | C2 | 162.9° | 180.0° |
| BR8 | C8 | N7 | C5 | 175.9° | 179.7° |
| C8 | N7 | C5 | C6 | 176.8° | 179.5° |
| C8 | N7 | C5 | C4 | 1.6° | 0.5° |
| N7 | C5 | C6 | C4 | 178.3° | 178.9° |
| N7 | C5 | C6 | N6 | 0.0° | 0.8° |
| N7 | C5 | C6 | N1 | 178.6° | 179.5° |
| N7 | C5 | C4 | N3 | 174.4° | 179.8° |
| C5 | C6 | N6 | N1 | 178.6° | 179.6° |
| C5 | C6 | N6 | HN61 | 179.9° | 179.7° |
| C5 | C6 | N6 | HN62 | 54.8° | 0.6° |
| C5 | C6 | N1 | C2 | 4.0° | 0.4° |
| C6 | C5 | C4 | N3 | 6.9° | 0.6° |
| C4 | C5 | C6 | N6 | 178.3° | 179.7° |
| C4 | C5 | C6 | N1 | 0.3° | 0.6° |
| C5 | C4 | N3 | C2 | 16.9° | 0.3° |
| C6 | N6 | HN61 | HN62 | 125.2° | 179.8° |
| N6 | C6 | N1 | C2 | 174.7° | 180.0° |
| N1 | C6 | N6 | HN61 | 1.3° | 0.0° |
| N1 | C6 | N6 | HN62 | 123.9° | 179.8° |
| C6 | N1 | C2 | N3 | 15.2° | 0.0° |
| C6 | N1 | C2 | H2 | 164.8° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 20.7° | 0.0° |
| H2 | C2 | N3 | C4 | 159.2° | 179.9° |
