BRU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | |
| N1 | C1' | sing | 1.46Å | 1.47Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.42Å | 1.46Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C5 | C6 | doub | 1.35Å | 1.34Å | |
| C5 | BR | sing | 1.89Å | 2.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| C2' | H2'' | sing | 1.09Å | 1.11Å | |
| C3' | C4' | sing | 1.55Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | H5' | sing | 1.09Å | 1.12Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| P | OP1 | doub | 1.48Å | 1.50Å | |
| P | OP2 | sing | 1.61Å | 1.50Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| OP2 | HOP2 | 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) |
| C2 | N1 | C6 | 121.5° | 120.6° |
| C2 | N1 | C1' | 117.2° | 119.7° |
| N1 | C2 | N3 | 114.6° | 121.0° |
| N1 | C2 | O2 | 123.1° | 119.6° |
| C6 | N1 | C1' | 121.3° | 119.7° |
| N1 | C6 | C5 | 123.3° | 119.7° |
| N1 | C6 | H6 | 119.9° | 120.2° |
| N1 | C1' | C2' | 116.1° | 110.4° |
| N1 | C1' | O4' | 107.8° | 110.4° |
| N1 | C1' | H1' | 104.9° | 110.3° |
| N3 | C2 | O2 | 122.3° | 119.4° |
| C2 | N3 | C4 | 127.3° | 120.2° |
| C2 | N3 | HN3 | 116.0° | 119.9° |
| C4 | N3 | HN3 | 116.7° | 119.9° |
| N3 | C4 | C5 | 115.3° | 119.4° |
| N3 | C4 | O4 | 119.6° | 120.3° |
| C5 | C4 | O4 | 125.0° | 120.3° |
| C4 | C5 | C6 | 117.8° | 119.1° |
| C4 | C5 | BR | 119.1° | 120.4° |
| C6 | C5 | BR | 123.1° | 120.5° |
| C5 | C6 | H6 | 116.8° | 120.1° |
| C2' | C1' | O4' | 105.4° | 104.8° |
| C2' | C1' | H1' | 107.4° | 110.4° |
| C1' | C2' | C3' | 101.0° | 104.1° |
| C1' | C2' | H2' | 115.4° | 110.6° |
| C1' | C2' | H2'' | 115.4° | 110.6° |
| O4' | C1' | H1' | 115.6° | 110.4° |
| C1' | O4' | C4' | 109.3° | 105.3° |
| C3' | C2' | H2' | 115.4° | 110.4° |
| C3' | C2' | H2'' | 115.5° | 110.4° |
| C2' | C3' | C4' | 103.4° | 104.1° |
| C2' | C3' | O3' | 110.7° | 110.5° |
| C2' | C3' | H3' | 112.1° | 110.5° |
| H2' | C2' | H2'' | 95.0° | 110.6° |
| C4' | C3' | O3' | 107.9° | 110.5° |
| C4' | C3' | H3' | 114.7° | 110.5° |
| C3' | C4' | O4' | 106.1° | 104.7° |
| C3' | C4' | C5' | 112.4° | 110.6° |
| C3' | C4' | H4' | 110.2° | 110.3° |
| O3' | C3' | H3' | 108.0° | 110.5° |
| C3' | O3' | HO3' | 110.7° | 106.8° |
| O4' | C4' | C5' | 110.5° | 110.4° |
| O4' | C4' | H4' | 112.0° | 110.4° |
| C5' | C4' | H4' | 105.7° | 110.4° |
| C4' | C5' | O5' | 109.4° | 109.4° |
| C4' | C5' | H5' | 112.2° | 109.5° |
| C4' | C5' | H5'' | 112.2° | 109.5° |
| O5' | C5' | H5' | 112.3° | 109.4° |
| O5' | C5' | H5'' | 112.2° | 109.4° |
| C5' | O5' | P | 119.8° | 106.8° |
| H5' | C5' | H5'' | 98.2° | 109.5° |
| O5' | P | OP1 | 107.4° | 109.5° |
| O5' | P | OP2 | 109.2° | 109.5° |
| O5' | P | OP3 | 101.8° | 109.5° |
| OP1 | P | OP2 | 120.2° | 109.5° |
| OP1 | P | OP3 | 106.7° | 109.4° |
| OP2 | P | OP3 | 110.0° | 109.5° |
| P | OP2 | HOP2 | 109.2° | 106.7° |
| P | OP3 | HOP3 | 101.8° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 178.7° | 179.8° |
| N1 | C2 | N3 | O2 | 179.6° | 179.5° |
| N1 | C2 | N3 | C4 | 0.0° | 0.5° |
| N1 | C2 | N3 | HN3 | 180.0° | 179.8° |
| C2 | N1 | C6 | C5 | 2.4° | 0.3° |
| C2 | N1 | C6 | H6 | 177.6° | 179.8° |
| C2 | N1 | C1' | C2' | 134.3° | 60.3° |
| C2 | N1 | C1' | O4' | 107.7° | 55.2° |
| C2 | N1 | C1' | H1' | 16.0° | 177.5° |
| C6 | N1 | C2 | N3 | 1.9° | 0.5° |
| C6 | N1 | C2 | O2 | 177.7° | 180.0° |
| N1 | C6 | C5 | C4 | 0.9° | 0.1° |
| N1 | C6 | C5 | H6 | 180.0° | 179.8° |
| N1 | C6 | C5 | BR | 178.5° | 180.0° |
| C6 | N1 | C1' | C2' | 46.9° | 120.0° |
| C6 | N1 | C1' | O4' | 71.1° | 124.6° |
| C6 | N1 | C1' | H1' | 165.2° | 2.3° |
| C1' | N1 | C2 | N3 | 176.9° | 179.7° |
| C1' | N1 | C2 | O2 | 3.5° | 0.2° |
| C1' | N1 | C6 | C5 | 176.3° | 179.9° |
| C1' | N1 | C6 | H6 | 3.6° | 0.1° |
| N1 | C1' | C2' | O4' | 119.2° | 118.9° |
| N1 | C1' | C2' | H1' | 117.0° | 122.2° |
| N1 | C1' | O4' | H1' | 117.0° | 122.3° |
| N1 | C1' | C2' | C3' | 157.0° | 142.9° |
| N1 | C1' | C2' | H2' | 77.8° | 24.4° |
| N1 | C1' | C2' | H2'' | 31.8° | 98.5° |
| N1 | C1' | O4' | C4' | 150.8° | 159.3° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.7° |
| C2 | N3 | C4 | C5 | 1.4° | 0.4° |
| C2 | N3 | C4 | O4 | 177.2° | 179.7° |
| O2 | C2 | N3 | C4 | 179.6° | 180.0° |
| O2 | C2 | N3 | HN3 | 0.4° | 0.2° |
| N3 | C4 | C5 | O4 | 178.5° | 179.9° |
| N3 | C4 | C5 | C6 | 0.9° | 0.2° |
| N3 | C4 | C5 | BR | 179.7° | 180.0° |
| HN3 | N3 | C4 | C5 | 178.7° | 179.9° |
| HN3 | N3 | C4 | O4 | 2.8° | 0.0° |
| C4 | C5 | C6 | BR | 179.5° | 179.8° |
| C4 | C5 | C6 | H6 | 179.1° | 180.0° |
| O4 | C4 | C5 | C6 | 177.6° | 179.9° |
| O4 | C4 | C5 | BR | 1.9° | 0.1° |
| BR | C5 | C6 | H6 | 1.4° | 0.2° |
| C2' | C1' | O4' | H1' | 118.4° | 118.9° |
| C1' | C2' | C3' | H2' | 125.2° | 118.6° |
| C1' | C2' | C3' | H2'' | 125.3° | 118.7° |
| C1' | C2' | H2' | H2'' | 121.3° | 122.9° |
| C1' | C2' | C3' | C4' | 34.7° | 0.1° |
| C1' | C2' | C3' | O3' | 80.6° | 118.6° |
| C1' | C2' | C3' | H3' | 158.8° | 118.7° |
| C2' | C1' | O4' | C4' | 26.2° | 40.5° |
| O4' | C1' | C2' | C3' | 37.8° | 24.0° |
| O4' | C1' | C2' | H2' | 163.0° | 94.5° |
| O4' | C1' | C2' | H2'' | 87.5° | 142.6° |
| C1' | O4' | C4' | C3' | 3.3° | 40.4° |
| C1' | O4' | C4' | C5' | 125.5° | 159.4° |
| C1' | O4' | C4' | H4' | 116.9° | 78.3° |
| H1' | C1' | C2' | C3' | 86.0° | 94.9° |
| H1' | C1' | C2' | H2' | 39.2° | 146.6° |
| H1' | C1' | C2' | H2'' | 148.7° | 23.7° |
| H1' | C1' | O4' | C4' | 92.2° | 78.4° |
| C3' | C2' | H2' | H2'' | 121.3° | 122.5° |
| C2' | C3' | C4' | O3' | 117.3° | 118.7° |
| C2' | C3' | C4' | H3' | 122.4° | 118.7° |
| C2' | C3' | O3' | H3' | 123.1° | 122.7° |
| C2' | C3' | C4' | O4' | 20.5° | 23.8° |
| C2' | C3' | C4' | C5' | 100.4° | 142.7° |
| C2' | C3' | C4' | H4' | 142.0° | 94.9° |
| C2' | C3' | O3' | HO3' | 179.9° | 63.4° |
| H2' | C2' | C3' | C4' | 159.9° | 118.6° |
| H2' | C2' | C3' | O3' | 44.6° | 122.7° |
| H2' | C2' | C3' | H3' | 76.0° | 0.1° |
| H2'' | C2' | C3' | C4' | 90.6° | 118.8° |
| H2'' | C2' | C3' | O3' | 154.1° | 0.1° |
| H2'' | C2' | C3' | H3' | 33.5° | 122.5° |
| C4' | C3' | O3' | H3' | 124.5° | 122.6° |
| C3' | C4' | O4' | C5' | 122.1° | 119.1° |
| C3' | C4' | O4' | H4' | 120.3° | 118.7° |
| C3' | C4' | C5' | H4' | 120.2° | 122.3° |
| C4' | C3' | O3' | HO3' | 67.5° | 178.1° |
| C3' | C4' | C5' | O5' | 38.8° | 176.9° |
| C3' | C4' | C5' | H5' | 164.1° | 63.1° |
| C3' | C4' | C5' | H5'' | 86.5° | 57.0° |
| O3' | C3' | C4' | O4' | 96.8° | 142.5° |
| O3' | C3' | C4' | C5' | 142.3° | 98.6° |
| O3' | C3' | C4' | H4' | 24.7° | 23.8° |
| H3' | C3' | C4' | O4' | 142.9° | 94.9° |
| H3' | C3' | C4' | C5' | 22.0° | 24.1° |
| H3' | C3' | C4' | H4' | 95.6° | 146.4° |
| H3' | C3' | O3' | HO3' | 57.0° | 59.3° |
| O4' | C4' | C5' | H4' | 121.4° | 122.3° |
| O4' | C4' | C5' | O5' | 79.5° | 61.5° |
| O4' | C4' | C5' | H5' | 45.8° | 178.5° |
| O4' | C4' | C5' | H5'' | 155.2° | 58.5° |
| C4' | C5' | O5' | H5' | 125.2° | 120.0° |
| C4' | C5' | O5' | H5'' | 125.2° | 120.0° |
| C4' | C5' | H5' | H5'' | 118.1° | 120.1° |
| C4' | C5' | O5' | P | 171.5° | 180.0° |
| H4' | C4' | C5' | O5' | 159.1° | 60.8° |
| H4' | C4' | C5' | H5' | 75.7° | 59.2° |
| H4' | C4' | C5' | H5'' | 33.8° | 179.3° |
| O5' | C5' | H5' | H5'' | 118.2° | 120.0° |
| C5' | O5' | P | OP1 | 59.0° | 60.0° |
| C5' | O5' | P | OP2 | 169.2° | 180.0° |
| C5' | O5' | P | OP3 | 52.9° | 60.0° |
| H5' | C5' | O5' | P | 63.2° | 60.0° |
| H5'' | C5' | O5' | P | 46.3° | 60.0° |
| O5' | P | OP1 | OP2 | 125.5° | 120.0° |
| O5' | P | OP1 | OP3 | 108.5° | 120.0° |
| O5' | P | OP2 | OP3 | 110.9° | 120.0° |
| O5' | P | OP2 | HOP2 | 180.0° | 180.0° |
| O5' | P | OP3 | HOP3 | 180.0° | 60.1° |
| OP1 | P | OP2 | OP3 | 124.4° | 120.0° |
| OP1 | P | OP2 | HOP2 | 55.3° | 60.0° |
| OP1 | P | OP3 | HOP3 | 67.5° | 179.9° |
| OP2 | P | OP3 | HOP3 | 64.3° | 59.9° |
| OP3 | P | OP2 | HOP2 | 69.1° | 60.0° |
