5BU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.50Å | 1.50Å | |
| P | OP2 | sing | 1.62Å | 1.48Å | |
| P | OP3 | sing | 1.62Å | 72.58Å | |
| P | O5' | sing | 1.62Å | 1.58Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.42Å | |
| C5' | C4' | sing | 1.52Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.12Å | |
| C5' | H5'' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.52Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.51Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.41Å | 1.41Å | |
| C2' | C1' | sing | 1.52Å | 1.53Å | |
| C2' | H2' | sing | 1.10Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N1 | sing | 1.43Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N1 | C2 | sing | 1.41Å | 1.37Å | |
| N1 | C6 | sing | 1.39Å | 1.38Å | |
| C2 | O2 | doub | 1.23Å | 1.22Å | |
| C2 | N3 | sing | 1.40Å | 1.37Å | |
| N3 | C4 | sing | 1.39Å | 1.39Å | |
| N3 | H3 | sing | 1.02Å | 1.02Å | |
| C4 | O4 | doub | 1.23Å | 1.24Å | |
| C4 | C5 | sing | 1.49Å | 1.43Å | |
| C5 | C6 | doub | 1.34Å | 1.32Å | |
| C5 | BR | sing | 1.86Å | 1.88Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.9° | 115.3° |
| OP1 | P | OP3 | 105.5° | 114.9° |
| OP1 | P | O5' | 106.2° | 115.0° |
| OP2 | P | OP3 | 17.2° | 103.3° |
| OP2 | P | O5' | 111.3° | 103.8° |
| P | OP2 | HOP2 | 119.9° | 119.0° |
| OP3 | P | O5' | 110.0° | 102.9° |
| P | OP3 | HOP3 | 105.5° | 119.0° |
| P | O5' | C5' | 120.7° | 118.5° |
| O5' | C5' | C4' | 110.3° | 108.6° |
| O5' | C5' | H5' | 111.9° | 109.2° |
| O5' | C5' | H5'' | 111.9° | 109.3° |
| C4' | C5' | H5' | 111.9° | 110.1° |
| C4' | C5' | H5'' | 111.9° | 110.1° |
| C5' | C4' | O4' | 110.7° | 108.2° |
| C5' | C4' | C3' | 115.9° | 113.3° |
| C5' | C4' | H4' | 102.4° | 109.3° |
| H5' | C5' | H5'' | 98.5° | 109.6° |
| O4' | C4' | C3' | 103.4° | 105.9° |
| O4' | C4' | H4' | 115.1° | 107.7° |
| C4' | O4' | C1' | 109.6° | 109.2° |
| C3' | C4' | H4' | 109.8° | 112.2° |
| C4' | C3' | O3' | 113.0° | 107.9° |
| C4' | C3' | C2' | 101.9° | 102.1° |
| C4' | C3' | H3' | 112.6° | 114.5° |
| O4' | C1' | C2' | 107.1° | 106.5° |
| O4' | C1' | N1 | 108.9° | 109.0° |
| O4' | C1' | H1' | 112.8° | 108.9° |
| O3' | C3' | C2' | 110.8° | 110.3° |
| O3' | C3' | H3' | 104.0° | 107.8° |
| C3' | O3' | HO3' | 113.1° | 106.4° |
| C2' | C3' | H3' | 114.8° | 114.0° |
| C3' | C2' | O2' | 111.8° | 112.3° |
| C3' | C2' | C1' | 101.0° | 102.0° |
| C3' | C2' | H2' | 113.2° | 110.1° |
| O2' | C2' | C1' | 108.7° | 112.6° |
| O2' | C2' | H2' | 106.1° | 108.6° |
| C2' | O2' | HO2' | 111.9° | 107.1° |
| C1' | C2' | H2' | 116.1° | 111.1° |
| C2' | C1' | N1 | 113.4° | 112.5° |
| C2' | C1' | H1' | 108.2° | 112.6° |
| N1 | C1' | H1' | 106.4° | 107.3° |
| C1' | N1 | C2 | 116.8° | 121.3° |
| C1' | N1 | C6 | 121.9° | 118.6° |
| C2 | N1 | C6 | 121.3° | 120.2° |
| N1 | C2 | O2 | 122.2° | 123.7° |
| N1 | C2 | N3 | 115.3° | 115.1° |
| N1 | C6 | C5 | 122.0° | 124.3° |
| N1 | C6 | H6 | 121.3° | 114.6° |
| O2 | C2 | N3 | 122.5° | 121.1° |
| C2 | N3 | C4 | 126.3° | 127.1° |
| C2 | N3 | H3 | 116.1° | 116.5° |
| C4 | N3 | H3 | 117.7° | 116.5° |
| N3 | C4 | O4 | 119.8° | 123.2° |
| N3 | C4 | C5 | 114.4° | 114.5° |
| O4 | C4 | C5 | 125.6° | 122.3° |
| C4 | C5 | C6 | 120.5° | 118.8° |
| C4 | C5 | BR | 119.7° | 118.7° |
| C6 | C5 | BR | 119.7° | 122.5° |
| C5 | C6 | H6 | 116.6° | 121.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 35.8° | 126.2° |
| OP1 | P | OP2 | O5' | 124.7° | 126.6° |
| OP1 | P | OP3 | O5' | 114.1° | 125.8° |
| OP1 | P | OP2 | HOP2 | 180.0° | 48.7° |
| OP1 | P | OP3 | HOP3 | 180.0° | 48.0° |
| OP1 | P | O5' | C5' | 178.5° | 179.9° |
| OP2 | P | OP3 | O5' | 97.6° | 107.7° |
| OP2 | P | OP3 | HOP3 | 31.8° | 78.5° |
| OP2 | P | O5' | C5' | 49.4° | 53.2° |
| OP3 | P | OP2 | HOP2 | 144.2° | 77.5° |
| OP3 | P | O5' | C5' | 67.8° | 54.2° |
| O5' | P | OP2 | HOP2 | 55.3° | 175.4° |
| O5' | P | OP3 | HOP3 | 65.9° | 173.8° |
| P | O5' | C5' | C4' | 168.5° | 180.0° |
| P | O5' | C5' | H5' | 43.2° | 59.9° |
| P | O5' | C5' | H5'' | 66.3° | 59.9° |
| O5' | C5' | C4' | H5' | 125.3° | 119.5° |
| O5' | C5' | C4' | H5'' | 125.3° | 119.6° |
| O5' | C5' | H5' | H5'' | 117.8° | 119.6° |
| O5' | C5' | C4' | O4' | 70.3° | 62.4° |
| O5' | C5' | C4' | C3' | 47.1° | 179.5° |
| O5' | C5' | C4' | H4' | 166.6° | 54.6° |
| C4' | C5' | H5' | H5'' | 117.8° | 121.2° |
| C5' | C4' | O4' | C3' | 124.8° | 121.7° |
| C5' | C4' | O4' | H4' | 115.5° | 118.1° |
| C5' | C4' | C3' | H4' | 115.4° | 124.4° |
| C5' | C4' | O4' | C1' | 145.7° | 109.0° |
| C5' | C4' | C3' | O3' | 82.0° | 156.8° |
| C5' | C4' | C3' | C2' | 159.1° | 86.9° |
| C5' | C4' | C3' | H3' | 35.6° | 36.8° |
| H5' | C5' | C4' | O4' | 164.5° | 57.1° |
| H5' | C5' | C4' | C3' | 78.2° | 60.0° |
| H5' | C5' | C4' | H4' | 41.3° | 174.1° |
| H5'' | C5' | C4' | O4' | 55.0° | 178.0° |
| H5'' | C5' | C4' | C3' | 172.3° | 60.9° |
| H5'' | C5' | C4' | H4' | 68.2° | 65.0° |
| O4' | C4' | C3' | H4' | 123.3° | 117.2° |
| O4' | C4' | C3' | O3' | 156.7° | 84.7° |
| O4' | C4' | C3' | C2' | 37.8° | 31.5° |
| O4' | C4' | C3' | H3' | 85.7° | 155.2° |
| C4' | O4' | C1' | C2' | 4.4° | 11.3° |
| C4' | O4' | C1' | N1 | 118.6° | 132.9° |
| C4' | O4' | C1' | H1' | 123.4° | 110.3° |
| C3' | C4' | O4' | C1' | 20.9° | 12.8° |
| C4' | C3' | O3' | C2' | 113.7° | 110.7° |
| C4' | C3' | O3' | H3' | 122.5° | 124.2° |
| C4' | C3' | C2' | H3' | 122.1° | 124.0° |
| C4' | C3' | O3' | HO3' | 180.0° | 15.2° |
| C4' | C3' | C2' | O2' | 76.0° | 158.0° |
| C4' | C3' | C2' | C1' | 39.4° | 37.1° |
| C4' | C3' | C2' | H2' | 164.3° | 80.9° |
| H4' | C4' | O4' | C1' | 98.8° | 133.0° |
| H4' | C4' | C3' | O3' | 33.4° | 32.5° |
| H4' | C4' | C3' | C2' | 85.5° | 148.7° |
| H4' | C4' | C3' | H3' | 151.0° | 87.6° |
| O4' | C1' | C2' | C3' | 27.9° | 30.7° |
| O4' | C1' | C2' | O2' | 89.9° | 151.3° |
| O4' | C1' | C2' | N1 | 120.2° | 119.3° |
| O4' | C1' | C2' | H1' | 121.9° | 119.3° |
| O4' | C1' | C2' | H2' | 150.7° | 86.6° |
| O4' | C1' | N1 | H1' | 121.9° | 117.7° |
| O4' | C1' | N1 | C2 | 152.3° | 147.7° |
| O4' | C1' | N1 | C6 | 26.5° | 32.2° |
| O3' | C3' | C2' | H3' | 117.4° | 121.5° |
| O3' | C3' | C2' | O2' | 44.5° | 43.5° |
| O3' | C3' | C2' | C1' | 159.9° | 77.4° |
| O3' | C3' | C2' | H2' | 75.2° | 164.6° |
| C2' | C3' | O3' | HO3' | 66.3° | 95.6° |
| C3' | C2' | O2' | C1' | 110.7° | 114.5° |
| C3' | C2' | O2' | H2' | 123.8° | 122.0° |
| C3' | C2' | C1' | H2' | 122.8° | 117.3° |
| C3' | C2' | O2' | HO2' | 180.0° | 168.8° |
| C3' | C2' | C1' | N1 | 92.4° | 150.0° |
| C3' | C2' | C1' | H1' | 149.8° | 88.5° |
| H3' | C3' | O3' | HO3' | 57.5° | 139.4° |
| H3' | C3' | C2' | O2' | 161.9° | 78.0° |
| H3' | C3' | C2' | C1' | 82.6° | 161.1° |
| H3' | C3' | C2' | H2' | 42.2° | 43.1° |
| O2' | C2' | C1' | H2' | 119.4° | 122.1° |
| O2' | C2' | C1' | N1 | 149.9° | 89.4° |
| O2' | C2' | C1' | H1' | 32.0° | 32.1° |
| C1' | C2' | O2' | HO2' | 69.3° | 54.3° |
| C2' | C1' | N1 | H1' | 118.9° | 124.4° |
| C2' | C1' | N1 | C2 | 88.5° | 94.4° |
| C2' | C1' | N1 | C6 | 92.7° | 85.7° |
| H2' | C2' | O2' | HO2' | 56.2° | 69.2° |
| H2' | C2' | C1' | N1 | 30.5° | 32.7° |
| H2' | C2' | C1' | H1' | 87.4° | 154.2° |
| C1' | N1 | C2 | C6 | 178.8° | 180.0° |
| C1' | N1 | C2 | O2 | 5.4° | 0.1° |
| C1' | N1 | C2 | N3 | 175.5° | 180.0° |
| C1' | N1 | C6 | C5 | 176.4° | 180.0° |
| C1' | N1 | C6 | H6 | 3.6° | 0.1° |
| H1' | C1' | N1 | C2 | 30.4° | 30.0° |
| H1' | C1' | N1 | C6 | 148.4° | 150.0° |
| N1 | C2 | O2 | N3 | 179.0° | 179.9° |
| N1 | C2 | N3 | C4 | 1.7° | 0.0° |
| N1 | C2 | N3 | H3 | 178.3° | 180.0° |
| C2 | N1 | C6 | C5 | 2.4° | 0.1° |
| C2 | N1 | C6 | H6 | 177.6° | 180.0° |
| C6 | N1 | C2 | O2 | 175.8° | 179.9° |
| C6 | N1 | C2 | N3 | 3.3° | 0.0° |
| N1 | C6 | C5 | C4 | 0.5° | 0.1° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | BR | 179.3° | 180.0° |
| O2 | C2 | N3 | C4 | 177.4° | 179.9° |
| O2 | C2 | N3 | H3 | 2.6° | 0.1° |
| C2 | N3 | C4 | H3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 175.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.9° | 0.0° |
| N3 | C4 | O4 | C5 | 176.4° | 180.0° |
| N3 | C4 | C5 | C6 | 2.0° | 0.0° |
| N3 | C4 | C5 | BR | 177.8° | 180.0° |
| H3 | N3 | C4 | O4 | 4.1° | 0.0° |
| H3 | N3 | C4 | C5 | 179.1° | 180.0° |
| O4 | C4 | C5 | C6 | 174.5° | 180.0° |
| O4 | C4 | C5 | BR | 5.7° | 0.0° |
| C4 | C5 | C6 | BR | 179.8° | 180.0° |
| C4 | C5 | C6 | H6 | 179.5° | 179.9° |
| BR | C5 | C6 | H6 | 0.7° | 0.1° |
