CBV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3P | P | sing | 1.61Å | 1.61Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| P | O1P | sing | 1.61Å | 1.48Å | |
| P | O2P | doub | 1.48Å | 1.49Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.39Å | |
| C3' | C2' | sing | 1.55Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N1 | sing | 1.46Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.35Å | 1.41Å | |
| N1 | C6 | sing | 1.36Å | 1.36Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.33Å | 1.34Å | |
| N3 | C4 | doub | 1.33Å | 1.33Å | |
| C4 | N4 | sing | 1.38Å | 1.32Å | |
| C4 | C5 | sing | 1.41Å | 1.43Å | |
| N4 | HN41 | sing | 0.97Å | 1.00Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | doub | 1.35Å | 1.33Å | |
| C5 | BR | sing | 1.89Å | 1.87Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O3P | HO3P | 109.5° | 106.8° |
| O3P | P | O1P | 107.5° | 109.5° |
| O3P | P | O2P | 109.5° | 109.5° |
| O3P | P | O5' | 103.1° | 109.5° |
| O1P | P | O2P | 118.7° | 109.5° |
| O1P | P | O5' | 107.0° | 109.5° |
| P | O1P | HO1P | 109.5° | 106.8° |
| O2P | P | O5' | 109.8° | 109.5° |
| P | O5' | C5' | 119.8° | 106.8° |
| O5' | C5' | C4' | 110.8° | 109.5° |
| O5' | C5' | H5'1 | 109.0° | 109.5° |
| O5' | C5' | H5'2 | 108.7° | 109.5° |
| C4' | C5' | H5'1 | 109.0° | 109.4° |
| C4' | C5' | H5'2 | 108.7° | 109.4° |
| C5' | C4' | O4' | 109.8° | 110.3° |
| C5' | C4' | C3' | 117.4° | 110.5° |
| C5' | C4' | H4' | 102.0° | 110.3° |
| H5'1 | C5' | H5'2 | 110.5° | 109.5° |
| O4' | C4' | C3' | 103.5° | 104.8° |
| O4' | C4' | H4' | 116.3° | 110.3° |
| C4' | O4' | C1' | 109.6° | 105.3° |
| C3' | C4' | H4' | 108.4° | 110.4° |
| C4' | C3' | O3' | 112.6° | 110.5° |
| C4' | C3' | C2' | 101.7° | 104.1° |
| C4' | C3' | H3' | 113.5° | 110.5° |
| O4' | C1' | C2' | 107.1° | 104.9° |
| O4' | C1' | N1 | 108.2° | 110.4° |
| O4' | C1' | H1' | 113.2° | 110.4° |
| O3' | C3' | C2' | 112.2° | 110.6° |
| O3' | C3' | H3' | 103.2° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 106.8° |
| C2' | C3' | H3' | 113.9° | 110.6° |
| C3' | C2' | O2' | 108.7° | 110.5° |
| C3' | C2' | C1' | 100.8° | 104.0° |
| C3' | C2' | H2' | 115.0° | 110.5° |
| O2' | C2' | C1' | 108.1° | 110.8° |
| O2' | C2' | H2' | 108.4° | 110.5° |
| C2' | O2' | HO2' | 109.5° | 106.8° |
| C1' | C2' | H2' | 115.5° | 110.4° |
| C2' | C1' | N1 | 113.1° | 110.4° |
| C2' | C1' | H1' | 108.2° | 110.4° |
| N1 | C1' | H1' | 107.1° | 110.3° |
| C1' | N1 | C2 | 119.2° | 119.8° |
| C1' | N1 | C6 | 120.4° | 119.9° |
| C2 | N1 | C6 | 120.4° | 120.3° |
| N1 | C2 | O2 | 119.8° | 119.4° |
| N1 | C2 | N3 | 119.0° | 121.1° |
| N1 | C6 | C5 | 120.6° | 119.3° |
| N1 | C6 | H6 | 119.7° | 120.4° |
| O2 | C2 | N3 | 121.2° | 119.5° |
| C2 | N3 | C4 | 120.1° | 120.7° |
| N3 | C4 | N4 | 117.3° | 120.2° |
| N3 | C4 | C5 | 122.1° | 119.6° |
| N4 | C4 | C5 | 120.6° | 120.2° |
| C4 | N4 | HN41 | 109.6° | 120.0° |
| C4 | N4 | HN42 | 125.2° | 120.0° |
| C4 | C5 | C6 | 117.8° | 119.0° |
| C4 | C5 | BR | 120.7° | 120.5° |
| HN41 | N4 | HN42 | 125.2° | 120.0° |
| C6 | C5 | BR | 121.4° | 120.5° |
| C5 | C6 | H6 | 119.7° | 120.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O1P | O2P | 125.0° | 120.0° |
| O3P | P | O1P | O5' | 110.2° | 120.0° |
| O3P | P | O2P | O5' | 112.5° | 120.0° |
| O3P | P | O1P | HO1P | 119.9° | 60.0° |
| O3P | P | O5' | C5' | 67.0° | 65.0° |
| HO3P | O3P | P | O1P | 61.7° | 60.0° |
| HO3P | O3P | P | O2P | 68.6° | 180.0° |
| HO3P | O3P | P | O5' | 174.6° | 60.0° |
| O1P | P | O2P | O5' | 123.5° | 120.0° |
| O1P | P | O5' | C5' | 46.2° | 175.0° |
| O2P | P | O1P | HO1P | 5.1° | 60.0° |
| O2P | P | O5' | C5' | 176.3° | 55.0° |
| O5' | P | O1P | HO1P | 129.9° | 180.0° |
| P | O5' | C5' | C4' | 169.0° | 180.0° |
| P | O5' | C5' | H5'1 | 49.0° | 60.0° |
| P | O5' | C5' | H5'2 | 71.6° | 60.0° |
| O5' | C5' | C4' | H5'1 | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'2 | 119.5° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 119.5° | 120.1° |
| O5' | C5' | C4' | O4' | 67.8° | 66.4° |
| O5' | C5' | C4' | C3' | 50.0° | 178.1° |
| O5' | C5' | C4' | H4' | 168.3° | 55.8° |
| C4' | C5' | H5'1 | H5'2 | 119.4° | 119.9° |
| C5' | C4' | O4' | C3' | 126.1° | 119.0° |
| C5' | C4' | O4' | H4' | 115.1° | 122.2° |
| C5' | C4' | C3' | H4' | 114.9° | 122.3° |
| C5' | C4' | O4' | C1' | 147.6° | 159.5° |
| C5' | C4' | C3' | O3' | 80.1° | 98.4° |
| C5' | C4' | C3' | C2' | 159.6° | 142.9° |
| C5' | C4' | C3' | H3' | 36.8° | 24.2° |
| H5'1 | C5' | C4' | O4' | 172.2° | 173.6° |
| H5'1 | C5' | C4' | C3' | 70.0° | 58.1° |
| H5'1 | C5' | C4' | H4' | 48.4° | 64.2° |
| H5'2 | C5' | C4' | O4' | 51.7° | 53.6° |
| H5'2 | C5' | C4' | C3' | 169.4° | 61.9° |
| H5'2 | C5' | C4' | H4' | 72.2° | 175.8° |
| O4' | C4' | C3' | H4' | 124.0° | 118.8° |
| O4' | C4' | C3' | O3' | 158.8° | 142.8° |
| O4' | C4' | C3' | C2' | 38.5° | 24.1° |
| O4' | C4' | C3' | H3' | 84.3° | 94.7° |
| C4' | O4' | C1' | C2' | 4.0° | 40.4° |
| C4' | O4' | C1' | N1 | 118.2° | 159.3° |
| C4' | O4' | C1' | H1' | 123.2° | 78.4° |
| C3' | C4' | O4' | C1' | 21.5° | 40.5° |
| C4' | C3' | O3' | C2' | 114.1° | 114.7° |
| C4' | C3' | O3' | H3' | 122.8° | 122.6° |
| C4' | C3' | C2' | H3' | 122.5° | 118.7° |
| C4' | C3' | O3' | HO3' | 126.0° | 180.0° |
| C4' | C3' | C2' | O2' | 73.8° | 118.8° |
| C4' | C3' | C2' | C1' | 39.7° | 0.1° |
| C4' | C3' | C2' | H2' | 164.5° | 118.6° |
| H4' | C4' | O4' | C1' | 97.3° | 78.3° |
| H4' | C4' | C3' | O3' | 34.8° | 24.0° |
| H4' | C4' | C3' | C2' | 85.6° | 94.7° |
| H4' | C4' | C3' | H3' | 151.6° | 146.5° |
| O4' | C1' | C2' | C3' | 27.9° | 23.8° |
| O4' | C1' | C2' | O2' | 85.9° | 142.6° |
| O4' | C1' | C2' | N1 | 119.1° | 118.9° |
| O4' | C1' | C2' | H1' | 122.3° | 118.9° |
| O4' | C1' | C2' | H2' | 152.5° | 94.7° |
| O4' | C1' | N1 | H1' | 122.3° | 122.3° |
| O4' | C1' | N1 | C2 | 149.9° | 52.0° |
| O4' | C1' | N1 | C6 | 28.4° | 128.0° |
| O3' | C3' | C2' | H3' | 116.9° | 122.7° |
| O3' | C3' | C2' | O2' | 46.8° | 0.1° |
| O3' | C3' | C2' | C1' | 160.3° | 118.8° |
| O3' | C3' | C2' | H2' | 74.9° | 122.7° |
| C2' | C3' | O3' | HO3' | 120.0° | 65.3° |
| C3' | C2' | O2' | C1' | 108.5° | 114.7° |
| C3' | C2' | O2' | H2' | 125.6° | 122.6° |
| C3' | C2' | C1' | H2' | 124.5° | 118.6° |
| C3' | C2' | O2' | HO2' | 48.7° | 61.4° |
| C3' | C2' | C1' | N1 | 91.1° | 142.8° |
| C3' | C2' | C1' | H1' | 150.3° | 95.0° |
| H3' | C3' | O3' | HO3' | 3.1° | 57.4° |
| H3' | C3' | C2' | O2' | 163.7° | 122.5° |
| H3' | C3' | C2' | C1' | 82.9° | 118.5° |
| H3' | C3' | C2' | H2' | 42.0° | 0.0° |
| O2' | C2' | C1' | H2' | 121.6° | 122.7° |
| O2' | C2' | C1' | N1 | 155.0° | 98.5° |
| O2' | C2' | C1' | H1' | 36.4° | 23.7° |
| C1' | C2' | O2' | HO2' | 157.2° | 176.1° |
| C2' | C1' | N1 | H1' | 119.2° | 122.2° |
| C2' | C1' | N1 | C2 | 91.7° | 63.5° |
| C2' | C1' | N1 | C6 | 90.0° | 116.5° |
| H2' | C2' | O2' | HO2' | 76.9° | 61.1° |
| H2' | C2' | C1' | N1 | 33.4° | 24.2° |
| H2' | C2' | C1' | H1' | 85.2° | 146.4° |
| C1' | N1 | C2 | C6 | 178.3° | 180.0° |
| C1' | N1 | C2 | O2 | 4.1° | 0.0° |
| C1' | N1 | C2 | N3 | 175.7° | 180.0° |
| C1' | N1 | C6 | C5 | 175.7° | 179.7° |
| C1' | N1 | C6 | H6 | 4.3° | 0.1° |
| H1' | C1' | N1 | C2 | 27.5° | 174.3° |
| H1' | C1' | N1 | C6 | 150.8° | 5.7° |
| N1 | C2 | O2 | N3 | 179.8° | 180.0° |
| N1 | C2 | N3 | C4 | 0.5° | 0.0° |
| C2 | N1 | C6 | C5 | 2.6° | 0.3° |
| C2 | N1 | C6 | H6 | 177.4° | 179.9° |
| C6 | N1 | C2 | O2 | 177.6° | 180.0° |
| C6 | N1 | C2 | N3 | 2.6° | 0.0° |
| N1 | C6 | C5 | C4 | 0.4° | 0.7° |
| N1 | C6 | C5 | H6 | 180.0° | 179.6° |
| N1 | C6 | C5 | BR | 176.0° | 180.0° |
| O2 | C2 | N3 | C4 | 179.7° | 180.0° |
| C2 | N3 | C4 | N4 | 177.7° | 180.0° |
| C2 | N3 | C4 | C5 | 1.7° | 0.3° |
| N3 | C4 | N4 | C5 | 179.4° | 179.6° |
| N3 | C4 | N4 | HN41 | 0.6° | 0.1° |
| N3 | C4 | N4 | HN42 | 179.4° | 179.7° |
| N3 | C4 | C5 | C6 | 1.8° | 0.7° |
| N3 | C4 | C5 | BR | 178.2° | 180.0° |
| C4 | N4 | HN41 | HN42 | 180.0° | 179.6° |
| N4 | C4 | C5 | C6 | 177.6° | 179.7° |
| N4 | C4 | C5 | BR | 1.1° | 0.4° |
| C5 | C4 | N4 | HN41 | 180.0° | 179.7° |
| C5 | C4 | N4 | HN42 | 0.0° | 0.7° |
| C4 | C5 | C6 | BR | 176.4° | 179.3° |
| C4 | C5 | C6 | H6 | 179.6° | 179.7° |
| BR | C5 | C6 | H6 | 4.0° | 0.4° |
