B5F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | C1 | sing | 1.48Å | 1.41Å | |
| C1 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| O2 | C2 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| P2 | O2 | sing | 1.61Å | 1.64Å | |
| O21 | P2 | doub | 1.48Å | 1.60Å | |
| P2 | O23 | sing | 1.61Å | 1.48Å | |
| P2 | O22 | sing | 1.61Å | 1.61Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | O4 | sing | 1.36Å | 1.37Å | |
| O4 | P4 | sing | 1.61Å | 1.62Å | |
| O42 | P4 | doub | 1.48Å | 1.48Å | |
| P4 | O43 | sing | 1.61Å | 1.61Å | |
| P4 | O41 | sing | 1.61Å | 1.61Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | O6 | sing | 1.36Å | 1.37Å | |
| O6 | P6 | sing | 1.61Å | 1.62Å | |
| O63 | P6 | doub | 1.48Å | 1.48Å | |
| O61 | P6 | sing | 1.61Å | 1.61Å | |
| P6 | O62 | sing | 1.61Å | 1.61Å | |
| C6' | C1' | doub | 1.39Å | 1.41Å | Aromatic |
| C2' | C1' | sing | 1.39Å | 1.40Å | Aromatic |
| C3' | C2' | doub | 1.39Å | 1.40Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.39Å | 1.41Å | Aromatic |
| O3' | C3' | sing | 1.36Å | 1.38Å | |
| P3' | O3' | sing | 1.61Å | 1.63Å | |
| O32 | P3' | doub | 1.48Å | 1.61Å | |
| O31 | P3' | sing | 1.61Å | 1.48Å | |
| P3' | O33 | sing | 1.61Å | 1.61Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| C4' | C5' | doub | 1.39Å | 1.40Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| O43 | HO43 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.36Å | 1.37Å | |
| C5' | C6' | sing | 1.39Å | 1.40Å | Aromatic |
| O5' | P5' | sing | 1.61Å | 1.63Å | |
| O51 | P5' | doub | 1.48Å | 1.61Å | |
| P5' | O53 | sing | 1.61Å | 1.48Å | |
| P5' | O52 | sing | 1.61Å | 1.61Å | |
| O52 | HO52 | sing | 0.97Å | 0.95Å | |
| O53 | HO53 | sing | 0.97Å | 0.95Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| O61 | HO61 | sing | 0.97Å | 0.95Å | |
| O62 | HO62 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1' | C1 | C2 | 120.5° | 120.1° |
| C1' | C1 | C6 | 119.7° | 120.1° |
| C1 | C1' | C6' | 119.9° | 120.1° |
| C1 | C1' | C2' | 121.5° | 120.1° |
| C2 | C1 | C6 | 119.4° | 119.7° |
| C1 | C2 | O2 | 119.3° | 120.1° |
| C1 | C2 | C3 | 119.1° | 119.9° |
| C1 | C6 | C5 | 119.8° | 119.9° |
| C1 | C6 | O6 | 119.7° | 120.1° |
| O2 | C2 | C3 | 121.4° | 120.0° |
| C2 | O2 | P2 | 120.7° | 114.0° |
| C2 | C3 | C4 | 121.3° | 120.1° |
| C2 | C3 | H3 | 119.3° | 119.9° |
| O2 | P2 | O21 | 103.5° | 109.5° |
| O2 | P2 | O23 | 115.3° | 109.5° |
| O2 | P2 | O22 | 107.6° | 109.5° |
| O21 | P2 | O23 | 110.7° | 109.5° |
| O21 | P2 | O22 | 105.3° | 109.5° |
| O23 | P2 | O22 | 113.5° | 109.5° |
| P2 | O23 | HO23 | 109.5° | 114.0° |
| P2 | O22 | HO22 | 109.5° | 114.0° |
| C4 | C3 | H3 | 119.3° | 120.0° |
| C3 | C4 | C5 | 119.2° | 120.3° |
| C3 | C4 | O4 | 119.3° | 119.9° |
| C5 | C4 | O4 | 121.3° | 119.8° |
| C4 | C5 | C6 | 120.9° | 120.1° |
| C4 | C5 | H5 | 119.5° | 120.0° |
| C4 | O4 | P4 | 114.4° | 114.0° |
| O4 | P4 | O42 | 113.5° | 109.5° |
| O4 | P4 | O43 | 106.1° | 109.5° |
| O4 | P4 | O41 | 105.5° | 109.4° |
| O42 | P4 | O43 | 113.1° | 109.5° |
| O42 | P4 | O41 | 112.5° | 109.5° |
| O43 | P4 | O41 | 105.6° | 109.5° |
| P4 | O43 | HO43 | 109.5° | 114.0° |
| P4 | O41 | HO41 | 109.5° | 114.0° |
| C6 | C5 | H5 | 119.6° | 120.0° |
| C5 | C6 | O6 | 120.0° | 120.0° |
| C6 | O6 | P6 | 119.0° | 114.0° |
| O6 | P6 | O63 | 112.0° | 109.5° |
| O6 | P6 | O61 | 108.8° | 109.5° |
| O6 | P6 | O62 | 105.1° | 109.5° |
| O63 | P6 | O61 | 112.0° | 109.5° |
| O63 | P6 | O62 | 110.5° | 109.5° |
| O61 | P6 | O62 | 108.2° | 109.5° |
| P6 | O61 | HO61 | 109.5° | 114.0° |
| P6 | O62 | HO62 | 109.5° | 114.0° |
| C6' | C1' | C2' | 118.6° | 119.9° |
| C1' | C6' | C5' | 121.1° | 119.9° |
| C1' | C6' | H6' | 119.5° | 120.0° |
| C1' | C2' | C3' | 121.2° | 119.9° |
| C1' | C2' | H2' | 119.4° | 120.1° |
| C3' | C2' | H2' | 119.4° | 120.0° |
| C2' | C3' | C4' | 118.9° | 120.1° |
| C2' | C3' | O3' | 116.5° | 119.9° |
| C4' | C3' | O3' | 124.4° | 120.0° |
| C3' | C4' | C5' | 120.8° | 120.2° |
| C3' | C4' | H4' | 119.6° | 119.9° |
| C3' | O3' | P3' | 120.2° | 114.0° |
| O3' | P3' | O32 | 107.4° | 109.5° |
| O3' | P3' | O31 | 111.4° | 109.5° |
| O3' | P3' | O33 | 107.6° | 109.5° |
| O32 | P3' | O31 | 110.1° | 109.5° |
| O32 | P3' | O33 | 107.1° | 109.5° |
| O31 | P3' | O33 | 113.0° | 109.5° |
| P3' | O31 | HO31 | 109.5° | 114.1° |
| P3' | O33 | HO33 | 109.5° | 114.0° |
| C5' | C4' | H4' | 119.6° | 119.9° |
| C4' | C5' | O5' | 120.1° | 120.0° |
| C4' | C5' | C6' | 119.0° | 120.0° |
| O5' | C5' | C6' | 120.6° | 120.0° |
| C5' | O5' | P5' | 115.3° | 114.0° |
| C5' | C6' | H6' | 119.4° | 120.0° |
| O5' | P5' | O51 | 105.9° | 109.5° |
| O5' | P5' | O53 | 114.4° | 109.5° |
| O5' | P5' | O52 | 106.2° | 109.5° |
| O51 | P5' | O53 | 111.4° | 109.4° |
| O51 | P5' | O52 | 104.6° | 109.5° |
| O53 | P5' | O52 | 113.6° | 109.5° |
| P5' | O53 | HO53 | 109.5° | 114.0° |
| P5' | O52 | HO52 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1' | C1 | C2 | C6 | 173.6° | 179.8° |
| C1' | C1 | C2 | O2 | 5.9° | 0.2° |
| C1' | C1 | C2 | C3 | 178.7° | 179.7° |
| C1' | C1 | C6 | C5 | 179.3° | 179.7° |
| C1' | C1 | C6 | O6 | 9.4° | 0.3° |
| C1 | C1' | C6' | C2' | 177.6° | 179.8° |
| C1 | C1' | C2' | C3' | 178.9° | 180.0° |
| C1 | C1' | C2' | H2' | 1.1° | 0.0° |
| C1 | C1' | C6' | C5' | 179.5° | 179.8° |
| C1 | C1' | C6' | H6' | 0.5° | 0.2° |
| C1 | C2 | O2 | C3 | 175.3° | 179.9° |
| C1 | C2 | O2 | P2 | 166.7° | 105.0° |
| C1 | C2 | C3 | C4 | 2.0° | 0.1° |
| C1 | C2 | C3 | H3 | 178.0° | 180.0° |
| C2 | C1 | C6 | C5 | 5.6° | 0.1° |
| C2 | C1 | C6 | O6 | 177.0° | 179.9° |
| C2 | C1 | C1' | C6' | 113.6° | 65.3° |
| C2 | C1 | C1' | C2' | 63.9° | 114.9° |
| C6 | C1 | C2 | O2 | 179.5° | 180.0° |
| C6 | C1 | C2 | C3 | 5.1° | 0.1° |
| C1 | C6 | C5 | C4 | 3.1° | 0.1° |
| C1 | C6 | C5 | O6 | 171.3° | 180.0° |
| C1 | C6 | C5 | H5 | 176.9° | 179.9° |
| C1 | C6 | O6 | P6 | 130.0° | 105.0° |
| C6 | C1 | C1' | C6' | 60.0° | 114.5° |
| C6 | C1 | C1' | C2' | 122.5° | 65.3° |
| C2 | O2 | P2 | O21 | 169.6° | 55.0° |
| C2 | O2 | P2 | O23 | 48.5° | 175.0° |
| C2 | O2 | P2 | O22 | 79.3° | 65.0° |
| O2 | C2 | C3 | C4 | 177.3° | 180.0° |
| O2 | C2 | C3 | H3 | 2.7° | 0.0° |
| C3 | C2 | O2 | P2 | 18.0° | 75.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.1° |
| C2 | C3 | C4 | O4 | 175.7° | 180.0° |
| O2 | P2 | O21 | O23 | 124.1° | 120.0° |
| O2 | P2 | O21 | O22 | 112.9° | 120.0° |
| O2 | P2 | O23 | O22 | 124.8° | 120.0° |
| O2 | P2 | O22 | HO22 | 109.9° | 60.0° |
| O2 | P2 | O23 | HO23 | 117.0° | 180.0° |
| O21 | P2 | O23 | O22 | 118.1° | 120.0° |
| O21 | P2 | O22 | HO22 | 0.0° | 180.0° |
| O21 | P2 | O23 | HO23 | 0.0° | 60.0° |
| O23 | P2 | O22 | HO22 | 121.3° | 60.0° |
| O22 | P2 | O23 | HO23 | 118.2° | 60.0° |
| C3 | C4 | C5 | O4 | 175.0° | 179.9° |
| C3 | C4 | O4 | P4 | 111.4° | 89.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | H5 | 179.9° | 179.9° |
| H3 | C3 | C4 | C5 | 179.4° | 180.0° |
| H3 | C3 | C4 | O4 | 4.3° | 0.0° |
| C5 | C4 | O4 | P4 | 73.6° | 90.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | O6 | 174.4° | 180.0° |
| C4 | O4 | P4 | O42 | 47.3° | 54.9° |
| C4 | O4 | P4 | O43 | 77.4° | 65.1° |
| C4 | O4 | P4 | O41 | 170.9° | 175.0° |
| O4 | C4 | C5 | C6 | 175.1° | 180.0° |
| O4 | C4 | C5 | H5 | 4.9° | 0.1° |
| O4 | P4 | O42 | O43 | 120.9° | 120.0° |
| O4 | P4 | O42 | O41 | 119.7° | 120.0° |
| O4 | P4 | O43 | O41 | 111.6° | 120.0° |
| O4 | P4 | O41 | HO41 | 124.2° | 180.0° |
| O4 | P4 | O43 | HO43 | 125.0° | 60.0° |
| O42 | P4 | O43 | O41 | 123.4° | 120.0° |
| O42 | P4 | O41 | HO41 | 0.0° | 59.9° |
| O42 | P4 | O43 | HO43 | 0.0° | 180.0° |
| O43 | P4 | O41 | HO41 | 123.8° | 60.0° |
| O41 | P4 | O43 | HO43 | 123.4° | 60.0° |
| C5 | C6 | O6 | P6 | 58.7° | 75.0° |
| H5 | C5 | C6 | O6 | 5.6° | 0.1° |
| C6 | O6 | P6 | O63 | 152.8° | 55.0° |
| C6 | O6 | P6 | O61 | 28.4° | 65.0° |
| C6 | O6 | P6 | O62 | 87.3° | 175.0° |
| O6 | P6 | O63 | O61 | 122.5° | 120.0° |
| O6 | P6 | O63 | O62 | 116.8° | 120.0° |
| O6 | P6 | O61 | O62 | 113.7° | 120.0° |
| O6 | P6 | O61 | HO61 | 124.3° | 60.1° |
| O6 | P6 | O62 | HO62 | 121.0° | 180.0° |
| O63 | P6 | O61 | O62 | 122.0° | 120.0° |
| O63 | P6 | O61 | HO61 | 0.0° | 180.0° |
| O63 | P6 | O62 | HO62 | 0.0° | 60.0° |
| O61 | P6 | O62 | HO62 | 122.9° | 60.0° |
| O62 | P6 | O61 | HO61 | 122.0° | 59.9° |
| C6' | C1' | C2' | C3' | 1.3° | 0.2° |
| C6' | C1' | C2' | H2' | 178.6° | 179.8° |
| C1' | C6' | C5' | C4' | 5.0° | 0.4° |
| C1' | C6' | C5' | O5' | 178.5° | 179.8° |
| C1' | C6' | C5' | H6' | 180.0° | 179.6° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 1.9° | 0.0° |
| C1' | C2' | C3' | O3' | 177.1° | 180.0° |
| C2' | C1' | C6' | C5' | 2.9° | 0.4° |
| C2' | C1' | C6' | H6' | 177.1° | 180.0° |
| C2' | C3' | C4' | O3' | 174.8° | 180.0° |
| C2' | C3' | O3' | P3' | 153.2° | 90.0° |
| C2' | C3' | C4' | C5' | 4.0° | 0.0° |
| C2' | C3' | C4' | H4' | 176.0° | 180.0° |
| H2' | C2' | C3' | C4' | 178.1° | 180.0° |
| H2' | C2' | C3' | O3' | 2.9° | 0.0° |
| C4' | C3' | O3' | P3' | 31.9° | 90.0° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | O5' | 179.1° | 180.0° |
| C3' | C4' | C5' | C6' | 5.6° | 0.2° |
| C3' | O3' | P3' | O32 | 67.9° | 55.0° |
| C3' | O3' | P3' | O31 | 171.4° | 175.0° |
| C3' | O3' | P3' | O33 | 47.1° | 64.9° |
| O3' | C3' | C4' | C5' | 178.8° | 180.0° |
| O3' | C3' | C4' | H4' | 1.2° | 0.0° |
| O3' | P3' | O32 | O31 | 121.5° | 120.0° |
| O3' | P3' | O32 | O33 | 115.3° | 120.0° |
| O3' | P3' | O31 | O33 | 121.2° | 120.0° |
| O3' | P3' | O31 | HO31 | 119.1° | 180.0° |
| O3' | P3' | O33 | HO33 | 115.2° | 60.0° |
| O32 | P3' | O31 | O33 | 119.7° | 120.0° |
| O32 | P3' | O31 | HO31 | 0.0° | 60.0° |
| O32 | P3' | O33 | HO33 | 0.0° | 180.0° |
| O31 | P3' | O33 | HO33 | 121.4° | 60.0° |
| O33 | P3' | O31 | HO31 | 119.7° | 60.0° |
| C4' | C5' | O5' | C6' | 173.5° | 179.8° |
| C4' | C5' | O5' | P5' | 100.6° | 90.0° |
| C4' | C5' | C6' | H6' | 175.0° | 180.0° |
| H4' | C4' | C5' | O5' | 0.9° | 0.0° |
| H4' | C4' | C5' | C6' | 174.4° | 179.8° |
| C5' | O5' | P5' | O51 | 167.0° | 55.0° |
| C5' | O5' | P5' | O53 | 43.9° | 65.0° |
| C5' | O5' | P5' | O52 | 82.2° | 175.0° |
| O5' | C5' | C6' | H6' | 1.4° | 0.2° |
| C6' | C5' | O5' | P5' | 85.9° | 89.8° |
| O5' | P5' | O51 | O53 | 125.0° | 120.0° |
| O5' | P5' | O51 | O52 | 111.9° | 120.0° |
| O5' | P5' | O53 | O52 | 122.1° | 120.1° |
| O5' | P5' | O52 | HO52 | 111.7° | 180.0° |
| O5' | P5' | O53 | HO53 | 120.1° | 60.1° |
| O51 | P5' | O53 | O52 | 117.8° | 120.0° |
| O51 | P5' | O52 | HO52 | 0.0° | 60.0° |
| O51 | P5' | O53 | HO53 | 0.0° | 180.0° |
| O53 | P5' | O52 | HO52 | 121.7° | 60.0° |
| O52 | P5' | O53 | HO53 | 117.8° | 60.0° |
