3AN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PB | O1B | doub | 1.48Å | 1.47Å | |
| PB | O2B | sing | 1.61Å | 1.50Å | |
| PB | O3B | sing | 1.61Å | 1.48Å | |
| PB | O3A | sing | 1.61Å | 1.61Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| O3B | HOB3 | sing | 0.97Å | 0.95Å | |
| PA | O1A | sing | 1.61Å | 1.52Å | |
| PA | O2A | doub | 1.48Å | 1.47Å | |
| PA | O3A | sing | 1.61Å | 1.60Å | |
| PA | O5' | sing | 1.61Å | 1.58Å | |
| O1A | HOA1 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.39Å | |
| C5' | C4' | sing | 1.53Å | 1.56Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | HC'4 | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | N3' | sing | 1.47Å | 1.32Å | |
| C3' | C2' | sing | 1.54Å | 1.53Å | |
| C3' | HC'3 | sing | 1.09Å | 1.12Å | |
| N3' | H3'1 | sing | 1.01Å | 1.10Å | |
| N3' | H3'2 | sing | 1.01Å | 1.10Å | |
| C2' | O2' | sing | 1.43Å | 1.47Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | HC'2 | sing | 1.09Å | 1.11Å | |
| O2' | HO'2 | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.52Å | |
| C1' | HC'1 | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.40Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.29Å | Aromatic |
| C8 | HC8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.32Å | |
| C6 | N1 | sing | 1.33Å | 1.38Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.10Å | |
| N6 | HN62 | sing | 0.97Å | 1.10Å | |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.37Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | doub | 1.33Å | 1.40Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1B | PB | O2B | 114.0° | 109.5° |
| O1B | PB | O3B | 116.8° | 109.5° |
| O1B | PB | O3A | 100.4° | 109.5° |
| O2B | PB | O3B | 113.2° | 109.5° |
| O2B | PB | O3A | 106.8° | 109.4° |
| PB | O2B | HOB2 | 114.0° | 106.8° |
| O3B | PB | O3A | 103.8° | 109.5° |
| PB | O3B | HOB3 | 116.8° | 106.8° |
| PB | O3A | PA | 128.5° | 106.8° |
| O1A | PA | O2A | 122.0° | 109.5° |
| O1A | PA | O3A | 106.0° | 109.5° |
| O1A | PA | O5' | 110.1° | 109.4° |
| PA | O1A | HOA1 | 122.0° | 106.8° |
| O2A | PA | O3A | 108.7° | 109.5° |
| O2A | PA | O5' | 106.0° | 109.5° |
| O3A | PA | O5' | 102.4° | 109.5° |
| PA | O5' | C5' | 117.1° | 106.8° |
| O5' | C5' | C4' | 116.9° | 109.5° |
| O5' | C5' | H5'1 | 109.5° | 109.5° |
| O5' | C5' | H5'2 | 109.5° | 109.5° |
| C4' | C5' | H5'1 | 109.5° | 109.4° |
| C4' | C5' | H5'2 | 109.6° | 109.4° |
| C5' | C4' | O4' | 110.7° | 110.4° |
| C5' | C4' | C3' | 109.7° | 110.7° |
| C5' | C4' | HC'4 | 110.8° | 110.4° |
| H5'1 | C5' | H5'2 | 100.6° | 109.5° |
| O4' | C4' | C3' | 103.8° | 104.7° |
| O4' | C4' | HC'4 | 110.8° | 110.3° |
| C4' | O4' | C1' | 108.1° | 105.4° |
| C3' | C4' | HC'4 | 110.8° | 110.2° |
| C4' | C3' | N3' | 109.6° | 110.6° |
| C4' | C3' | C2' | 106.0° | 104.2° |
| C4' | C3' | HC'3 | 108.3° | 110.5° |
| O4' | C1' | C2' | 100.7° | 104.8° |
| O4' | C1' | N9 | 117.3° | 110.5° |
| O4' | C1' | HC'1 | 105.6° | 110.4° |
| N3' | C3' | C2' | 116.1° | 110.5° |
| N3' | C3' | HC'3 | 108.3° | 110.5° |
| C3' | N3' | H3'1 | 109.7° | 106.7° |
| C3' | N3' | H3'2 | 116.1° | 106.7° |
| C2' | C3' | HC'3 | 108.3° | 110.5° |
| C3' | C2' | O2' | 119.0° | 110.5° |
| C3' | C2' | C1' | 100.0° | 104.1° |
| C3' | C2' | HC'2 | 110.9° | 110.5° |
| H3'1 | N3' | H3'2 | 105.9° | 106.7° |
| O2' | C2' | C1' | 104.4° | 110.6° |
| O2' | C2' | HC'2 | 110.8° | 110.5° |
| C2' | O2' | HO'2 | 119.0° | 106.8° |
| C1' | C2' | HC'2 | 110.9° | 110.5° |
| C2' | C1' | N9 | 120.8° | 110.4° |
| C2' | C1' | HC'1 | 105.6° | 110.4° |
| N9 | C1' | HC'1 | 105.6° | 110.3° |
| C1' | N9 | C8 | 131.7° | 126.3° |
| C1' | N9 | C4 | 123.4° | 126.3° |
| C8 | N9 | C4 | 103.5° | 107.4° |
| N9 | C8 | N7 | 115.9° | 110.0° |
| N9 | C8 | HC8 | 122.0° | 125.0° |
| N9 | C4 | C5 | 105.9° | 106.0° |
| N9 | C4 | N3 | 127.7° | 135.0° |
| N7 | C8 | HC8 | 122.0° | 125.0° |
| C8 | N7 | C5 | 102.9° | 109.4° |
| N7 | C5 | C6 | 130.7° | 134.7° |
| N7 | C5 | C4 | 111.7° | 107.2° |
| C6 | C5 | C4 | 117.5° | 118.2° |
| C5 | C6 | N6 | 117.3° | 120.8° |
| C5 | C6 | N1 | 119.2° | 118.5° |
| C5 | C4 | N3 | 126.4° | 119.0° |
| N6 | C6 | N1 | 120.6° | 120.8° |
| C6 | N6 | HN61 | 117.3° | 120.0° |
| C6 | N6 | HN62 | 120.6° | 120.0° |
| C6 | N1 | C2 | 117.7° | 121.2° |
| HN61 | N6 | HN62 | 119.2° | 120.0° |
| N1 | C2 | N3 | 128.9° | 122.4° |
| N1 | C2 | HC2 | 115.6° | 118.7° |
| N3 | C2 | HC2 | 115.5° | 118.8° |
| C2 | N3 | C4 | 110.1° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | PB | O2B | O3B | 136.6° | 120.1° |
| O1B | PB | O2B | O3A | 109.9° | 120.0° |
| O1B | PB | O3B | O3A | 109.3° | 120.0° |
| O1B | PB | O2B | HOB2 | 180.0° | 60.1° |
| O1B | PB | O3B | HOB3 | 180.0° | 180.0° |
| O1B | PB | O3A | PA | 100.4° | 60.0° |
| O2B | PB | O3B | O3A | 115.3° | 120.0° |
| O2B | PB | O3B | HOB3 | 44.7° | 60.0° |
| O2B | PB | O3A | PA | 18.7° | 180.0° |
| O3B | PB | O2B | HOB2 | 43.4° | 60.0° |
| O3B | PB | O3A | PA | 138.5° | 60.0° |
| O3A | PB | O2B | HOB2 | 70.2° | 180.0° |
| O3A | PB | O3B | HOB3 | 70.7° | 60.0° |
| PB | O3A | PA | O1A | 33.4° | 60.0° |
| PB | O3A | PA | O2A | 166.2° | 60.0° |
| PB | O3A | PA | O5' | 82.0° | 179.9° |
| O1A | PA | O2A | O3A | 123.6° | 120.0° |
| O1A | PA | O2A | O5' | 126.9° | 119.9° |
| O1A | PA | O3A | O5' | 115.3° | 120.0° |
| O1A | PA | O5' | C5' | 164.1° | 60.0° |
| O2A | PA | O3A | O5' | 111.9° | 120.0° |
| O2A | PA | O1A | HOA1 | 180.0° | 180.0° |
| O2A | PA | O5' | C5' | 30.3° | 59.9° |
| O3A | PA | O1A | HOA1 | 55.1° | 60.0° |
| O3A | PA | O5' | C5' | 83.5° | 180.0° |
| O5' | PA | O1A | HOA1 | 54.9° | 60.0° |
| PA | O5' | C5' | C4' | 125.2° | 180.0° |
| PA | O5' | C5' | H5'1 | 0.1° | 60.0° |
| PA | O5' | C5' | H5'2 | 109.5° | 60.1° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 115.3° | 120.0° |
| O5' | C5' | C4' | O4' | 152.4° | 61.4° |
| O5' | C5' | C4' | C3' | 93.5° | 176.9° |
| O5' | C5' | C4' | HC'4 | 29.1° | 60.8° |
| C4' | C5' | H5'1 | H5'2 | 115.3° | 119.9° |
| C5' | C4' | O4' | C3' | 117.7° | 119.2° |
| C5' | C4' | O4' | HC'4 | 123.3° | 122.2° |
| C5' | C4' | C3' | HC'4 | 122.6° | 122.5° |
| C5' | C4' | O4' | C1' | 92.1° | 159.5° |
| C5' | C4' | C3' | N3' | 111.9° | 98.6° |
| C5' | C4' | C3' | C2' | 122.1° | 142.7° |
| C5' | C4' | C3' | HC'3 | 6.1° | 24.0° |
| H5'1 | C5' | C4' | O4' | 82.3° | 178.6° |
| H5'1 | C5' | C4' | C3' | 31.8° | 63.1° |
| H5'1 | C5' | C4' | HC'4 | 154.4° | 59.3° |
| H5'2 | C5' | C4' | O4' | 27.2° | 58.6° |
| H5'2 | C5' | C4' | C3' | 141.2° | 56.8° |
| H5'2 | C5' | C4' | HC'4 | 96.2° | 179.2° |
| O4' | C4' | C3' | HC'4 | 119.0° | 118.6° |
| O4' | C4' | C3' | N3' | 129.7° | 142.5° |
| O4' | C4' | C3' | C2' | 3.7° | 23.8° |
| O4' | C4' | C3' | HC'3 | 112.3° | 94.9° |
| C4' | O4' | C1' | C2' | 44.7° | 40.4° |
| C4' | O4' | C1' | N9 | 88.5° | 159.3° |
| C4' | O4' | C1' | HC'1 | 154.3° | 78.4° |
| C3' | C4' | O4' | C1' | 25.6° | 40.3° |
| C4' | C3' | N3' | C2' | 120.0° | 114.8° |
| C4' | C3' | N3' | HC'3 | 118.0° | 122.6° |
| C4' | C3' | C2' | HC'3 | 116.0° | 118.7° |
| C4' | C3' | N3' | H3'1 | 180.0° | 178.1° |
| C4' | C3' | N3' | H3'2 | 60.0° | 68.1° |
| C4' | C3' | C2' | O2' | 83.6° | 118.9° |
| C4' | C3' | C2' | C1' | 29.1° | 0.1° |
| C4' | C3' | C2' | HC'2 | 146.2° | 118.5° |
| HC'4 | C4' | O4' | C1' | 144.6° | 78.3° |
| HC'4 | C4' | C3' | N3' | 10.7° | 23.9° |
| HC'4 | C4' | C3' | C2' | 115.3° | 94.8° |
| HC'4 | C4' | C3' | HC'3 | 128.7° | 146.5° |
| O4' | C1' | C2' | C3' | 43.6° | 24.0° |
| O4' | C1' | C2' | O2' | 80.0° | 142.7° |
| O4' | C1' | C2' | N9 | 131.0° | 118.9° |
| O4' | C1' | C2' | HC'1 | 109.7° | 118.8° |
| O4' | C1' | C2' | HC'2 | 160.6° | 94.7° |
| O4' | C1' | N9 | HC'1 | 117.2° | 122.3° |
| O4' | C1' | N9 | C8 | 58.6° | 25.5° |
| O4' | C1' | N9 | C4 | 137.0° | 154.9° |
| N3' | C3' | C2' | HC'3 | 122.0° | 122.6° |
| C3' | N3' | H3'1 | H3'2 | 126.0° | 113.8° |
| N3' | C3' | C2' | O2' | 38.4° | 0.1° |
| N3' | C3' | C2' | C1' | 151.1° | 118.7° |
| N3' | C3' | C2' | HC'2 | 91.9° | 122.7° |
| C2' | C3' | N3' | H3'1 | 60.0° | 63.3° |
| C2' | C3' | N3' | H3'2 | 180.0° | 177.1° |
| C3' | C2' | O2' | C1' | 110.3° | 114.7° |
| C3' | C2' | O2' | HC'2 | 130.3° | 122.7° |
| C3' | C2' | C1' | HC'2 | 117.0° | 118.7° |
| C3' | C2' | O2' | HO'2 | 180.0° | 180.0° |
| C3' | C2' | C1' | N9 | 87.4° | 142.9° |
| C3' | C2' | C1' | HC'1 | 153.3° | 94.8° |
| HC'3 | C3' | N3' | H3'1 | 62.0° | 59.3° |
| HC'3 | C3' | N3' | H3'2 | 58.0° | 54.5° |
| HC'3 | C3' | C2' | O2' | 160.4° | 122.5° |
| HC'3 | C3' | C2' | C1' | 86.9° | 118.8° |
| HC'3 | C3' | C2' | HC'2 | 30.1° | 0.2° |
| O2' | C2' | C1' | HC'2 | 119.4° | 122.6° |
| O2' | C2' | C1' | N9 | 149.1° | 98.4° |
| O2' | C2' | C1' | HC'1 | 29.7° | 23.9° |
| C1' | C2' | O2' | HO'2 | 69.7° | 65.3° |
| C2' | C1' | N9 | HC'1 | 119.4° | 122.2° |
| C2' | C1' | N9 | C8 | 64.8° | 89.9° |
| C2' | C1' | N9 | C4 | 99.6° | 89.7° |
| HC'2 | C2' | O2' | HO'2 | 49.7° | 57.4° |
| HC'2 | C2' | C1' | N9 | 29.7° | 24.3° |
| HC'2 | C2' | C1' | HC'1 | 89.7° | 146.5° |
| C1' | N9 | C8 | C4 | 166.6° | 179.7° |
| C1' | N9 | C8 | N7 | 166.4° | 180.0° |
| C1' | N9 | C8 | HC8 | 13.6° | 0.1° |
| C1' | N9 | C4 | C5 | 168.2° | 179.9° |
| C1' | N9 | C4 | N3 | 11.7° | 0.8° |
| HC'1 | C1' | N9 | C8 | 175.8° | 147.8° |
| HC'1 | C1' | N9 | C4 | 19.8° | 32.6° |
| N9 | C8 | N7 | HC8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.4° | 0.1° |
| C8 | N9 | C4 | C5 | 0.1° | 0.4° |
| C8 | N9 | C4 | N3 | 179.8° | 179.5° |
| C4 | N9 | C8 | N7 | 0.2° | 0.3° |
| C4 | N9 | C8 | HC8 | 179.7° | 179.8° |
| N9 | C4 | C5 | N7 | 0.4° | 0.4° |
| N9 | C4 | C5 | C6 | 178.9° | 179.8° |
| N9 | C4 | C5 | N3 | 179.9° | 179.3° |
| N9 | C4 | N3 | C2 | 179.0° | 179.6° |
| C8 | N7 | C5 | C6 | 178.7° | 180.0° |
| C8 | N7 | C5 | C4 | 0.5° | 0.2° |
| HC8 | C8 | N7 | C5 | 179.5° | 180.0° |
| N7 | C5 | C6 | C4 | 178.2° | 179.8° |
| N7 | C5 | C6 | N6 | 20.5° | 0.1° |
| N7 | C5 | C6 | N1 | 178.6° | 180.0° |
| N7 | C5 | C4 | N3 | 179.5° | 179.7° |
| C5 | C6 | N6 | N1 | 160.6° | 179.9° |
| C5 | C6 | N6 | HN61 | 180.0° | 179.9° |
| C5 | C6 | N6 | HN62 | 19.5° | 0.0° |
| C5 | C6 | N1 | C2 | 3.1° | 0.1° |
| C6 | C5 | C4 | N3 | 1.0° | 0.5° |
| C4 | C5 | C6 | N6 | 157.6° | 179.7° |
| C4 | C5 | C6 | N1 | 3.2° | 0.2° |
| C5 | C4 | N3 | C2 | 1.1° | 0.5° |
| C6 | N6 | HN61 | HN62 | 160.8° | 180.0° |
| N6 | C6 | N1 | C2 | 157.1° | 180.0° |
| N1 | C6 | N6 | HN61 | 19.5° | 0.1° |
| N1 | C6 | N6 | HN62 | 180.0° | 179.9° |
| C6 | N1 | C2 | N3 | 0.7° | 0.0° |
| C6 | N1 | C2 | HC2 | 179.3° | 179.9° |
| N1 | C2 | N3 | HC2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 1.4° | 0.3° |
| HC2 | C2 | N3 | C4 | 178.7° | 179.7° |
