Obsolete: 102
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PG | S1G | doub | 1.86Å | 0.00Å | |
| PG | O2G | sing | 1.61Å | 0.00Å | |
| PG | O3G | sing | 1.61Å | 0.00Å | |
| PG | O3B | sing | 1.61Å | 0.00Å | |
| O2G | HOG2 | sing | 0.97Å | 0.00Å | |
| O3G | HOG3 | sing | 0.97Å | 0.00Å | |
| O3B | PB | sing | 1.61Å | 0.00Å | |
| PB | O1B | doub | 1.48Å | 0.00Å | |
| PB | O2B | sing | 1.61Å | 0.00Å | |
| PB | O3A | sing | 1.61Å | 0.00Å | |
| O2B | HOB2 | sing | 0.97Å | 0.00Å | |
| O3A | PA | sing | 1.61Å | 0.00Å | |
| PA | O1A | doub | 1.48Å | 0.00Å | |
| PA | O2A | sing | 1.61Å | 0.00Å | |
| PA | O5' | sing | 1.61Å | 0.00Å | |
| O2A | HOA2 | sing | 0.97Å | 0.00Å | |
| O5' | C5' | sing | 1.43Å | 0.00Å | |
| C5' | C4' | sing | 1.53Å | 0.00Å | |
| C5' | H5'1 | sing | 1.09Å | 0.00Å | |
| C5' | H5'2 | sing | 1.09Å | 0.00Å | |
| C4' | O4' | sing | 1.43Å | 0.00Å | |
| C4' | C3' | sing | 1.54Å | 0.00Å | |
| C4' | H4' | sing | 1.09Å | 0.00Å | |
| O4' | C1' | sing | 1.44Å | 0.00Å | |
| C3' | O3' | sing | 1.43Å | 0.00Å | |
| C3' | C2' | sing | 1.55Å | 0.00Å | |
| C3' | H3' | sing | 1.09Å | 0.00Å | |
| O3' | HO3' | sing | 0.97Å | 0.00Å | |
| C2' | O2' | sing | 1.43Å | 0.00Å | |
| C2' | C1' | sing | 1.55Å | 0.00Å | |
| C2' | H2' | sing | 1.09Å | 0.00Å | |
| O2' | HO2' | sing | 0.97Å | 0.00Å | |
| C1' | N9 | sing | 1.47Å | 0.00Å | |
| C1' | H1' | sing | 1.09Å | 0.00Å | |
| N9 | C8 | sing | 1.36Å | 0.00Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 0.00Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 0.00Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 0.00Å | |
| N7 | C5 | sing | 1.36Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 0.00Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 0.00Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 0.00Å | |
| C6 | N1 | sing | 1.35Å | 0.00Å | Aromatic |
| N1 | C2 | sing | 1.36Å | 0.00Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 0.00Å | |
| C2 | N2 | sing | 1.37Å | 0.00Å | |
| C2 | N3 | doub | 1.31Å | 0.00Å | Aromatic |
| N2 | HN21 | sing | 0.97Å | 0.00Å | |
| N2 | HN22 | sing | 0.97Å | 0.00Å | |
| N3 | C4 | sing | 1.34Å | 0.00Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1G | PG | O2G | 90.0° | 109.5° |
| S1G | PG | O3G | 90.0° | 109.5° |
| S1G | PG | O3B | 90.0° | 109.5° |
| O2G | PG | O3G | 90.0° | 109.4° |
| O2G | PG | O3B | 90.0° | 109.5° |
| PG | O2G | HOG2 | 90.0° | 114.0° |
| O3G | PG | O3B | 90.0° | 109.5° |
| PG | O3G | HOG3 | 90.0° | 114.0° |
| PG | O3B | PB | 90.0° | 134.0° |
| O3B | PB | O1B | 90.0° | 109.5° |
| O3B | PB | O2B | 90.0° | 109.5° |
| O3B | PB | O3A | 90.0° | 109.5° |
| O1B | PB | O2B | 90.0° | 109.5° |
| O1B | PB | O3A | 90.0° | 109.4° |
| O2B | PB | O3A | 90.0° | 109.4° |
| PB | O2B | HOB2 | 90.0° | 114.0° |
| PB | O3A | PA | 90.0° | 134.0° |
| O3A | PA | O1A | 90.0° | 109.5° |
| O3A | PA | O2A | 90.0° | 109.5° |
| O3A | PA | O5' | 90.0° | 109.5° |
| O1A | PA | O2A | 90.0° | 109.4° |
| O1A | PA | O5' | 90.0° | 109.5° |
| O2A | PA | O5' | 90.0° | 109.5° |
| PA | O2A | HOA2 | 90.0° | 114.0° |
| PA | O5' | C5' | 90.0° | 123.0° |
| O5' | C5' | C4' | 90.0° | 109.4° |
| O5' | C5' | H5'1 | 90.0° | 109.4° |
| O5' | C5' | H5'2 | 90.0° | 109.5° |
| C4' | C5' | H5'1 | 90.0° | 109.5° |
| C4' | C5' | H5'2 | 90.0° | 109.5° |
| C5' | C4' | O4' | 90.0° | 109.9° |
| C5' | C4' | C3' | 90.0° | 109.8° |
| C5' | C4' | H4' | 90.0° | 109.9° |
| H5'1 | C5' | H5'2 | 90.0° | 109.4° |
| O4' | C4' | C3' | 90.0° | 107.6° |
| O4' | C4' | H4' | 90.0° | 109.9° |
| C4' | O4' | C1' | 90.0° | 110.0° |
| C3' | C4' | H4' | 90.0° | 109.9° |
| C4' | C3' | O3' | 90.0° | 110.8° |
| C4' | C3' | C2' | 90.0° | 102.3° |
| C4' | C3' | H3' | 90.0° | 110.9° |
| O4' | C1' | C2' | 90.0° | 105.1° |
| O4' | C1' | N9 | 90.0° | 110.3° |
| O4' | C1' | H1' | 90.0° | 110.3° |
| O3' | C3' | C2' | 90.0° | 110.9° |
| O3' | C3' | H3' | 90.0° | 110.8° |
| C3' | O3' | HO3' | 90.0° | 114.0° |
| C2' | C3' | H3' | 90.0° | 111.0° |
| C3' | C2' | O2' | 90.0° | 111.1° |
| C3' | C2' | C1' | 90.0° | 101.0° |
| C3' | C2' | H2' | 90.0° | 111.1° |
| O2' | C2' | C1' | 90.0° | 111.1° |
| O2' | C2' | H2' | 90.0° | 111.0° |
| C2' | O2' | HO2' | 90.0° | 114.0° |
| C1' | C2' | H2' | 90.0° | 111.2° |
| C2' | C1' | N9 | 90.0° | 110.3° |
| C2' | C1' | H1' | 90.0° | 110.3° |
| N9 | C1' | H1' | 90.0° | 110.4° |
| C1' | N9 | C8 | 90.0° | 126.3° |
| C1' | N9 | C4 | 90.0° | 126.2° |
| C8 | N9 | C4 | 90.0° | 107.5° |
| N9 | C8 | N7 | 90.0° | 109.8° |
| N9 | C8 | H8 | 90.0° | 125.1° |
| N9 | C4 | C5 | 90.0° | 106.1° |
| N9 | C4 | N3 | 90.0° | 134.3° |
| N7 | C8 | H8 | 90.0° | 125.1° |
| C8 | N7 | C5 | 90.0° | 109.3° |
| N7 | C5 | C6 | 90.0° | 134.1° |
| N7 | C5 | C4 | 90.0° | 107.3° |
| C6 | C5 | C4 | 90.0° | 118.6° |
| C5 | C6 | O6 | 90.0° | 120.8° |
| C5 | C6 | N1 | 90.0° | 118.3° |
| C5 | C4 | N3 | 90.0° | 119.7° |
| O6 | C6 | N1 | 90.0° | 120.8° |
| C6 | N1 | C2 | 90.0° | 120.4° |
| C6 | N1 | HN1 | 90.0° | 119.8° |
| C2 | N1 | HN1 | 90.0° | 119.9° |
| N1 | C2 | N2 | 90.0° | 119.0° |
| N1 | C2 | N3 | 90.0° | 122.0° |
| N2 | C2 | N3 | 90.0° | 119.0° |
| C2 | N2 | HN21 | 90.0° | 120.0° |
| C2 | N2 | HN22 | 90.0° | 120.0° |
| C2 | N3 | C4 | 90.0° | 121.1° |
| HN21 | N2 | HN22 | 90.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1G | PG | O2G | O3G | 90.0° | 120.0° |
| S1G | PG | O2G | O3B | 90.0° | 120.0° |
| S1G | PG | O3G | O3B | 90.0° | 120.0° |
| S1G | PG | O2G | HOG2 | 90.0° | 59.9° |
| S1G | PG | O3G | HOG3 | 90.0° | 180.0° |
| S1G | PG | O3B | PB | 90.0° | 60.0° |
| O2G | PG | O3G | O3B | 90.0° | 120.0° |
| O2G | PG | O3G | HOG3 | 90.0° | 60.0° |
| O2G | PG | O3B | PB | 90.0° | 180.0° |
| O3G | PG | O2G | HOG2 | 90.0° | 60.1° |
| O3G | PG | O3B | PB | 90.0° | 60.0° |
| O3B | PG | O2G | HOG2 | 90.0° | 179.9° |
| O3B | PG | O3G | HOG3 | 90.0° | 60.0° |
| PG | O3B | PB | O1B | 90.0° | 40.0° |
| PG | O3B | PB | O2B | 90.0° | 80.0° |
| PG | O3B | PB | O3A | 90.0° | 160.0° |
| O3B | PB | O1B | O2B | 90.0° | 120.0° |
| O3B | PB | O1B | O3A | 90.0° | 120.0° |
| O3B | PB | O2B | O3A | 90.0° | 120.0° |
| O3B | PB | O2B | HOB2 | 90.0° | 60.0° |
| O3B | PB | O3A | PA | 90.0° | 165.0° |
| O1B | PB | O2B | O3A | 90.0° | 119.9° |
| O1B | PB | O2B | HOB2 | 90.0° | 180.0° |
| O1B | PB | O3A | PA | 90.0° | 44.9° |
| O2B | PB | O3A | PA | 90.0° | 75.0° |
| O3A | PB | O2B | HOB2 | 90.0° | 60.0° |
| PB | O3A | PA | O1A | 90.0° | 39.9° |
| PB | O3A | PA | O2A | 90.0° | 80.0° |
| PB | O3A | PA | O5' | 90.0° | 160.0° |
| O3A | PA | O1A | O2A | 90.0° | 120.0° |
| O3A | PA | O1A | O5' | 90.0° | 120.0° |
| O3A | PA | O2A | O5' | 90.0° | 120.0° |
| O3A | PA | O2A | HOA2 | 90.0° | 60.0° |
| O3A | PA | O5' | C5' | 90.0° | 175.0° |
| O1A | PA | O2A | O5' | 90.0° | 120.0° |
| O1A | PA | O2A | HOA2 | 90.0° | 180.0° |
| O1A | PA | O5' | C5' | 90.0° | 55.0° |
| O2A | PA | O5' | C5' | 90.0° | 65.0° |
| O5' | PA | O2A | HOA2 | 90.0° | 60.0° |
| PA | O5' | C5' | C4' | 90.0° | 180.0° |
| PA | O5' | C5' | H5'1 | 90.0° | 60.0° |
| PA | O5' | C5' | H5'2 | 90.0° | 59.9° |
| O5' | C5' | C4' | H5'1 | 90.0° | 119.9° |
| O5' | C5' | C4' | H5'2 | 90.0° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 90.0° | 120.0° |
| O5' | C5' | C4' | O4' | 90.0° | 66.5° |
| O5' | C5' | C4' | C3' | 90.0° | 175.5° |
| O5' | C5' | C4' | H4' | 90.0° | 54.5° |
| C4' | C5' | H5'1 | H5'2 | 90.0° | 120.1° |
| C5' | C4' | O4' | C3' | 90.0° | 119.5° |
| C5' | C4' | O4' | H4' | 90.0° | 121.0° |
| C5' | C4' | C3' | H4' | 90.0° | 120.9° |
| C5' | C4' | O4' | C1' | 90.0° | 117.8° |
| C5' | C4' | C3' | O3' | 90.0° | 100.9° |
| C5' | C4' | C3' | C2' | 90.0° | 140.9° |
| C5' | C4' | C3' | H3' | 90.0° | 22.5° |
| H5'1 | C5' | C4' | O4' | 90.0° | 53.5° |
| H5'1 | C5' | C4' | C3' | 90.0° | 64.6° |
| H5'1 | C5' | C4' | H4' | 90.0° | 174.5° |
| H5'2 | C5' | C4' | O4' | 90.0° | 173.5° |
| H5'2 | C5' | C4' | C3' | 90.0° | 55.4° |
| H5'2 | C5' | C4' | H4' | 90.0° | 65.5° |
| O4' | C4' | C3' | H4' | 90.0° | 119.6° |
| O4' | C4' | C3' | O3' | 90.0° | 139.6° |
| O4' | C4' | C3' | C2' | 90.0° | 21.3° |
| O4' | C4' | C3' | H3' | 90.0° | 97.0° |
| C4' | O4' | C1' | C2' | 90.0° | 24.4° |
| C4' | O4' | C1' | N9 | 90.0° | 143.3° |
| C4' | O4' | C1' | H1' | 90.0° | 94.5° |
| C3' | C4' | O4' | C1' | 90.0° | 1.7° |
| C4' | C3' | O3' | C2' | 90.0° | 112.8° |
| C4' | C3' | O3' | H3' | 90.0° | 123.5° |
| C4' | C3' | C2' | H3' | 90.0° | 118.3° |
| C4' | C3' | O3' | HO3' | 90.0° | 180.0° |
| C4' | C3' | C2' | O2' | 90.0° | 83.8° |
| C4' | C3' | C2' | C1' | 90.0° | 34.1° |
| C4' | C3' | C2' | H2' | 90.0° | 152.1° |
| H4' | C4' | O4' | C1' | 90.0° | 121.3° |
| H4' | C4' | C3' | O3' | 90.0° | 20.0° |
| H4' | C4' | C3' | C2' | 90.0° | 98.2° |
| H4' | C4' | C3' | H3' | 90.0° | 143.4° |
| O4' | C1' | C2' | C3' | 90.0° | 36.5° |
| O4' | C1' | C2' | O2' | 90.0° | 81.4° |
| O4' | C1' | C2' | N9 | 90.0° | 118.9° |
| O4' | C1' | C2' | H1' | 90.0° | 118.9° |
| O4' | C1' | C2' | H2' | 90.0° | 154.4° |
| O4' | C1' | N9 | H1' | 90.0° | 122.2° |
| O4' | C1' | N9 | C8 | 90.0° | 23.5° |
| O4' | C1' | N9 | C4 | 90.0° | 156.2° |
| O3' | C3' | C2' | H3' | 90.0° | 123.6° |
| O3' | C3' | C2' | O2' | 90.0° | 34.4° |
| O3' | C3' | C2' | C1' | 90.0° | 152.3° |
| O3' | C3' | C2' | H2' | 90.0° | 89.7° |
| C2' | C3' | O3' | HO3' | 90.0° | 67.2° |
| C3' | C2' | O2' | C1' | 90.0° | 111.6° |
| C3' | C2' | O2' | H2' | 90.0° | 124.2° |
| C3' | C2' | C1' | H2' | 90.0° | 117.9° |
| C3' | C2' | O2' | HO2' | 90.0° | 61.5° |
| C3' | C2' | C1' | N9 | 90.0° | 155.3° |
| C3' | C2' | C1' | H1' | 90.0° | 82.4° |
| H3' | C3' | O3' | HO3' | 90.0° | 56.5° |
| H3' | C3' | C2' | O2' | 90.0° | 157.9° |
| H3' | C3' | C2' | C1' | 90.0° | 84.1° |
| H3' | C3' | C2' | H2' | 90.0° | 33.8° |
| O2' | C2' | C1' | H2' | 90.0° | 124.2° |
| O2' | C2' | C1' | N9 | 90.0° | 37.4° |
| O2' | C2' | C1' | H1' | 90.0° | 159.7° |
| C1' | C2' | O2' | HO2' | 90.0° | 173.1° |
| C2' | C1' | N9 | H1' | 90.0° | 122.2° |
| C2' | C1' | N9 | C8 | 90.0° | 92.2° |
| C2' | C1' | N9 | C4 | 90.0° | 88.2° |
| H2' | C2' | O2' | HO2' | 90.0° | 62.7° |
| H2' | C2' | C1' | N9 | 90.0° | 86.7° |
| H2' | C2' | C1' | H1' | 90.0° | 35.5° |
| C1' | N9 | C8 | C4 | 90.0° | 179.7° |
| C1' | N9 | C8 | N7 | 90.0° | 179.9° |
| C1' | N9 | C8 | H8 | 90.0° | 0.0° |
| C1' | N9 | C4 | C5 | 90.0° | 179.9° |
| C1' | N9 | C4 | N3 | 90.0° | 0.8° |
| H1' | C1' | N9 | C8 | 90.0° | 145.6° |
| H1' | C1' | N9 | C4 | 90.0° | 34.0° |
| N9 | C8 | N7 | H8 | 90.0° | 180.0° |
| N9 | C8 | N7 | C5 | 90.0° | 0.0° |
| C8 | N9 | C4 | C5 | 90.0° | 0.4° |
| C8 | N9 | C4 | N3 | 90.0° | 179.5° |
| C4 | N9 | C8 | N7 | 90.0° | 0.3° |
| C4 | N9 | C8 | H8 | 90.0° | 179.7° |
| N9 | C4 | C5 | N7 | 90.0° | 0.4° |
| N9 | C4 | C5 | C6 | 90.0° | 179.9° |
| N9 | C4 | C5 | N3 | 90.0° | 179.3° |
| N9 | C4 | N3 | C2 | 90.0° | 179.6° |
| C8 | N7 | C5 | C6 | 90.0° | 179.9° |
| C8 | N7 | C5 | C4 | 90.0° | 0.3° |
| H8 | C8 | N7 | C5 | 90.0° | 180.0° |
| N7 | C5 | C6 | C4 | 90.0° | 179.6° |
| N7 | C5 | C6 | O6 | 90.0° | 0.1° |
| N7 | C5 | C6 | N1 | 90.0° | 180.0° |
| N7 | C5 | C4 | N3 | 90.0° | 179.7° |
| C5 | C6 | O6 | N1 | 90.0° | 179.9° |
| C5 | C6 | N1 | C2 | 90.0° | 0.1° |
| C5 | C6 | N1 | HN1 | 90.0° | 179.9° |
| C6 | C5 | C4 | N3 | 90.0° | 0.6° |
| C4 | C5 | C6 | O6 | 90.0° | 179.7° |
| C4 | C5 | C6 | N1 | 90.0° | 0.3° |
| C5 | C4 | N3 | C2 | 90.0° | 0.6° |
| O6 | C6 | N1 | C2 | 90.0° | 180.0° |
| O6 | C6 | N1 | HN1 | 90.0° | 0.0° |
| C6 | N1 | C2 | HN1 | 90.0° | 180.0° |
| C6 | N1 | C2 | N2 | 90.0° | 180.0° |
| C6 | N1 | C2 | N3 | 90.0° | 0.1° |
| N1 | C2 | N2 | N3 | 90.0° | 180.0° |
| N1 | C2 | N2 | HN21 | 90.0° | 0.0° |
| N1 | C2 | N2 | HN22 | 90.0° | 180.0° |
| N1 | C2 | N3 | C4 | 90.0° | 0.3° |
| HN1 | N1 | C2 | N2 | 90.0° | 0.0° |
| HN1 | N1 | C2 | N3 | 90.0° | 179.9° |
| C2 | N2 | HN21 | HN22 | 90.0° | 179.9° |
| N2 | C2 | N3 | C4 | 90.0° | 179.7° |
| N3 | C2 | N2 | HN21 | 90.0° | 179.9° |
| N3 | C2 | N2 | HN22 | 90.0° | 0.0° |
