ATS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| AS1 | OG2 | sing | 0.00Å | 1.75Å | |
| AS1 | OG3 | sing | 0.00Å | 1.72Å | |
| AS1 | OG1 | doub | 0.00Å | 1.65Å | |
| AS1 | C3B | sing | 0.00Å | 1.92Å | |
| OG2 | HO2 | sing | 0.00Å | 0.95Å | |
| OG3 | HO3 | sing | 0.00Å | 0.95Å | |
| PA | O5' | sing | 0.00Å | 1.59Å | |
| PA | O11 | sing | 0.00Å | 1.48Å | |
| PA | O13 | sing | 0.00Å | 1.59Å | |
| PA | O12 | doub | 0.00Å | 1.48Å | |
| O5' | C5' | sing | 0.00Å | 1.40Å | |
| O11 | HOB | sing | 0.00Å | 0.95Å | |
| O13 | PB | sing | 0.00Å | 1.62Å | |
| C5' | C4' | sing | 0.00Å | 1.52Å | |
| C5' | H5'1 | sing | 0.00Å | 1.10Å | |
| C5' | H5'2 | sing | 0.00Å | 1.10Å | |
| C4' | O4' | sing | 0.00Å | 1.45Å | |
| C4' | C3' | sing | 0.00Å | 1.52Å | |
| C4' | H4' | sing | 0.00Å | 1.10Å | |
| O4' | C1' | sing | 0.00Å | 1.43Å | |
| C2' | O2' | sing | 0.00Å | 1.39Å | |
| C2' | C3' | sing | 0.00Å | 1.53Å | |
| C2' | C1' | sing | 0.00Å | 1.53Å | |
| C2' | H2' | sing | 0.00Å | 1.10Å | |
| O2' | HO2' | sing | 0.00Å | 0.95Å | |
| C3' | O3' | sing | 0.00Å | 1.41Å | |
| C3' | H3' | sing | 0.00Å | 1.10Å | |
| O3' | HO3' | sing | 0.00Å | 0.95Å | |
| C1' | N9 | sing | 0.00Å | 1.48Å | |
| C1' | H1' | sing | 0.00Å | 1.10Å | |
| N9 | C4 | sing | 0.00Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 0.00Å | 1.34Å | Aromatic |
| C4 | N3 | doub | 0.00Å | 1.31Å | Aromatic |
| C4 | C5 | sing | 0.00Å | 1.35Å | Aromatic |
| N3 | C2 | sing | 0.00Å | 1.33Å | Aromatic |
| C2 | N1 | doub | 0.00Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 0.00Å | 1.08Å | |
| N1 | C6 | sing | 0.00Å | 1.32Å | Aromatic |
| C6 | N6 | sing | 0.00Å | 1.33Å | |
| C6 | C5 | doub | 0.00Å | 1.40Å | Aromatic |
| N6 | HN61 | sing | 0.00Å | 1.00Å | |
| N6 | HN62 | sing | 0.00Å | 1.00Å | |
| C5 | N7 | sing | 0.00Å | 1.36Å | Aromatic |
| N7 | C8 | doub | 0.00Å | 1.29Å | Aromatic |
| C8 | H8 | sing | 0.00Å | 1.08Å | |
| PB | OB2 | doub | 0.00Å | 1.56Å | |
| PB | C3B | sing | 0.00Å | 1.73Å | |
| PB | OB1 | sing | 0.00Å | 1.56Å | |
| C3B | H3B1 | sing | 0.00Å | 1.10Å | |
| C3B | H3B2 | sing | 0.00Å | 1.10Å | |
| OB1 | HB1 | sing | 0.00Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OG2 | AS1 | OG3 | 115.3° | 90.0° |
| OG2 | AS1 | OG1 | 112.2° | 90.0° |
| OG2 | AS1 | C3B | 108.4° | 90.0° |
| AS1 | OG2 | HO2 | 109.5° | 90.0° |
| OG3 | AS1 | OG1 | 110.7° | 90.0° |
| OG3 | AS1 | C3B | 100.9° | 90.0° |
| AS1 | OG3 | HO3 | 109.5° | 90.0° |
| OG1 | AS1 | C3B | 108.6° | 90.0° |
| AS1 | C3B | PB | 111.9° | 90.0° |
| AS1 | C3B | H3B1 | 108.1° | 90.0° |
| AS1 | C3B | H3B2 | 108.7° | 90.0° |
| O5' | PA | O11 | 109.6° | 90.0° |
| O5' | PA | O13 | 110.4° | 90.0° |
| O5' | PA | O12 | 108.4° | 90.0° |
| PA | O5' | C5' | 119.8° | 90.0° |
| O11 | PA | O13 | 110.5° | 90.0° |
| O11 | PA | O12 | 109.0° | 90.0° |
| PA | O11 | HOB | 109.5° | 90.0° |
| O13 | PA | O12 | 108.8° | 90.0° |
| PA | O13 | PB | 125.0° | 90.0° |
| O5' | C5' | C4' | 111.4° | 90.0° |
| O5' | C5' | H5'1 | 108.4° | 90.0° |
| O5' | C5' | H5'2 | 108.8° | 90.0° |
| O13 | PB | OB2 | 110.4° | 90.0° |
| O13 | PB | C3B | 108.2° | 90.0° |
| O13 | PB | OB1 | 112.9° | 90.0° |
| C4' | C5' | H5'1 | 108.4° | 90.0° |
| C4' | C5' | H5'2 | 108.8° | 90.0° |
| C5' | C4' | O4' | 110.4° | 90.0° |
| C5' | C4' | C3' | 115.9° | 90.0° |
| C5' | C4' | H4' | 103.2° | 90.0° |
| H5'1 | C5' | H5'2 | 111.0° | 90.0° |
| O4' | C4' | C3' | 105.7° | 90.0° |
| O4' | C4' | H4' | 113.8° | 90.0° |
| C4' | O4' | C1' | 111.2° | 90.0° |
| C3' | C4' | H4' | 108.2° | 90.0° |
| C4' | C3' | C2' | 104.5° | 90.0° |
| C4' | C3' | O3' | 112.1° | 90.0° |
| C4' | C3' | H3' | 111.9° | 90.0° |
| O4' | C1' | C2' | 104.6° | 90.0° |
| O4' | C1' | N9 | 105.9° | 90.0° |
| O4' | C1' | H1' | 118.9° | 90.0° |
| O2' | C2' | C3' | 108.1° | 90.0° |
| O2' | C2' | C1' | 111.8° | 90.0° |
| O2' | C2' | H2' | 106.8° | 90.0° |
| C2' | O2' | HO2' | 109.5° | 90.0° |
| C3' | C2' | C1' | 102.3° | 90.0° |
| C3' | C2' | H2' | 115.6° | 90.0° |
| C2' | C3' | O3' | 111.8° | 90.0° |
| C2' | C3' | H3' | 112.2° | 90.0° |
| C1' | C2' | H2' | 112.2° | 90.0° |
| C2' | C1' | N9 | 119.6° | 90.0° |
| C2' | C1' | H1' | 105.0° | 90.0° |
| O3' | C3' | H3' | 104.6° | 90.0° |
| C3' | O3' | HO3' | 109.5° | 90.0° |
| N9 | C1' | H1' | 103.6° | 90.0° |
| C1' | N9 | C4 | 132.8° | 90.0° |
| C1' | N9 | C8 | 120.7° | 90.0° |
| C4 | N9 | C8 | 104.5° | 90.0° |
| N9 | C4 | N3 | 128.9° | 90.0° |
| N9 | C4 | C5 | 106.0° | 90.0° |
| N9 | C8 | N7 | 114.3° | 90.0° |
| N9 | C8 | H8 | 122.8° | 90.0° |
| N3 | C4 | C5 | 124.9° | 90.0° |
| C4 | N3 | C2 | 111.8° | 90.0° |
| C4 | C5 | C6 | 118.2° | 90.0° |
| C4 | C5 | N7 | 110.7° | 90.0° |
| N3 | C2 | N1 | 130.2° | 90.0° |
| N3 | C2 | H2 | 114.9° | 90.0° |
| N1 | C2 | H2 | 114.9° | 90.0° |
| C2 | N1 | C6 | 116.2° | 90.0° |
| N1 | C6 | N6 | 117.9° | 90.0° |
| N1 | C6 | C5 | 118.7° | 90.0° |
| N6 | C6 | C5 | 123.5° | 90.0° |
| C6 | N6 | HN61 | 109.5° | 90.0° |
| C6 | N6 | HN62 | 109.5° | 90.0° |
| C6 | C5 | N7 | 131.1° | 90.0° |
| HN61 | N6 | HN62 | 109.5° | 90.0° |
| C5 | N7 | C8 | 103.9° | 90.0° |
| N7 | C8 | H8 | 122.8° | 90.0° |
| OB2 | PB | C3B | 104.7° | 90.0° |
| OB2 | PB | OB1 | 109.7° | 90.0° |
| C3B | PB | OB1 | 110.7° | 90.0° |
| PB | C3B | H3B1 | 108.1° | 90.0° |
| PB | C3B | H3B2 | 108.6° | 90.0° |
| PB | OB1 | HB1 | 109.5° | 90.0° |
| H3B1 | C3B | H3B2 | 111.4° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OG2 | AS1 | OG3 | OG1 | 128.7° | 90.0° |
| OG2 | AS1 | OG3 | C3B | 116.5° | 90.0° |
| OG2 | AS1 | OG1 | C3B | 119.8° | 90.0° |
| OG2 | AS1 | OG3 | HO3 | 42.4° | 90.0° |
| OG2 | AS1 | C3B | PB | 33.5° | 90.0° |
| OG2 | AS1 | C3B | H3B1 | 85.4° | 90.0° |
| OG2 | AS1 | C3B | H3B2 | 153.5° | 90.0° |
| OG3 | AS1 | OG1 | C3B | 109.9° | 90.0° |
| OG3 | AS1 | OG2 | HO2 | 159.7° | 90.0° |
| OG3 | AS1 | C3B | PB | 155.0° | 90.0° |
| OG3 | AS1 | C3B | H3B1 | 36.0° | 90.0° |
| OG3 | AS1 | C3B | H3B2 | 85.0° | 90.0° |
| OG1 | AS1 | OG2 | HO2 | 31.7° | 90.0° |
| OG1 | AS1 | OG3 | HO3 | 171.1° | 90.0° |
| OG1 | AS1 | C3B | PB | 88.6° | 90.0° |
| OG1 | AS1 | C3B | H3B1 | 152.4° | 90.0° |
| OG1 | AS1 | C3B | H3B2 | 31.4° | 90.0° |
| C3B | AS1 | OG2 | HO2 | 88.2° | 90.0° |
| C3B | AS1 | OG3 | HO3 | 74.1° | 90.0° |
| AS1 | C3B | PB | O13 | 141.3° | 90.0° |
| AS1 | C3B | PB | OB2 | 101.0° | 90.0° |
| AS1 | C3B | PB | H3B1 | 119.0° | 90.0° |
| AS1 | C3B | PB | H3B2 | 120.0° | 90.0° |
| AS1 | C3B | PB | OB1 | 17.1° | 90.0° |
| AS1 | C3B | H3B1 | H3B2 | 119.3° | 90.0° |
| O5' | PA | O11 | O13 | 121.9° | 90.0° |
| O5' | PA | O11 | O12 | 118.6° | 90.0° |
| O5' | PA | O13 | O12 | 118.9° | 90.0° |
| O5' | PA | O11 | HOB | 108.1° | 90.0° |
| O5' | PA | O13 | PB | 144.2° | 90.0° |
| PA | O5' | C5' | C4' | 112.0° | 90.0° |
| PA | O5' | C5' | H5'1 | 7.2° | 90.0° |
| PA | O5' | C5' | H5'2 | 128.0° | 90.0° |
| O11 | PA | O13 | O12 | 119.7° | 90.0° |
| O11 | PA | O5' | C5' | 71.5° | 90.0° |
| O11 | PA | O13 | PB | 22.8° | 90.0° |
| O13 | PA | O5' | C5' | 50.4° | 90.0° |
| O13 | PA | O11 | HOB | 13.8° | 90.0° |
| PA | O13 | PB | OB2 | 159.2° | 90.0° |
| PA | O13 | PB | C3B | 86.8° | 90.0° |
| PA | O13 | PB | OB1 | 36.1° | 90.0° |
| O12 | PA | O5' | C5' | 169.5° | 90.0° |
| O12 | PA | O11 | HOB | 133.3° | 90.0° |
| O12 | PA | O13 | PB | 96.9° | 90.0° |
| O5' | C5' | C4' | H5'1 | 119.2° | 90.0° |
| O5' | C5' | C4' | H5'2 | 120.0° | 90.0° |
| O5' | C5' | H5'1 | H5'2 | 119.5° | 90.0° |
| O5' | C5' | C4' | O4' | 57.8° | 90.0° |
| O5' | C5' | C4' | C3' | 177.9° | 90.0° |
| O5' | C5' | C4' | H4' | 64.2° | 90.0° |
| O13 | PB | OB2 | C3B | 116.3° | 90.0° |
| O13 | PB | OB2 | OB1 | 125.0° | 90.0° |
| O13 | PB | C3B | OB1 | 124.2° | 90.0° |
| O13 | PB | C3B | H3B1 | 99.7° | 90.0° |
| O13 | PB | C3B | H3B2 | 21.3° | 90.0° |
| O13 | PB | OB1 | HB1 | 178.4° | 90.0° |
| C4' | C5' | H5'1 | H5'2 | 119.4° | 90.0° |
| C5' | C4' | O4' | C3' | 126.0° | 90.0° |
| C5' | C4' | O4' | H4' | 115.5° | 90.0° |
| C5' | C4' | C3' | H4' | 115.2° | 90.0° |
| C5' | C4' | O4' | C1' | 130.1° | 90.0° |
| C5' | C4' | C3' | C2' | 105.1° | 90.0° |
| C5' | C4' | C3' | O3' | 133.6° | 90.0° |
| C5' | C4' | C3' | H3' | 16.4° | 90.0° |
| H5'1 | C5' | C4' | O4' | 177.0° | 90.0° |
| H5'1 | C5' | C4' | C3' | 62.9° | 90.0° |
| H5'1 | C5' | C4' | H4' | 55.0° | 90.0° |
| H5'2 | C5' | C4' | O4' | 62.2° | 90.0° |
| H5'2 | C5' | C4' | C3' | 57.9° | 90.0° |
| H5'2 | C5' | C4' | H4' | 175.8° | 90.0° |
| O4' | C4' | C3' | H4' | 122.2° | 90.0° |
| O4' | C4' | C3' | C2' | 17.5° | 90.0° |
| C4' | O4' | C1' | C2' | 24.0° | 90.0° |
| O4' | C4' | C3' | O3' | 103.8° | 90.0° |
| O4' | C4' | C3' | H3' | 139.1° | 90.0° |
| C4' | O4' | C1' | N9 | 151.3° | 90.0° |
| C4' | O4' | C1' | H1' | 92.7° | 90.0° |
| C3' | C4' | O4' | C1' | 4.1° | 90.0° |
| C4' | C3' | C2' | O2' | 149.0° | 90.0° |
| C4' | C3' | C2' | O3' | 121.5° | 90.0° |
| C4' | C3' | C2' | H3' | 121.4° | 90.0° |
| C4' | C3' | C2' | C1' | 30.9° | 90.0° |
| C4' | C3' | C2' | H2' | 91.4° | 90.0° |
| C4' | C3' | O3' | H3' | 121.4° | 90.0° |
| C4' | C3' | O3' | HO3' | 21.2° | 90.0° |
| H4' | C4' | O4' | C1' | 114.4° | 90.0° |
| H4' | C4' | C3' | C2' | 139.7° | 90.0° |
| H4' | C4' | C3' | O3' | 18.4° | 90.0° |
| H4' | C4' | C3' | H3' | 98.7° | 90.0° |
| O4' | C1' | C2' | O2' | 149.0° | 90.0° |
| O4' | C1' | C2' | C3' | 33.5° | 90.0° |
| O4' | C1' | C2' | N9 | 118.3° | 90.0° |
| O4' | C1' | C2' | H1' | 126.0° | 90.0° |
| O4' | C1' | C2' | H2' | 91.0° | 90.0° |
| O4' | C1' | N9 | H1' | 125.9° | 90.0° |
| O4' | C1' | N9 | C4 | 119.5° | 90.0° |
| O4' | C1' | N9 | C8 | 41.6° | 90.0° |
| O2' | C2' | C3' | C1' | 118.1° | 90.0° |
| O2' | C2' | C3' | H2' | 119.6° | 90.0° |
| O2' | C2' | C1' | H2' | 120.0° | 90.0° |
| O2' | C2' | C3' | O3' | 27.5° | 90.0° |
| O2' | C2' | C3' | H3' | 89.6° | 90.0° |
| O2' | C2' | C1' | N9 | 92.7° | 90.0° |
| O2' | C2' | C1' | H1' | 23.0° | 90.0° |
| C3' | C2' | C1' | H2' | 124.6° | 90.0° |
| C3' | C2' | O2' | HO2' | 163.1° | 90.0° |
| C2' | C3' | O3' | H3' | 121.6° | 90.0° |
| C2' | C3' | O3' | HO3' | 95.7° | 90.0° |
| C3' | C2' | C1' | N9 | 151.9° | 90.0° |
| C3' | C2' | C1' | H1' | 92.4° | 90.0° |
| C1' | C2' | O2' | HO2' | 51.2° | 90.0° |
| C1' | C2' | C3' | O3' | 90.6° | 90.0° |
| C1' | C2' | C3' | H3' | 152.3° | 90.0° |
| C2' | C1' | N9 | H1' | 116.4° | 90.0° |
| C2' | C1' | N9 | C4 | 122.8° | 90.0° |
| C2' | C1' | N9 | C8 | 76.0° | 90.0° |
| H2' | C2' | O2' | HO2' | 71.8° | 90.0° |
| H2' | C2' | C3' | O3' | 147.2° | 90.0° |
| H2' | C2' | C3' | H3' | 30.0° | 90.0° |
| H2' | C2' | C1' | N9 | 27.3° | 90.0° |
| H2' | C2' | C1' | H1' | 143.0° | 90.0° |
| H3' | C3' | O3' | HO3' | 142.7° | 90.0° |
| C1' | N9 | C4 | C8 | 163.3° | 90.0° |
| C1' | N9 | C4 | N3 | 15.0° | 90.0° |
| C1' | N9 | C4 | C5 | 170.6° | 90.0° |
| C1' | N9 | C8 | N7 | 173.3° | 90.0° |
| C1' | N9 | C8 | H8 | 6.7° | 90.0° |
| H1' | C1' | N9 | C4 | 6.4° | 90.0° |
| H1' | C1' | N9 | C8 | 167.6° | 90.0° |
| N9 | C4 | N3 | C5 | 173.5° | 90.0° |
| N9 | C4 | N3 | C2 | 174.0° | 90.0° |
| N9 | C4 | C5 | C6 | 175.6° | 90.0° |
| N9 | C4 | C5 | N7 | 5.1° | 90.0° |
| C4 | N9 | C8 | N7 | 7.5° | 90.0° |
| C4 | N9 | C8 | H8 | 172.5° | 90.0° |
| C8 | N9 | C4 | N3 | 178.3° | 90.0° |
| C8 | N9 | C4 | C5 | 7.2° | 90.0° |
| N9 | C8 | N7 | C5 | 4.4° | 90.0° |
| N9 | C8 | N7 | H8 | 180.0° | 90.0° |
| C4 | N3 | C2 | N1 | 0.7° | 90.0° |
| C4 | N3 | C2 | H2 | 179.3° | 90.0° |
| N3 | C4 | C5 | C6 | 0.9° | 90.0° |
| N3 | C4 | C5 | N7 | 179.8° | 90.0° |
| C5 | C4 | N3 | C2 | 0.6° | 90.0° |
| C4 | C5 | C6 | N1 | 0.0° | 90.0° |
| C4 | C5 | C6 | N6 | 179.4° | 90.0° |
| C4 | C5 | C6 | N7 | 179.1° | 90.0° |
| C4 | C5 | N7 | C8 | 0.7° | 90.0° |
| N3 | C2 | N1 | H2 | 180.0° | 90.0° |
| N3 | C2 | N1 | C6 | 1.5° | 90.0° |
| C2 | N1 | C6 | N6 | 179.5° | 90.0° |
| C2 | N1 | C6 | C5 | 1.0° | 90.0° |
| H2 | C2 | N1 | C6 | 178.5° | 90.0° |
| N1 | C6 | N6 | C5 | 179.5° | 90.0° |
| N1 | C6 | N6 | HN61 | 7.9° | 90.0° |
| N1 | C6 | N6 | HN62 | 112.0° | 90.0° |
| N1 | C6 | C5 | N7 | 179.1° | 90.0° |
| C6 | N6 | HN61 | HN62 | 120.0° | 90.0° |
| N6 | C6 | C5 | N7 | 0.3° | 90.0° |
| C5 | C6 | N6 | HN61 | 171.5° | 90.0° |
| C5 | C6 | N6 | HN62 | 68.5° | 90.0° |
| C6 | C5 | N7 | C8 | 179.8° | 90.0° |
| C5 | N7 | C8 | H8 | 175.6° | 90.0° |
| OB2 | PB | C3B | OB1 | 118.1° | 90.0° |
| OB2 | PB | C3B | H3B1 | 18.0° | 90.0° |
| OB2 | PB | C3B | H3B2 | 139.0° | 90.0° |
| OB2 | PB | OB1 | HB1 | 54.8° | 90.0° |
| PB | C3B | H3B1 | H3B2 | 119.3° | 90.0° |
| C3B | PB | OB1 | HB1 | 60.2° | 90.0° |
| OB1 | PB | C3B | H3B1 | 136.1° | 90.0° |
| OB1 | PB | C3B | H3B2 | 102.9° | 90.0° |
