MAP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PG | O1G | doub | 1.48Å | 1.49Å | |
| PG | O2G | sing | 1.61Å | 1.50Å | |
| PG | O3G | sing | 1.61Å | 1.49Å | |
| PG | N3B | sing | 1.68Å | 1.88Å | |
| O2G | HOG2 | sing | 0.97Å | 0.95Å | |
| O3G | HOG3 | sing | 0.97Å | 0.95Å | |
| PB | O1B | doub | 1.48Å | 1.50Å | |
| PB | O2B | sing | 1.61Å | 1.49Å | |
| PB | N3B | sing | 1.68Å | 1.78Å | |
| PB | O3A | sing | 1.61Å | 1.53Å | |
| O2B | HOB2 | sing | 0.97Å | 0.95Å | |
| N3B | HNB1 | sing | 1.01Å | 1.00Å | |
| PA | O1A | doub | 1.48Å | 1.47Å | |
| PA | O2A | sing | 1.61Å | 1.49Å | |
| PA | O3A | sing | 1.61Å | 1.55Å | |
| PA | O5' | sing | 1.61Å | 1.60Å | |
| O2A | MG | sing | 1.84Å | 2.19Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.47Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C1' | sing | 1.55Å | 1.51Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.47Å | 1.50Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.36Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O2G | 111.8° | 109.4° |
| O1G | PG | O3G | 109.7° | 109.4° |
| O1G | PG | N3B | 113.1° | 109.5° |
| O2G | PG | O3G | 110.9° | 109.5° |
| O2G | PG | N3B | 104.7° | 109.5° |
| PG | O2G | HOG2 | 109.5° | 114.0° |
| O3G | PG | N3B | 106.4° | 109.5° |
| PG | O3G | HOG3 | 109.5° | 114.0° |
| PG | N3B | PB | 125.6° | 111.0° |
| PG | N3B | HNB1 | 105.3° | 111.1° |
| O1B | PB | O2B | 108.1° | 109.4° |
| O1B | PB | N3B | 104.8° | 109.5° |
| O1B | PB | O3A | 113.0° | 109.5° |
| O2B | PB | N3B | 108.8° | 109.5° |
| O2B | PB | O3A | 116.0° | 109.5° |
| PB | O2B | HOB2 | 109.5° | 114.0° |
| N3B | PB | O3A | 105.5° | 109.5° |
| PB | N3B | HNB1 | 105.3° | 111.0° |
| PB | O3A | PA | 136.8° | 134.0° |
| O1A | PA | O2A | 109.6° | 109.5° |
| O1A | PA | O3A | 120.4° | 109.5° |
| O1A | PA | O5' | 100.8° | 109.5° |
| O2A | PA | O3A | 119.1° | 109.4° |
| O2A | PA | O5' | 98.3° | 109.4° |
| PA | O2A | MG | 121.3° | 114.0° |
| O3A | PA | O5' | 103.7° | 109.5° |
| PA | O5' | C5' | 130.9° | 123.0° |
| O5' | C5' | C4' | 103.2° | 109.5° |
| O5' | C5' | H5'1 | 111.0° | 109.5° |
| O5' | C5' | H5'2 | 111.0° | 109.5° |
| C4' | C5' | H5'1 | 111.0° | 109.5° |
| C4' | C5' | H5'2 | 111.0° | 109.4° |
| C5' | C4' | O4' | 105.4° | 109.9° |
| C5' | C4' | C3' | 116.9° | 109.9° |
| C5' | C4' | H4' | 109.5° | 109.9° |
| H5'1 | C5' | H5'2 | 109.5° | 109.5° |
| O4' | C4' | C3' | 104.2° | 107.3° |
| O4' | C4' | H4' | 110.9° | 109.9° |
| C4' | O4' | C1' | 105.0° | 107.0° |
| C3' | C4' | H4' | 109.7° | 110.0° |
| C4' | C3' | O3' | 114.1° | 110.5° |
| C4' | C3' | C2' | 97.1° | 104.1° |
| C4' | C3' | H3' | 112.2° | 110.5° |
| O4' | C1' | C2' | 100.9° | 103.5° |
| O4' | C1' | N9 | 114.3° | 110.6° |
| O4' | C1' | H1' | 110.4° | 110.7° |
| O3' | C3' | C2' | 107.1° | 110.5° |
| O3' | C3' | H3' | 113.0° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C2' | C3' | H3' | 112.1° | 110.6° |
| C3' | C2' | O2' | 106.8° | 110.8° |
| C3' | C2' | C1' | 91.6° | 102.1° |
| C3' | C2' | H2' | 113.6° | 111.0° |
| O2' | C2' | C1' | 113.2° | 110.9° |
| O2' | C2' | H2' | 115.2° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C1' | C2' | H2' | 113.9° | 111.0° |
| C2' | C1' | N9 | 111.8° | 110.6° |
| C2' | C1' | H1' | 109.4° | 110.7° |
| N9 | C1' | H1' | 109.6° | 110.6° |
| C1' | N9 | C8 | 130.9° | 126.2° |
| C1' | N9 | C4 | 122.4° | 126.3° |
| C8 | N9 | C4 | 105.2° | 107.4° |
| N9 | C8 | N7 | 113.8° | 110.0° |
| N9 | C8 | H8 | 123.1° | 125.0° |
| N9 | C4 | C5 | 106.4° | 106.0° |
| N9 | C4 | N3 | 125.7° | 134.9° |
| N7 | C8 | H8 | 123.1° | 125.0° |
| C8 | N7 | C5 | 103.3° | 109.4° |
| N7 | C5 | C6 | 131.9° | 134.7° |
| N7 | C5 | C4 | 111.2° | 107.2° |
| C6 | C5 | C4 | 116.8° | 118.1° |
| C5 | C6 | N6 | 122.2° | 120.7° |
| C5 | C6 | N1 | 117.5° | 118.4° |
| C5 | C4 | N3 | 127.9° | 119.1° |
| N6 | C6 | N1 | 120.2° | 120.8° |
| C6 | N6 | HN61 | 109.5° | 120.0° |
| C6 | N6 | HN62 | 109.5° | 120.0° |
| C6 | N1 | C2 | 118.6° | 121.2° |
| HN61 | N6 | HN62 | 109.5° | 120.0° |
| N1 | C2 | N3 | 129.4° | 122.4° |
| N1 | C2 | H2 | 115.3° | 118.8° |
| N3 | C2 | H2 | 115.3° | 118.8° |
| C2 | N3 | C4 | 109.7° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3G | 122.8° | 119.9° |
| O1G | PG | O2G | N3B | 122.8° | 120.0° |
| O1G | PG | O3G | N3B | 122.7° | 120.0° |
| O1G | PG | O2G | HOG2 | 0.0° | 60.0° |
| O1G | PG | O3G | HOG3 | 0.0° | 180.0° |
| O1G | PG | N3B | PB | 53.6° | 60.0° |
| O1G | PG | N3B | HNB1 | 68.6° | 63.9° |
| O2G | PG | O3G | N3B | 113.3° | 120.1° |
| O2G | PG | O3G | HOG3 | 124.0° | 60.0° |
| O2G | PG | N3B | PB | 68.4° | 180.0° |
| O2G | PG | N3B | HNB1 | 169.5° | 56.0° |
| O3G | PG | O2G | HOG2 | 122.8° | 59.9° |
| O3G | PG | N3B | PB | 174.1° | 60.0° |
| O3G | PG | N3B | HNB1 | 52.0° | 176.1° |
| N3B | PG | O2G | HOG2 | 122.8° | 180.0° |
| N3B | PG | O3G | HOG3 | 122.7° | 60.0° |
| PG | N3B | PB | O1B | 17.3° | 60.0° |
| PG | N3B | PB | O2B | 132.7° | 59.9° |
| PG | N3B | PB | HNB1 | 122.2° | 124.0° |
| PG | N3B | PB | O3A | 102.2° | 180.0° |
| O1B | PB | O2B | N3B | 113.3° | 120.0° |
| O1B | PB | O2B | O3A | 128.1° | 120.0° |
| O1B | PB | N3B | O3A | 119.5° | 120.1° |
| O1B | PB | O2B | HOB2 | 0.0° | 180.0° |
| O1B | PB | N3B | HNB1 | 139.4° | 64.0° |
| O1B | PB | O3A | PA | 46.3° | 59.9° |
| O2B | PB | N3B | O3A | 125.0° | 120.0° |
| O2B | PB | N3B | HNB1 | 105.1° | 176.1° |
| O2B | PB | O3A | PA | 171.9° | 60.0° |
| N3B | PB | O2B | HOB2 | 113.3° | 60.0° |
| N3B | PB | O3A | PA | 67.6° | 179.9° |
| O3A | PB | O2B | HOB2 | 128.1° | 60.0° |
| O3A | PB | N3B | HNB1 | 19.9° | 56.0° |
| PB | O3A | PA | O1A | 108.0° | 44.9° |
| PB | O3A | PA | O2A | 32.6° | 75.1° |
| PB | O3A | PA | O5' | 140.5° | 165.0° |
| O1A | PA | O2A | O3A | 144.5° | 120.0° |
| O1A | PA | O2A | O5' | 104.7° | 120.0° |
| O1A | PA | O3A | O5' | 111.5° | 120.0° |
| O1A | PA | O2A | MG | 116.3° | 180.0° |
| O1A | PA | O5' | C5' | 153.0° | 55.0° |
| O2A | PA | O3A | O5' | 107.8° | 120.0° |
| O2A | PA | O5' | C5' | 95.0° | 65.0° |
| O3A | PA | O2A | MG | 28.2° | 60.0° |
| O3A | PA | O5' | C5' | 27.8° | 175.1° |
| O5' | PA | O2A | MG | 139.1° | 60.0° |
| PA | O5' | C5' | C4' | 153.3° | 180.0° |
| PA | O5' | C5' | H5'1 | 87.7° | 60.0° |
| PA | O5' | C5' | H5'2 | 34.3° | 60.0° |
| O5' | C5' | C4' | H5'1 | 119.0° | 120.1° |
| O5' | C5' | C4' | H5'2 | 119.0° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 122.9° | 120.0° |
| O5' | C5' | C4' | O4' | 66.0° | 66.5° |
| O5' | C5' | C4' | C3' | 178.9° | 175.7° |
| O5' | C5' | C4' | H4' | 53.3° | 54.5° |
| C4' | C5' | H5'1 | H5'2 | 122.9° | 120.0° |
| C5' | C4' | O4' | C3' | 123.6° | 119.4° |
| C5' | C4' | O4' | H4' | 118.4° | 121.0° |
| C5' | C4' | C3' | H4' | 125.4° | 121.1° |
| C5' | C4' | O4' | C1' | 120.9° | 145.9° |
| C5' | C4' | C3' | O3' | 171.2° | 119.9° |
| C5' | C4' | C3' | C2' | 76.4° | 121.4° |
| C5' | C4' | C3' | H3' | 41.0° | 2.7° |
| H5'1 | C5' | C4' | O4' | 53.0° | 53.5° |
| H5'1 | C5' | C4' | C3' | 62.2° | 64.3° |
| H5'1 | C5' | C4' | H4' | 172.3° | 174.6° |
| H5'2 | C5' | C4' | O4' | 175.0° | 173.5° |
| H5'2 | C5' | C4' | C3' | 59.9° | 55.7° |
| H5'2 | C5' | C4' | H4' | 65.6° | 65.4° |
| O4' | C4' | C3' | H4' | 118.7° | 119.5° |
| O4' | C4' | C3' | O3' | 73.0° | 120.7° |
| O4' | C4' | C3' | C2' | 39.4° | 2.0° |
| O4' | C4' | C3' | H3' | 156.8° | 116.7° |
| C4' | O4' | C1' | C2' | 35.8° | 40.1° |
| C4' | O4' | C1' | N9 | 156.0° | 158.6° |
| C4' | O4' | C1' | H1' | 79.9° | 78.5° |
| C3' | C4' | O4' | C1' | 2.7° | 26.5° |
| C4' | C3' | O3' | C2' | 106.3° | 114.7° |
| C4' | C3' | O3' | H3' | 129.8° | 122.6° |
| C4' | C3' | C2' | H3' | 117.5° | 118.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 172.5° | 139.1° |
| C4' | C3' | C2' | C1' | 57.6° | 20.9° |
| C4' | C3' | C2' | H2' | 59.4° | 97.4° |
| H4' | C4' | O4' | C1' | 120.7° | 93.0° |
| H4' | C4' | C3' | O3' | 45.8° | 1.2° |
| H4' | C4' | C3' | C2' | 158.2° | 117.5° |
| H4' | C4' | C3' | H3' | 84.4° | 123.7° |
| O4' | C1' | C2' | C3' | 58.2° | 37.1° |
| O4' | C1' | C2' | O2' | 167.3° | 155.2° |
| O4' | C1' | C2' | N9 | 122.0° | 118.5° |
| O4' | C1' | C2' | H1' | 116.4° | 118.6° |
| O4' | C1' | C2' | H2' | 58.6° | 81.2° |
| O4' | C1' | N9 | H1' | 124.6° | 123.0° |
| O4' | C1' | N9 | C8 | 95.6° | 23.5° |
| O4' | C1' | N9 | C4 | 100.1° | 156.7° |
| O3' | C3' | C2' | H3' | 124.5° | 122.7° |
| O3' | C3' | C2' | O2' | 54.5° | 20.4° |
| O3' | C3' | C2' | C1' | 60.4° | 97.7° |
| O3' | C3' | C2' | H2' | 177.4° | 144.0° |
| C2' | C3' | O3' | HO3' | 73.7° | 65.3° |
| C3' | C2' | O2' | C1' | 99.3° | 112.7° |
| C3' | C2' | O2' | H2' | 127.2° | 123.6° |
| C3' | C2' | C1' | H2' | 116.8° | 118.3° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.5° |
| C3' | C2' | C1' | N9 | 179.8° | 155.6° |
| C3' | C2' | C1' | H1' | 58.2° | 81.5° |
| H3' | C3' | O3' | HO3' | 50.2° | 57.4° |
| H3' | C3' | C2' | O2' | 70.0° | 102.3° |
| H3' | C3' | C2' | C1' | 175.2° | 139.6° |
| H3' | C3' | C2' | H2' | 58.2° | 21.3° |
| O2' | C2' | C1' | H2' | 134.2° | 123.6° |
| O2' | C2' | C1' | N9 | 70.8° | 86.3° |
| O2' | C2' | C1' | H1' | 50.9° | 36.6° |
| C1' | C2' | O2' | HO2' | 80.7° | 174.1° |
| C2' | C1' | N9 | H1' | 121.5° | 123.0° |
| C2' | C1' | N9 | C8 | 18.3° | 90.5° |
| C2' | C1' | N9 | C4 | 146.0° | 89.2° |
| H2' | C2' | O2' | HO2' | 52.8° | 62.2° |
| H2' | C2' | C1' | N9 | 63.4° | 37.3° |
| H2' | C2' | C1' | H1' | 175.0° | 160.2° |
| C1' | N9 | C8 | C4 | 166.4° | 179.8° |
| C1' | N9 | C8 | N7 | 164.5° | 180.0° |
| C1' | N9 | C8 | H8 | 15.4° | 0.0° |
| C1' | N9 | C4 | C5 | 165.4° | 179.8° |
| C1' | N9 | C4 | N3 | 12.3° | 0.7° |
| H1' | C1' | N9 | C8 | 139.8° | 146.5° |
| H1' | C1' | N9 | C4 | 24.5° | 33.7° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.4° | 0.0° |
| C8 | N9 | C4 | C5 | 2.4° | 0.4° |
| C8 | N9 | C4 | N3 | 179.9° | 179.5° |
| C4 | N9 | C8 | N7 | 1.8° | 0.2° |
| C4 | N9 | C8 | H8 | 178.2° | 179.8° |
| N9 | C4 | C5 | N7 | 2.3° | 0.4° |
| N9 | C4 | C5 | C6 | 176.7° | 179.8° |
| N9 | C4 | C5 | N3 | 177.6° | 179.3° |
| N9 | C4 | N3 | C2 | 177.8° | 179.6° |
| C8 | N7 | C5 | C6 | 177.6° | 180.0° |
| C8 | N7 | C5 | C4 | 1.2° | 0.3° |
| H8 | C8 | N7 | C5 | 179.6° | 180.0° |
| N7 | C5 | C6 | C4 | 178.7° | 179.7° |
| N7 | C5 | C6 | N6 | 2.9° | 0.0° |
| N7 | C5 | C6 | N1 | 178.6° | 179.9° |
| N7 | C5 | C4 | N3 | 179.9° | 179.7° |
| C5 | C6 | N6 | N1 | 178.5° | 180.0° |
| C5 | C6 | N6 | HN61 | 178.5° | 0.0° |
| C5 | C6 | N6 | HN62 | 61.5° | 180.0° |
| C5 | C6 | N1 | C2 | 2.9° | 0.0° |
| C6 | C5 | C4 | N3 | 0.9° | 0.6° |
| C4 | C5 | C6 | N6 | 175.8° | 179.7° |
| C4 | C5 | C6 | N1 | 2.7° | 0.2° |
| C5 | C4 | N3 | C2 | 0.6° | 0.6° |
| C6 | N6 | HN61 | HN62 | 120.0° | 180.0° |
| N6 | C6 | N1 | C2 | 175.6° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.0° | 180.0° |
| N1 | C6 | N6 | HN62 | 120.0° | 0.0° |
| C6 | N1 | C2 | N3 | 1.4° | 0.0° |
| C6 | N1 | C2 | H2 | 178.6° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.3° |
| H2 | C2 | N3 | C4 | 179.6° | 179.7° |
