MGP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | sing | 1.61Å | 1.50Å | |
| PA | O2A | doub | 1.48Å | 1.48Å | |
| PA | O3A | sing | 1.61Å | 1.63Å | |
| PA | O5' | sing | 1.61Å | 1.65Å | |
| O3A | PB | sing | 1.61Å | 1.61Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| PB | O1B | sing | 1.61Å | 1.48Å | |
| PB | O2B | doub | 1.48Å | 1.48Å | |
| PB | O3B | sing | 1.61Å | 1.48Å | |
| O3B | PC | sing | 1.61Å | 1.60Å | |
| PC | O1C | sing | 1.61Å | 1.51Å | |
| PC | O2C | doub | 1.48Å | 1.49Å | |
| PC | O3C | sing | 1.61Å | 1.49Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.47Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.45Å | |
| C3' | O3' | sing | 1.43Å | 1.45Å | |
| C3' | C2' | sing | 1.55Å | 1.55Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.46Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | CM7 | sing | 1.46Å | 1.46Å | |
| N7 | C5 | sing | 1.36Å | 1.48Å | Aromatic |
| CM7 | HM7 | sing | 1.09Å | 1.10Å | |
| CM7 | HM7A | sing | 1.09Å | 1.10Å | |
| CM7 | HM7B | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.41Å | 1.29Å | |
| C5 | C4 | doub | 1.40Å | 1.44Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.29Å | |
| C6 | N1 | sing | 1.35Å | 1.42Å | |
| N1 | C2 | sing | 1.36Å | 1.40Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | N2 | sing | 1.37Å | 1.31Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.34Å | 1.39Å | |
| O1A | H16 | sing | 0.97Å | 0.95Å | |
| O1B | H17 | sing | 0.97Å | 0.95Å | |
| O1C | H18 | sing | 0.97Å | 0.95Å | |
| O3C | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 107.0° | 109.5° |
| O1A | PA | O3A | 110.0° | 109.5° |
| O1A | PA | O5' | 110.6° | 109.5° |
| PA | O1A | H16 | 109.5° | 114.0° |
| O2A | PA | O3A | 108.8° | 109.5° |
| O2A | PA | O5' | 108.4° | 109.4° |
| O3A | PA | O5' | 111.8° | 109.5° |
| PA | O3A | PB | 126.6° | 134.0° |
| PA | O5' | C5' | 123.8° | 123.0° |
| O3A | PB | O1B | 111.9° | 109.4° |
| O3A | PB | O2B | 106.5° | 109.5° |
| O3A | PB | O3B | 110.4° | 109.5° |
| O5' | C5' | C4' | 116.4° | 109.4° |
| O5' | C5' | H5' | 107.2° | 109.5° |
| O5' | C5' | H5'A | 105.7° | 109.5° |
| O1B | PB | O2B | 109.3° | 109.5° |
| O1B | PB | O3B | 109.4° | 109.5° |
| PB | O1B | H17 | 109.5° | 114.0° |
| O2B | PB | O3B | 109.3° | 109.5° |
| PB | O3B | PC | 145.1° | 134.0° |
| O3B | PC | O1C | 104.9° | 109.5° |
| O3B | PC | O2C | 112.7° | 109.5° |
| O3B | PC | O3C | 103.1° | 109.5° |
| O1C | PC | O2C | 111.9° | 109.4° |
| O1C | PC | O3C | 111.8° | 109.5° |
| PC | O1C | H18 | 109.5° | 114.1° |
| O2C | PC | O3C | 111.9° | 109.5° |
| PC | O3C | H19 | 109.5° | 114.0° |
| C4' | C5' | H5' | 107.2° | 109.5° |
| C4' | C5' | H5'A | 105.7° | 109.5° |
| C5' | C4' | O4' | 108.6° | 109.9° |
| C5' | C4' | C3' | 117.3° | 109.9° |
| C5' | C4' | H4' | 102.4° | 109.9° |
| H5' | C5' | H5'A | 115.0° | 109.5° |
| O4' | C4' | C3' | 100.7° | 107.3° |
| O4' | C4' | H4' | 118.6° | 109.9° |
| C4' | O4' | C1' | 110.0° | 107.0° |
| C3' | C4' | H4' | 110.1° | 110.0° |
| C4' | C3' | O3' | 111.3° | 110.5° |
| C4' | C3' | C2' | 101.2° | 104.2° |
| C4' | C3' | H3' | 113.7° | 110.5° |
| O4' | C1' | C2' | 105.2° | 103.5° |
| O4' | C1' | N9 | 101.0° | 110.6° |
| O4' | C1' | H1' | 120.0° | 110.6° |
| O3' | C3' | C2' | 109.6° | 110.5° |
| O3' | C3' | H3' | 106.0° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C2' | C3' | H3' | 115.3° | 110.5° |
| C3' | C2' | O2' | 115.2° | 110.9° |
| C3' | C2' | C1' | 100.0° | 102.1° |
| C3' | C2' | H2' | 113.0° | 110.9° |
| O2' | C2' | C1' | 112.1° | 110.9° |
| O2' | C2' | H2' | 101.1° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C1' | C2' | H2' | 116.1° | 111.0° |
| C2' | C1' | N9 | 116.6° | 110.6° |
| C2' | C1' | H1' | 105.3° | 110.6° |
| N9 | C1' | H1' | 109.3° | 110.7° |
| C1' | N9 | C8 | 133.7° | 126.3° |
| C1' | N9 | C4 | 117.4° | 126.3° |
| C8 | N9 | C4 | 109.0° | 107.5° |
| N9 | C8 | N7 | 109.2° | 109.8° |
| N9 | C8 | H8 | 125.4° | 125.1° |
| N9 | C4 | C5 | 111.2° | 106.1° |
| N9 | C4 | N3 | 125.6° | 134.2° |
| N7 | C8 | H8 | 125.4° | 125.1° |
| C8 | N7 | CM7 | 125.4° | 125.3° |
| C8 | N7 | C5 | 112.3° | 109.3° |
| CM7 | N7 | C5 | 122.3° | 125.4° |
| N7 | CM7 | HM7 | 109.5° | 109.5° |
| N7 | CM7 | HM7A | 109.4° | 109.4° |
| N7 | CM7 | HM7B | 109.4° | 109.5° |
| N7 | C5 | C6 | 137.6° | 134.1° |
| N7 | C5 | C4 | 98.4° | 107.3° |
| HM7 | CM7 | HM7A | 109.4° | 109.5° |
| HM7 | CM7 | HM7B | 109.5° | 109.5° |
| HM7A | CM7 | HM7B | 109.5° | 109.5° |
| C6 | C5 | C4 | 124.0° | 118.6° |
| C5 | C6 | O6 | 123.7° | 120.8° |
| C5 | C6 | N1 | 111.7° | 118.3° |
| C5 | C4 | N3 | 123.2° | 119.7° |
| O6 | C6 | N1 | 124.6° | 120.9° |
| C6 | N1 | C2 | 125.8° | 120.3° |
| C6 | N1 | HN1 | 117.1° | 119.8° |
| C2 | N1 | HN1 | 117.1° | 119.8° |
| N1 | C2 | N2 | 119.6° | 119.1° |
| N1 | C2 | N3 | 121.7° | 121.9° |
| N2 | C2 | N3 | 118.7° | 119.0° |
| C2 | N2 | HN2 | 109.9° | 120.0° |
| C2 | N2 | HN2A | 125.1° | 120.1° |
| C2 | N3 | C4 | 113.5° | 121.1° |
| HN2 | N2 | HN2A | 125.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O3A | 118.9° | 120.0° |
| O1A | PA | O2A | O5' | 119.3° | 120.0° |
| O1A | PA | O3A | O5' | 123.3° | 120.0° |
| O1A | PA | O3A | PB | 76.2° | 75.0° |
| O1A | PA | O5' | C5' | 30.6° | 65.0° |
| O2A | PA | O3A | O5' | 119.7° | 120.0° |
| O2A | PA | O3A | PB | 166.8° | 45.0° |
| O2A | PA | O5' | C5' | 147.7° | 55.0° |
| O2A | PA | O1A | H16 | 111.6° | 180.0° |
| O3A | PA | O5' | C5' | 92.4° | 175.0° |
| PA | O3A | PB | O1B | 59.4° | 80.0° |
| PA | O3A | PB | O2B | 178.7° | 40.0° |
| PA | O3A | PB | O3B | 62.8° | 160.0° |
| O3A | PA | O1A | H16 | 130.3° | 60.0° |
| O5' | PA | O3A | PB | 47.1° | 165.0° |
| PA | O5' | C5' | C4' | 132.8° | 180.0° |
| PA | O5' | C5' | H5' | 107.2° | 60.0° |
| PA | O5' | C5' | H5'A | 15.9° | 60.1° |
| O5' | PA | O1A | H16 | 6.2° | 60.1° |
| O3A | PB | O1B | O2B | 117.7° | 120.0° |
| O3A | PB | O1B | O3B | 122.7° | 120.0° |
| O3A | PB | O2B | O3B | 119.2° | 120.0° |
| O3A | PB | O3B | PC | 89.2° | 165.1° |
| O3A | PB | O1B | H17 | 165.0° | 60.0° |
| O5' | C5' | C4' | H5' | 120.0° | 120.0° |
| O5' | C5' | C4' | H5'A | 116.8° | 120.0° |
| O5' | C5' | H5' | H5'A | 117.2° | 120.0° |
| O5' | C5' | C4' | O4' | 73.1° | 66.5° |
| O5' | C5' | C4' | C3' | 40.2° | 175.7° |
| O5' | C5' | C4' | H4' | 160.7° | 54.6° |
| O1B | PB | O2B | O3B | 119.7° | 120.0° |
| O1B | PB | O3B | PC | 147.2° | 75.0° |
| O2B | PB | O3B | PC | 27.6° | 45.0° |
| O2B | PB | O1B | H17 | 47.4° | 180.0° |
| PB | O3B | PC | O1C | 155.8° | 160.0° |
| PB | O3B | PC | O2C | 82.2° | 40.0° |
| PB | O3B | PC | O3C | 38.6° | 79.9° |
| O3B | PB | O1B | H17 | 72.2° | 60.0° |
| O3B | PC | O1C | O2C | 122.5° | 120.0° |
| O3B | PC | O1C | O3C | 111.1° | 120.1° |
| O3B | PC | O2C | O3C | 115.7° | 120.0° |
| O3B | PC | O1C | H18 | 160.1° | 180.0° |
| O3B | PC | O3C | H19 | 48.7° | 60.0° |
| O1C | PC | O2C | O3C | 126.3° | 120.0° |
| O1C | PC | O3C | H19 | 63.5° | 60.0° |
| O2C | PC | O1C | H18 | 77.4° | 60.0° |
| O2C | PC | O3C | H19 | 170.1° | 180.0° |
| O3C | PC | O1C | H18 | 49.0° | 60.0° |
| C4' | C5' | H5' | H5'A | 117.2° | 120.0° |
| C5' | C4' | O4' | C3' | 123.8° | 119.4° |
| C5' | C4' | O4' | H4' | 116.1° | 121.0° |
| C5' | C4' | C3' | H4' | 116.4° | 121.1° |
| C5' | C4' | O4' | C1' | 152.4° | 146.0° |
| C5' | C4' | C3' | O3' | 81.1° | 119.9° |
| C5' | C4' | C3' | C2' | 162.6° | 121.4° |
| C5' | C4' | C3' | H3' | 38.4° | 2.7° |
| H5' | C5' | C4' | O4' | 166.9° | 53.5° |
| H5' | C5' | C4' | C3' | 79.8° | 64.3° |
| H5' | C5' | C4' | H4' | 40.8° | 174.5° |
| H5'A | C5' | C4' | O4' | 43.8° | 173.6° |
| H5'A | C5' | C4' | C3' | 157.0° | 55.7° |
| H5'A | C5' | C4' | H4' | 82.4° | 65.4° |
| O4' | C4' | C3' | H4' | 126.0° | 119.5° |
| O4' | C4' | C3' | O3' | 161.3° | 120.7° |
| O4' | C4' | C3' | C2' | 45.0° | 2.0° |
| O4' | C4' | C3' | H3' | 79.2° | 116.7° |
| C4' | O4' | C1' | C2' | 0.1° | 40.1° |
| C4' | O4' | C1' | N9 | 121.6° | 158.5° |
| C4' | O4' | C1' | H1' | 118.3° | 78.4° |
| C3' | C4' | O4' | C1' | 28.5° | 26.5° |
| C4' | C3' | O3' | C2' | 111.1° | 114.8° |
| C4' | C3' | O3' | H3' | 124.0° | 122.6° |
| C4' | C3' | C2' | H3' | 123.1° | 118.7° |
| C4' | C3' | O3' | HO3' | 149.7° | 180.0° |
| C4' | C3' | C2' | O2' | 75.4° | 139.1° |
| C4' | C3' | C2' | C1' | 45.0° | 20.9° |
| C4' | C3' | C2' | H2' | 169.1° | 97.3° |
| H4' | C4' | O4' | C1' | 91.5° | 93.0° |
| H4' | C4' | C3' | O3' | 35.4° | 1.2° |
| H4' | C4' | C3' | C2' | 81.0° | 117.5° |
| H4' | C4' | C3' | H3' | 154.9° | 123.8° |
| O4' | C1' | C2' | C3' | 27.6° | 37.1° |
| O4' | C1' | C2' | O2' | 95.0° | 155.2° |
| O4' | C1' | C2' | N9 | 111.0° | 118.5° |
| O4' | C1' | C2' | H1' | 127.7° | 118.5° |
| O4' | C1' | C2' | H2' | 149.5° | 81.2° |
| O4' | C1' | N9 | H1' | 127.4° | 123.0° |
| O4' | C1' | N9 | C8 | 19.7° | 23.5° |
| O4' | C1' | N9 | C4 | 160.1° | 156.7° |
| O3' | C3' | C2' | H3' | 119.4° | 122.6° |
| O3' | C3' | C2' | O2' | 42.2° | 20.4° |
| O3' | C3' | C2' | C1' | 162.6° | 97.8° |
| O3' | C3' | C2' | H2' | 73.4° | 144.0° |
| C2' | C3' | O3' | HO3' | 99.3° | 65.2° |
| C3' | C2' | O2' | C1' | 113.5° | 112.7° |
| C3' | C2' | O2' | H2' | 122.2° | 123.6° |
| C3' | C2' | C1' | H2' | 121.9° | 118.2° |
| C3' | C2' | O2' | HO2' | 78.1° | 61.4° |
| C3' | C2' | C1' | N9 | 83.3° | 155.5° |
| C3' | C2' | C1' | H1' | 155.3° | 81.4° |
| H3' | C3' | O3' | HO3' | 25.7° | 57.4° |
| H3' | C3' | C2' | O2' | 161.6° | 102.2° |
| H3' | C3' | C2' | C1' | 78.1° | 139.6° |
| H3' | C3' | C2' | H2' | 46.0° | 21.4° |
| O2' | C2' | C1' | H2' | 115.5° | 123.6° |
| O2' | C2' | C1' | N9 | 154.1° | 86.3° |
| O2' | C2' | C1' | H1' | 32.7° | 36.7° |
| C1' | C2' | O2' | HO2' | 168.4° | 174.1° |
| C2' | C1' | N9 | H1' | 119.2° | 123.0° |
| C2' | C1' | N9 | C8 | 93.6° | 90.5° |
| C2' | C1' | N9 | C4 | 86.5° | 89.3° |
| H2' | C2' | O2' | HO2' | 44.1° | 62.2° |
| H2' | C2' | C1' | N9 | 38.5° | 37.3° |
| H2' | C2' | C1' | H1' | 82.8° | 160.3° |
| C1' | N9 | C8 | C4 | 179.9° | 179.8° |
| C1' | N9 | C8 | N7 | 179.9° | 180.0° |
| C1' | N9 | C8 | H8 | 0.1° | 0.0° |
| C1' | N9 | C4 | C5 | 179.8° | 179.9° |
| C1' | N9 | C4 | N3 | 0.1° | 0.6° |
| H1' | C1' | N9 | C8 | 147.1° | 146.5° |
| H1' | C1' | N9 | C4 | 32.7° | 33.7° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | CM7 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | C5 | 0.0° | 0.3° |
| C8 | N9 | C4 | N3 | 180.0° | 179.6° |
| C4 | N9 | C8 | N7 | 0.0° | 0.2° |
| C4 | N9 | C8 | H8 | 180.0° | 179.8° |
| N9 | C4 | C5 | N7 | 0.1° | 0.3° |
| N9 | C4 | C5 | C6 | 180.0° | 179.9° |
| N9 | C4 | C5 | N3 | 179.9° | 179.4° |
| N9 | C4 | N3 | C2 | 179.9° | 179.7° |
| C8 | N7 | CM7 | C5 | 179.9° | 180.0° |
| C8 | N7 | CM7 | HM7 | 88.4° | 90.0° |
| C8 | N7 | CM7 | HM7A | 31.5° | 150.0° |
| C8 | N7 | CM7 | HM7B | 151.6° | 30.0° |
| C8 | N7 | C5 | C6 | 180.0° | 180.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.2° |
| H8 | C8 | N7 | CM7 | 0.0° | 0.0° |
| H8 | C8 | N7 | C5 | 179.9° | 180.0° |
| N7 | CM7 | HM7 | HM7A | 120.0° | 120.0° |
| N7 | CM7 | HM7 | HM7B | 120.0° | 120.0° |
| N7 | CM7 | HM7A | HM7B | 120.0° | 120.0° |
| CM7 | N7 | C5 | C6 | 0.0° | 0.0° |
| CM7 | N7 | C5 | C4 | 179.9° | 179.8° |
| C5 | N7 | CM7 | HM7 | 91.5° | 89.9° |
| C5 | N7 | CM7 | HM7A | 148.5° | 30.0° |
| C5 | N7 | CM7 | HM7B | 28.5° | 150.0° |
| N7 | C5 | C6 | C4 | 179.9° | 179.8° |
| N7 | C5 | C6 | O6 | 0.0° | 0.0° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| N7 | C5 | C4 | N3 | 180.0° | 179.7° |
| HM7 | CM7 | HM7A | HM7B | 120.0° | 120.0° |
| C5 | C6 | O6 | N1 | 179.9° | 179.9° |
| C5 | C6 | N1 | C2 | 0.1° | 0.1° |
| C5 | C6 | N1 | HN1 | 179.8° | 180.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.5° |
| C4 | C5 | C6 | O6 | 179.9° | 179.8° |
| C4 | C5 | C6 | N1 | 0.1° | 0.3° |
| C5 | C4 | N3 | C2 | 0.0° | 0.5° |
| O6 | C6 | N1 | C2 | 179.9° | 180.0° |
| O6 | C6 | N1 | HN1 | 0.1° | 0.0° |
| C6 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N2 | 179.9° | 179.9° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C2 | N2 | N3 | 180.0° | 180.0° |
| N1 | C2 | N2 | HN2 | 180.0° | 0.0° |
| N1 | C2 | N2 | HN2A | 0.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.3° |
| HN1 | N1 | C2 | N2 | 0.1° | 0.0° |
| HN1 | N1 | C2 | N3 | 179.9° | 180.0° |
| C2 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| N2 | C2 | N3 | C4 | 180.0° | 179.7° |
| N3 | C2 | N2 | HN2 | 0.0° | 179.9° |
| N3 | C2 | N2 | HN2A | 180.0° | 0.0° |
