MG1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.62Å | 1.62Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| P | OP1 | doub | 1.50Å | 1.48Å | |
| P | OP2 | sing | 1.62Å | 1.48Å | |
| P | O5' | sing | 1.62Å | 1.61Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.42Å | |
| C5' | C4' | sing | 1.52Å | 1.54Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C4' | C3' | sing | 1.52Å | 1.54Å | |
| C4' | H4' | sing | 1.10Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.51Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.52Å | 1.53Å | |
| C2' | H2' | sing | 1.10Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | N9 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.10Å | 1.10Å | |
| N9 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.32Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.37Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.44Å | 1.42Å | |
| C6 | O6 | doub | 1.23Å | 1.23Å | |
| C6 | N1 | sing | 1.42Å | 1.40Å | |
| N1 | C2 | sing | 1.44Å | 1.40Å | |
| N1 | CM1 | sing | 1.46Å | 1.46Å | |
| CM1 | HM11 | sing | 1.09Å | 1.10Å | |
| CM1 | HM12 | sing | 1.09Å | 1.10Å | |
| CM1 | HM13 | sing | 1.09Å | 1.10Å | |
| C2 | N3 | doub | 1.32Å | 1.35Å | |
| C2 | N2 | sing | 1.38Å | 1.34Å | |
| N2 | H21 | sing | 0.99Å | 1.00Å | |
| N2 | H22 | sing | 0.99Å | 1.00Å | |
| N3 | C4 | sing | 1.35Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | OP3 | HOP3 | 109.5° | 118.9° |
| OP3 | P | OP1 | 107.7° | 115.3° |
| OP3 | P | OP2 | 109.8° | 103.3° |
| OP3 | P | O5' | 101.6° | 103.7° |
| OP1 | P | OP2 | 119.7° | 115.0° |
| OP1 | P | O5' | 108.4° | 115.0° |
| OP2 | P | O5' | 108.2° | 102.9° |
| P | OP2 | HOP2 | 109.5° | 118.9° |
| P | O5' | C5' | 122.3° | 118.5° |
| O5' | C5' | C4' | 107.6° | 108.7° |
| O5' | C5' | H5' | 110.1° | 109.2° |
| O5' | C5' | H5'' | 110.5° | 109.2° |
| C4' | C5' | H5' | 110.1° | 110.1° |
| C4' | C5' | H5'' | 110.5° | 110.1° |
| C5' | C4' | O4' | 108.8° | 108.0° |
| C5' | C4' | C3' | 112.6° | 112.7° |
| C5' | C4' | H4' | 107.5° | 109.4° |
| H5' | C5' | H5'' | 108.0° | 109.6° |
| O4' | C4' | C3' | 108.4° | 106.8° |
| O4' | C4' | H4' | 111.8° | 107.7° |
| C4' | O4' | C1' | 109.5° | 108.7° |
| C3' | C4' | H4' | 107.9° | 112.0° |
| C4' | C3' | O3' | 110.5° | 109.6° |
| C4' | C3' | C2' | 102.6° | 103.2° |
| C4' | C3' | H3' | 113.9° | 114.0° |
| O4' | C1' | C2' | 108.6° | 106.7° |
| O4' | C1' | N9 | 107.4° | 110.0° |
| O4' | C1' | H1' | 112.3° | 108.1° |
| O3' | C3' | C2' | 111.3° | 108.4° |
| O3' | C3' | H3' | 105.6° | 107.8° |
| C3' | O3' | HO3' | 109.5° | 106.5° |
| C2' | C3' | H3' | 113.1° | 113.7° |
| C3' | C2' | C1' | 102.1° | 101.6° |
| C3' | C2' | H2' | 112.0° | 110.0° |
| C3' | C2' | H2'' | 113.6° | 114.2° |
| C1' | C2' | H2' | 112.0° | 110.5° |
| C1' | C2' | H2'' | 113.6° | 111.7° |
| C2' | C1' | N9 | 112.0° | 114.3° |
| C2' | C1' | H1' | 107.7° | 111.7° |
| H2' | C2' | H2'' | 103.9° | 108.7° |
| N9 | C1' | H1' | 108.9° | 105.9° |
| C1' | N9 | C8 | 129.1° | 126.0° |
| C1' | N9 | C4 | 124.9° | 127.2° |
| C8 | N9 | C4 | 105.7° | 106.8° |
| N9 | C8 | N7 | 114.0° | 112.2° |
| N9 | C8 | H8 | 123.0° | 122.2° |
| N9 | C4 | C5 | 105.8° | 105.0° |
| N9 | C4 | N3 | 127.3° | 125.9° |
| N7 | C8 | H8 | 123.0° | 125.6° |
| C8 | N7 | C5 | 104.0° | 104.0° |
| N7 | C5 | C4 | 110.3° | 112.0° |
| N7 | C5 | C6 | 131.1° | 128.3° |
| C4 | C5 | C6 | 118.6° | 119.7° |
| C5 | C4 | N3 | 126.9° | 129.1° |
| C5 | C6 | O6 | 127.3° | 121.9° |
| C5 | C6 | N1 | 113.8° | 111.5° |
| O6 | C6 | N1 | 118.9° | 126.6° |
| C6 | N1 | C2 | 123.6° | 123.5° |
| C6 | N1 | CM1 | 115.3° | 118.3° |
| C2 | N1 | CM1 | 120.8° | 118.2° |
| N1 | C2 | N3 | 121.5° | 122.5° |
| N1 | C2 | N2 | 119.2° | 119.0° |
| N1 | CM1 | HM11 | 109.5° | 110.1° |
| N1 | CM1 | HM12 | 109.5° | 110.2° |
| N1 | CM1 | HM13 | 109.5° | 110.2° |
| HM11 | CM1 | HM12 | 109.5° | 108.8° |
| HM11 | CM1 | HM13 | 109.5° | 108.8° |
| HM12 | CM1 | HM13 | 109.5° | 108.7° |
| N3 | C2 | N2 | 118.9° | 118.5° |
| C2 | N3 | C4 | 114.6° | 113.8° |
| C2 | N2 | H21 | 110.1° | 117.9° |
| C2 | N2 | H22 | 124.9° | 117.9° |
| H21 | N2 | H22 | 125.0° | 124.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP1 | OP2 | 126.3° | 120.1° |
| OP3 | P | OP1 | O5' | 109.2° | 120.6° |
| OP3 | P | OP2 | O5' | 110.1° | 107.7° |
| OP3 | P | OP2 | HOP2 | 94.5° | 78.5° |
| OP3 | P | O5' | C5' | 55.3° | 53.2° |
| HOP3 | OP3 | P | OP1 | 141.9° | 48.8° |
| HOP3 | OP3 | P | OP2 | 86.1° | 77.5° |
| HOP3 | OP3 | P | O5' | 28.2° | 175.4° |
| OP1 | P | OP2 | O5' | 124.7° | 125.8° |
| OP1 | P | OP2 | HOP2 | 30.7° | 48.0° |
| OP1 | P | O5' | C5' | 168.5° | 180.0° |
| OP2 | P | O5' | C5' | 60.3° | 54.2° |
| O5' | P | OP2 | HOP2 | 155.4° | 173.9° |
| P | O5' | C5' | C4' | 171.6° | 180.0° |
| P | O5' | C5' | H5' | 51.5° | 59.9° |
| P | O5' | C5' | H5'' | 67.7° | 59.9° |
| O5' | C5' | C4' | H5' | 120.0° | 119.6° |
| O5' | C5' | C4' | H5'' | 120.7° | 119.5° |
| O5' | C5' | H5' | H5'' | 120.8° | 119.6° |
| O5' | C5' | C4' | O4' | 143.9° | 61.8° |
| O5' | C5' | C4' | C3' | 95.9° | 179.5° |
| O5' | C5' | C4' | H4' | 22.7° | 55.2° |
| C4' | C5' | H5' | H5'' | 120.7° | 121.2° |
| C5' | C4' | O4' | C3' | 122.7° | 121.5° |
| C5' | C4' | O4' | H4' | 118.5° | 118.0° |
| C5' | C4' | C3' | H4' | 118.4° | 123.8° |
| C5' | C4' | O4' | C1' | 116.8° | 116.0° |
| C5' | C4' | C3' | O3' | 143.3° | 152.1° |
| C5' | C4' | C3' | C2' | 97.9° | 92.6° |
| C5' | C4' | C3' | H3' | 24.7° | 31.2° |
| H5' | C5' | C4' | O4' | 23.9° | 57.8° |
| H5' | C5' | C4' | C3' | 144.0° | 60.0° |
| H5' | C5' | C4' | H4' | 97.3° | 174.7° |
| H5'' | C5' | C4' | O4' | 95.3° | 178.7° |
| H5'' | C5' | C4' | C3' | 24.8° | 60.9° |
| H5'' | C5' | C4' | H4' | 143.5° | 64.3° |
| O4' | C4' | C3' | H4' | 121.2° | 117.7° |
| O4' | C4' | C3' | O3' | 96.3° | 89.4° |
| O4' | C4' | C3' | C2' | 22.4° | 25.9° |
| O4' | C4' | C3' | H3' | 145.0° | 149.7° |
| C4' | O4' | C1' | C2' | 13.5° | 17.3° |
| C4' | O4' | C1' | N9 | 134.7° | 141.8° |
| C4' | O4' | C1' | H1' | 105.6° | 103.1° |
| C3' | C4' | O4' | C1' | 5.9° | 5.5° |
| C4' | C3' | O3' | C2' | 113.3° | 111.9° |
| C4' | C3' | O3' | H3' | 123.6° | 124.6° |
| C4' | C3' | C2' | H3' | 123.2° | 123.9° |
| C4' | C3' | O3' | HO3' | 51.8° | 102.5° |
| C4' | C3' | C2' | C1' | 28.5° | 34.8° |
| C4' | C3' | C2' | H2' | 91.5° | 82.2° |
| C4' | C3' | C2' | H2'' | 151.2° | 155.2° |
| H4' | C4' | O4' | C1' | 124.7° | 126.0° |
| H4' | C4' | C3' | O3' | 24.9° | 28.3° |
| H4' | C4' | C3' | C2' | 143.6° | 143.6° |
| H4' | C4' | C3' | H3' | 93.8° | 92.6° |
| O4' | C1' | C2' | C3' | 26.9° | 32.7° |
| O4' | C1' | C2' | N9 | 118.5° | 121.8° |
| O4' | C1' | C2' | H1' | 121.8° | 117.9° |
| O4' | C1' | C2' | H2' | 93.0° | 84.0° |
| O4' | C1' | C2' | H2'' | 149.6° | 154.9° |
| O4' | C1' | N9 | H1' | 121.8° | 116.5° |
| O4' | C1' | N9 | C8 | 71.4° | 33.5° |
| O4' | C1' | N9 | C4 | 101.4° | 146.6° |
| O3' | C3' | C2' | H3' | 118.7° | 119.9° |
| O3' | C3' | C2' | C1' | 89.6° | 81.3° |
| O3' | C3' | C2' | H2' | 150.4° | 161.6° |
| O3' | C3' | C2' | H2'' | 33.0° | 39.1° |
| C2' | C3' | O3' | HO3' | 165.0° | 145.5° |
| C3' | C2' | C1' | H2' | 120.0° | 116.7° |
| C3' | C2' | C1' | H2'' | 122.6° | 122.2° |
| C3' | C2' | H2' | H2'' | 123.0° | 125.7° |
| C3' | C2' | C1' | N9 | 145.4° | 154.5° |
| C3' | C2' | C1' | H1' | 94.9° | 85.2° |
| H3' | C3' | O3' | HO3' | 71.9° | 22.0° |
| H3' | C3' | C2' | C1' | 151.7° | 158.8° |
| H3' | C3' | C2' | H2' | 31.7° | 41.7° |
| H3' | C3' | C2' | H2'' | 85.7° | 80.8° |
| C1' | C2' | H2' | H2'' | 123.0° | 122.9° |
| C2' | C1' | N9 | H1' | 119.0° | 123.5° |
| C2' | C1' | N9 | C8 | 47.7° | 86.6° |
| C2' | C1' | N9 | C4 | 139.4° | 93.4° |
| H2' | C2' | C1' | N9 | 25.4° | 37.8° |
| H2' | C2' | C1' | H1' | 145.1° | 158.1° |
| H2'' | C2' | C1' | N9 | 92.0° | 83.3° |
| H2'' | C2' | C1' | H1' | 27.7° | 37.0° |
| C1' | N9 | C8 | C4 | 173.9° | 180.0° |
| C1' | N9 | C8 | N7 | 176.4° | 180.0° |
| C1' | N9 | C8 | H8 | 3.6° | 0.0° |
| C1' | N9 | C4 | C5 | 178.0° | 179.9° |
| C1' | N9 | C4 | N3 | 0.2° | 0.0° |
| H1' | C1' | N9 | C8 | 166.8° | 150.0° |
| H1' | C1' | N9 | C4 | 20.4° | 30.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.0° | 0.0° |
| C8 | N9 | C4 | C5 | 3.7° | 0.0° |
| C8 | N9 | C4 | N3 | 174.5° | 180.0° |
| C4 | N9 | C8 | N7 | 2.5° | 0.0° |
| C4 | N9 | C8 | H8 | 177.5° | 180.0° |
| N9 | C4 | C5 | N7 | 4.0° | 0.1° |
| N9 | C4 | C5 | N3 | 178.2° | 180.0° |
| N9 | C4 | C5 | C6 | 175.7° | 180.0° |
| N9 | C4 | N3 | C2 | 178.1° | 180.0° |
| C8 | N7 | C5 | C4 | 2.5° | 0.1° |
| C8 | N7 | C5 | C6 | 177.1° | 180.0° |
| H8 | C8 | N7 | C5 | 180.0° | 180.0° |
| N7 | C5 | C4 | C6 | 179.6° | 179.9° |
| N7 | C5 | C6 | O6 | 1.0° | 0.1° |
| N7 | C5 | C6 | N1 | 178.6° | 179.9° |
| N7 | C5 | C4 | N3 | 174.3° | 180.0° |
| C4 | C5 | C6 | O6 | 178.5° | 180.0° |
| C4 | C5 | C6 | N1 | 0.9° | 0.0° |
| C5 | C4 | N3 | C2 | 4.0° | 0.1° |
| C5 | C6 | O6 | N1 | 177.5° | 180.0° |
| C5 | C6 | N1 | C2 | 9.5° | 0.0° |
| C5 | C6 | N1 | CM1 | 164.6° | 180.0° |
| C6 | C5 | C4 | N3 | 6.1° | 0.1° |
| O6 | C6 | N1 | C2 | 172.6° | 179.9° |
| O6 | C6 | N1 | CM1 | 13.3° | 0.1° |
| C6 | N1 | C2 | CM1 | 173.8° | 180.0° |
| C6 | N1 | CM1 | HM11 | 78.2° | 46.4° |
| C6 | N1 | CM1 | HM12 | 161.8° | 73.6° |
| C6 | N1 | CM1 | HM13 | 41.8° | 166.3° |
| C6 | N1 | C2 | N3 | 12.3° | 0.0° |
| C6 | N1 | C2 | N2 | 160.0° | 180.0° |
| C2 | N1 | CM1 | HM11 | 96.1° | 133.6° |
| C2 | N1 | CM1 | HM12 | 23.9° | 106.4° |
| C2 | N1 | CM1 | HM13 | 143.9° | 13.6° |
| N1 | C2 | N3 | N2 | 172.3° | 180.0° |
| N1 | C2 | N2 | H21 | 7.5° | 164.4° |
| N1 | C2 | N2 | H22 | 172.5° | 15.5° |
| N1 | C2 | N3 | C4 | 4.9° | 0.0° |
| N1 | CM1 | HM11 | HM12 | 120.0° | 120.9° |
| N1 | CM1 | HM11 | HM13 | 120.0° | 120.8° |
| N1 | CM1 | HM12 | HM13 | 120.0° | 120.9° |
| CM1 | N1 | C2 | N3 | 161.6° | 180.0° |
| CM1 | N1 | C2 | N2 | 26.1° | 0.0° |
| HM11 | CM1 | HM12 | HM13 | 120.0° | 118.3° |
| N3 | C2 | N2 | H21 | 180.0° | 15.6° |
| N3 | C2 | N2 | H22 | 0.0° | 164.5° |
| C2 | N2 | H21 | H22 | 180.0° | 179.9° |
| N2 | C2 | N3 | C4 | 167.4° | 180.0° |
