M2G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.12Å | |
| C5' | H5'' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| 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 | 1.10Å | |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| C6 | N1 | sing | 1.35Å | 1.39Å | |
| N1 | C2 | sing | 1.36Å | 1.38Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C2 | N3 | doub | 1.31Å | 1.32Å | |
| N2 | CM1 | sing | 1.47Å | 1.48Å | |
| N2 | CM2 | sing | 1.47Å | 1.47Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å | |
| CM1 | HM11 | sing | 1.09Å | 1.11Å | |
| CM1 | HM12 | sing | 1.09Å | 1.12Å | |
| CM1 | HM13 | sing | 1.09Å | 1.12Å | |
| CM2 | HM21 | sing | 1.09Å | 1.11Å | |
| CM2 | HM22 | sing | 1.09Å | 1.11Å | |
| CM2 | HM23 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.5° | 109.5° |
| OP1 | P | OP3 | 109.4° | 109.5° |
| OP1 | P | O5' | 108.2° | 109.5° |
| OP2 | P | OP3 | 105.8° | 109.4° |
| OP2 | P | O5' | 107.6° | 109.5° |
| P | OP2 | HOP2 | 119.5° | 106.8° |
| OP3 | P | O5' | 105.4° | 109.5° |
| P | OP3 | HOP3 | 109.3° | 106.8° |
| P | O5' | C5' | 120.6° | 106.8° |
| O5' | C5' | C4' | 110.2° | 109.5° |
| O5' | C5' | H5' | 112.0° | 109.4° |
| O5' | C5' | H5'' | 112.0° | 109.5° |
| C4' | C5' | H5' | 111.9° | 109.5° |
| C4' | C5' | H5'' | 111.9° | 109.4° |
| C5' | C4' | O4' | 110.0° | 110.4° |
| C5' | C4' | C3' | 114.8° | 110.5° |
| C5' | C4' | H4' | 103.6° | 110.3° |
| H5' | C5' | H5'' | 98.5° | 109.4° |
| O4' | C4' | C3' | 103.0° | 104.8° |
| O4' | C4' | H4' | 115.3° | 110.4° |
| C4' | O4' | C1' | 109.3° | 105.3° |
| C3' | C4' | H4' | 110.5° | 110.3° |
| C4' | C3' | O3' | 110.4° | 110.6° |
| C4' | C3' | C2' | 101.3° | 104.1° |
| C4' | C3' | H3' | 114.8° | 110.5° |
| O4' | C1' | C2' | 106.5° | 104.9° |
| O4' | C1' | N9 | 108.4° | 110.4° |
| O4' | C1' | H1' | 113.6° | 110.4° |
| O3' | C3' | C2' | 111.3° | 110.5° |
| O3' | C3' | H3' | 105.3° | 110.5° |
| C3' | O3' | HO3' | 110.4° | 106.8° |
| C2' | C3' | H3' | 113.9° | 110.5° |
| C3' | C2' | O2' | 111.8° | 110.5° |
| C3' | C2' | C1' | 100.3° | 104.0° |
| C3' | C2' | H2' | 113.7° | 110.5° |
| O2' | C2' | C1' | 109.0° | 110.8° |
| O2' | C2' | H2' | 105.7° | 110.5° |
| C2' | O2' | HO2' | 111.9° | 106.8° |
| C1' | C2' | H2' | 116.4° | 110.4° |
| C2' | C1' | N9 | 113.3° | 110.4° |
| C2' | C1' | H1' | 108.5° | 110.4° |
| N9 | C1' | H1' | 106.7° | 110.3° |
| C1' | N9 | C8 | 127.4° | 126.2° |
| C1' | N9 | C4 | 126.1° | 126.3° |
| C8 | N9 | C4 | 106.5° | 107.5° |
| N9 | C8 | N7 | 113.2° | 109.8° |
| N9 | C8 | H8 | 125.9° | 125.1° |
| N9 | C4 | C5 | 105.5° | 106.1° |
| N9 | C4 | N3 | 125.7° | 134.2° |
| N7 | C8 | H8 | 120.9° | 125.1° |
| C8 | N7 | C5 | 103.9° | 109.3° |
| N7 | C5 | C6 | 130.0° | 134.2° |
| N7 | C5 | C4 | 110.9° | 107.2° |
| C6 | C5 | C4 | 119.1° | 118.6° |
| C5 | C6 | O6 | 128.0° | 120.8° |
| C5 | C6 | N1 | 111.7° | 118.3° |
| C5 | C4 | N3 | 128.7° | 119.7° |
| O6 | C6 | N1 | 120.3° | 120.8° |
| C6 | N1 | C2 | 124.9° | 120.3° |
| C6 | N1 | HN1 | 118.0° | 119.8° |
| C2 | N1 | HN1 | 117.1° | 119.9° |
| N1 | C2 | N2 | 116.8° | 119.0° |
| N1 | C2 | N3 | 123.9° | 121.9° |
| N2 | C2 | N3 | 119.3° | 119.0° |
| C2 | N2 | CM1 | 119.8° | 120.0° |
| C2 | N2 | CM2 | 120.0° | 120.0° |
| C2 | N3 | C4 | 111.7° | 121.1° |
| CM1 | N2 | CM2 | 120.2° | 120.0° |
| N2 | CM1 | HM11 | 119.9° | 109.5° |
| N2 | CM1 | HM12 | 108.5° | 109.5° |
| N2 | CM1 | HM13 | 108.5° | 109.4° |
| N2 | CM2 | HM21 | 119.9° | 109.5° |
| N2 | CM2 | HM22 | 108.4° | 109.5° |
| N2 | CM2 | HM23 | 108.4° | 109.5° |
| HM11 | CM1 | HM12 | 108.5° | 109.5° |
| HM11 | CM1 | HM13 | 108.5° | 109.5° |
| HM12 | CM1 | HM13 | 101.4° | 109.4° |
| HM21 | CM2 | HM22 | 108.5° | 109.5° |
| HM21 | CM2 | HM23 | 108.5° | 109.5° |
| HM22 | CM2 | HM23 | 101.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 123.8° | 120.0° |
| OP1 | P | OP2 | O5' | 123.9° | 120.0° |
| OP1 | P | OP3 | O5' | 116.1° | 120.0° |
| OP1 | P | OP2 | HOP2 | 179.9° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O5' | C5' | 158.0° | 60.0° |
| OP2 | P | OP3 | O5' | 113.9° | 120.0° |
| OP2 | P | OP3 | HOP3 | 50.0° | 60.0° |
| OP2 | P | O5' | C5' | 27.5° | 180.0° |
| OP3 | P | OP2 | HOP2 | 56.2° | 60.0° |
| OP3 | P | O5' | C5' | 85.1° | 60.0° |
| O5' | P | OP2 | HOP2 | 56.1° | 180.0° |
| O5' | P | OP3 | HOP3 | 63.8° | 60.0° |
| P | O5' | C5' | C4' | 177.4° | 179.9° |
| P | O5' | C5' | H5' | 52.2° | 60.0° |
| P | O5' | C5' | H5'' | 57.4° | 59.9° |
| O5' | C5' | C4' | H5' | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'' | 125.3° | 120.0° |
| O5' | C5' | H5' | H5'' | 117.9° | 120.0° |
| O5' | C5' | C4' | O4' | 52.9° | 61.4° |
| O5' | C5' | C4' | C3' | 62.6° | 176.9° |
| O5' | C5' | C4' | H4' | 176.7° | 60.8° |
| C4' | C5' | H5' | H5'' | 117.8° | 119.9° |
| C5' | C4' | O4' | C3' | 122.8° | 119.0° |
| C5' | C4' | O4' | H4' | 116.7° | 122.2° |
| C5' | C4' | C3' | H4' | 116.7° | 122.2° |
| C5' | C4' | O4' | C1' | 145.3° | 159.5° |
| C5' | C4' | C3' | O3' | 81.8° | 98.3° |
| C5' | C4' | C3' | C2' | 160.1° | 143.0° |
| C5' | C4' | C3' | H3' | 37.0° | 24.3° |
| H5' | C5' | C4' | O4' | 178.2° | 178.5° |
| H5' | C5' | C4' | C3' | 62.6° | 63.0° |
| H5' | C5' | C4' | H4' | 58.0° | 59.2° |
| H5'' | C5' | C4' | O4' | 72.4° | 58.6° |
| H5'' | C5' | C4' | C3' | 172.1° | 56.9° |
| H5'' | C5' | C4' | H4' | 51.4° | 179.1° |
| O4' | C4' | C3' | H4' | 123.7° | 118.8° |
| O4' | C4' | C3' | O3' | 158.6° | 142.7° |
| O4' | C4' | C3' | C2' | 40.6° | 24.0° |
| O4' | C4' | C3' | H3' | 82.6° | 94.6° |
| C4' | O4' | C1' | C2' | 4.8° | 40.4° |
| C4' | O4' | C1' | N9 | 117.4° | 159.4° |
| C4' | O4' | C1' | H1' | 124.2° | 78.5° |
| C3' | C4' | O4' | C1' | 22.5° | 40.5° |
| C4' | C3' | O3' | C2' | 111.6° | 114.7° |
| C4' | C3' | O3' | H3' | 124.5° | 122.7° |
| C4' | C3' | C2' | H3' | 123.8° | 118.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C4' | C3' | C2' | O2' | 73.0° | 118.8° |
| C4' | C3' | C2' | C1' | 42.4° | 0.1° |
| C4' | C3' | C2' | H2' | 167.4° | 118.6° |
| H4' | C4' | O4' | C1' | 98.0° | 78.3° |
| H4' | C4' | C3' | O3' | 34.9° | 23.9° |
| H4' | C4' | C3' | C2' | 83.1° | 94.8° |
| H4' | C4' | C3' | H3' | 153.7° | 146.5° |
| O4' | C1' | C2' | C3' | 29.8° | 23.9° |
| O4' | C1' | C2' | O2' | 87.8° | 142.6° |
| O4' | C1' | C2' | N9 | 119.1° | 118.9° |
| O4' | C1' | C2' | H1' | 122.6° | 118.9° |
| O4' | C1' | C2' | H2' | 152.9° | 94.7° |
| O4' | C1' | N9 | H1' | 122.7° | 122.2° |
| O4' | C1' | N9 | C8 | 16.2° | 27.1° |
| O4' | C1' | N9 | C4 | 163.1° | 153.0° |
| O3' | C3' | C2' | H3' | 118.9° | 122.6° |
| O3' | C3' | C2' | O2' | 44.3° | 0.1° |
| O3' | C3' | C2' | C1' | 159.7° | 118.8° |
| O3' | C3' | C2' | H2' | 75.3° | 122.7° |
| C2' | C3' | O3' | HO3' | 68.3° | 65.3° |
| C3' | C2' | O2' | C1' | 110.0° | 114.7° |
| C3' | C2' | O2' | H2' | 124.2° | 122.6° |
| C3' | C2' | C1' | H2' | 123.1° | 118.5° |
| C3' | C2' | O2' | HO2' | 179.9° | 61.4° |
| C3' | C2' | C1' | N9 | 89.3° | 142.8° |
| C3' | C2' | C1' | H1' | 152.4° | 95.0° |
| H3' | C3' | O3' | HO3' | 55.5° | 57.4° |
| H3' | C3' | C2' | O2' | 163.1° | 122.5° |
| H3' | C3' | C2' | C1' | 81.4° | 118.6° |
| H3' | C3' | C2' | H2' | 43.5° | 0.1° |
| O2' | C2' | C1' | H2' | 119.3° | 122.8° |
| O2' | C2' | C1' | N9 | 153.1° | 98.5° |
| O2' | C2' | C1' | H1' | 34.8° | 23.7° |
| C1' | C2' | O2' | HO2' | 70.0° | 176.1° |
| C2' | C1' | N9 | H1' | 119.4° | 122.3° |
| C2' | C1' | N9 | C8 | 101.7° | 88.4° |
| C2' | C1' | N9 | C4 | 79.0° | 91.5° |
| H2' | C2' | O2' | HO2' | 55.7° | 61.1° |
| H2' | C2' | C1' | N9 | 33.8° | 24.3° |
| H2' | C2' | C1' | H1' | 84.5° | 146.5° |
| C1' | N9 | C8 | C4 | 179.4° | 179.9° |
| C1' | N9 | C8 | N7 | 179.3° | 180.0° |
| C1' | N9 | C8 | H8 | 0.7° | 0.1° |
| C1' | N9 | C4 | C5 | 178.9° | 180.0° |
| C1' | N9 | C4 | N3 | 0.5° | 0.0° |
| H1' | C1' | N9 | C8 | 138.9° | 149.3° |
| H1' | C1' | N9 | C4 | 40.4° | 30.8° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.4° | 0.1° |
| C8 | N9 | C4 | C5 | 0.6° | 0.0° |
| C8 | N9 | C4 | N3 | 180.0° | 179.9° |
| C4 | N9 | C8 | N7 | 0.1° | 0.1° |
| C4 | N9 | C8 | H8 | 179.9° | 179.9° |
| N9 | C4 | C5 | N7 | 0.8° | 0.0° |
| N9 | C4 | C5 | C6 | 179.2° | 180.0° |
| N9 | C4 | C5 | N3 | 179.4° | 179.9° |
| N9 | C4 | N3 | C2 | 179.5° | 180.0° |
| C8 | N7 | C5 | C6 | 179.3° | 179.9° |
| C8 | N7 | C5 | C4 | 0.8° | 0.0° |
| H8 | C8 | N7 | C5 | 179.6° | 179.9° |
| N7 | C5 | C6 | C4 | 179.9° | 180.0° |
| N7 | C5 | C6 | O6 | 0.1° | 0.0° |
| N7 | C5 | C6 | N1 | 179.7° | 179.7° |
| N7 | C5 | C4 | N3 | 179.8° | 179.9° |
| C5 | C6 | O6 | N1 | 179.8° | 179.6° |
| C5 | C6 | N1 | C2 | 0.1° | 0.6° |
| C5 | C6 | N1 | HN1 | 179.9° | 180.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.1° |
| C4 | C5 | C6 | O6 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.2° | 0.3° |
| C5 | C4 | N3 | C2 | 0.2° | 0.1° |
| O6 | C6 | N1 | C2 | 179.7° | 179.7° |
| O6 | C6 | N1 | HN1 | 0.2° | 0.4° |
| C6 | N1 | C2 | HN1 | 180.0° | 179.4° |
| C6 | N1 | C2 | N2 | 177.9° | 179.6° |
| C6 | N1 | C2 | N3 | 0.5° | 0.7° |
| N1 | C2 | N2 | N3 | 178.4° | 179.7° |
| N1 | C2 | N2 | CM1 | 164.3° | 179.7° |
| N1 | C2 | N2 | CM2 | 15.6° | 0.3° |
| N1 | C2 | N3 | C4 | 0.5° | 0.4° |
| HN1 | N1 | C2 | N2 | 2.1° | 0.3° |
| HN1 | N1 | C2 | N3 | 179.5° | 180.0° |
| C2 | N2 | CM1 | CM2 | 180.0° | 179.9° |
| N2 | C2 | N3 | C4 | 177.8° | 179.9° |
| C2 | N2 | CM1 | HM11 | 180.0° | 180.0° |
| C2 | N2 | CM1 | HM12 | 54.7° | 59.9° |
| C2 | N2 | CM1 | HM13 | 54.7° | 60.0° |
| C2 | N2 | CM2 | HM21 | 180.0° | 180.0° |
| C2 | N2 | CM2 | HM22 | 54.7° | 60.0° |
| C2 | N2 | CM2 | HM23 | 54.8° | 59.9° |
| N3 | C2 | N2 | CM1 | 14.1° | 0.0° |
| N3 | C2 | N2 | CM2 | 165.9° | 180.0° |
| N2 | CM1 | HM11 | HM12 | 125.3° | 120.1° |
| N2 | CM1 | HM11 | HM13 | 125.4° | 120.0° |
| N2 | CM1 | HM12 | HM13 | 114.2° | 119.9° |
| CM1 | N2 | CM2 | HM21 | 0.0° | 0.0° |
| CM1 | N2 | CM2 | HM22 | 125.3° | 120.0° |
| CM1 | N2 | CM2 | HM23 | 125.2° | 120.0° |
| CM2 | N2 | CM1 | HM11 | 0.0° | 0.0° |
| CM2 | N2 | CM1 | HM12 | 125.3° | 120.0° |
| CM2 | N2 | CM1 | HM13 | 125.3° | 120.0° |
| N2 | CM2 | HM21 | HM22 | 125.2° | 120.0° |
| N2 | CM2 | HM21 | HM23 | 125.2° | 120.0° |
| N2 | CM2 | HM22 | HM23 | 114.1° | 120.0° |
| HM11 | CM1 | HM12 | HM13 | 114.1° | 120.0° |
| HM21 | CM2 | HM22 | HM23 | 114.2° | 120.0° |
