MGV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | FAH | sing | 1.35Å | 1.34Å | |
| CAU | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAL | doub | 1.38Å | 1.38Å | Aromatic |
| CAL | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAO | sing | 1.51Å | 1.47Å | |
| CAO | N7 | sing | 1.46Å | 1.46Å | |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.40Å | |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | N1 | sing | 1.35Å | 1.39Å | |
| N1 | C2 | sing | 1.36Å | 1.39Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å | |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.46Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.45Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C4' | C5' | sing | 1.53Å | 1.56Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| O5' | P | sing | 1.61Å | 1.66Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| P | OP2 | sing | 1.61Å | 1.60Å | |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2N1 | sing | 0.97Å | 1.00Å | |
| N2 | H2N2 | sing | 0.97Å | 1.00Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O2' | HA | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAK | CAV | 117.9° | 120.0° |
| CAK | CAI | CAU | 119.2° | 120.0° |
| CAI | CAK | HAK | 121.1° | 120.0° |
| CAK | CAI | HAI | 120.4° | 120.0° |
| CAK | CAV | CAL | 123.3° | 120.0° |
| CAK | CAV | CAO | 119.3° | 120.0° |
| CAV | CAK | HAK | 121.0° | 120.0° |
| CAI | CAU | FAH | 119.7° | 120.0° |
| CAI | CAU | CAJ | 121.8° | 119.9° |
| CAU | CAI | HAI | 120.4° | 120.0° |
| FAH | CAU | CAJ | 118.5° | 120.1° |
| CAU | CAJ | CAL | 120.0° | 120.0° |
| CAU | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAL | CAV | 117.7° | 120.1° |
| CAL | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAL | HAL | 121.1° | 120.0° |
| CAL | CAV | CAO | 117.4° | 120.0° |
| CAV | CAL | HAL | 121.1° | 120.0° |
| CAV | CAO | N7 | 113.5° | 109.4° |
| CAV | CAO | HAO1 | 108.1° | 109.4° |
| CAV | CAO | HAO2 | 107.2° | 109.5° |
| CAO | N7 | C8 | 123.5° | 125.3° |
| CAO | N7 | C5 | 125.1° | 125.4° |
| N7 | CAO | HAO1 | 108.2° | 109.5° |
| N7 | CAO | HAO2 | 107.2° | 109.5° |
| C8 | N7 | C5 | 111.1° | 109.3° |
| N7 | C8 | N9 | 107.1° | 109.8° |
| N7 | C8 | H8 | 126.4° | 125.1° |
| N7 | C5 | C6 | 135.4° | 134.1° |
| N7 | C5 | C4 | 105.2° | 107.2° |
| C8 | N9 | C4 | 108.7° | 107.5° |
| C8 | N9 | C1' | 127.4° | 126.2° |
| N9 | C8 | H8 | 126.4° | 125.1° |
| C6 | C5 | C4 | 119.5° | 118.6° |
| C5 | C6 | O6 | 124.4° | 120.8° |
| C5 | C6 | N1 | 117.4° | 118.3° |
| C5 | C4 | N3 | 121.6° | 119.6° |
| C5 | C4 | N9 | 107.8° | 106.1° |
| O6 | C6 | N1 | 118.2° | 120.9° |
| C6 | N1 | C2 | 120.5° | 120.4° |
| C6 | N1 | H1 | 119.8° | 119.8° |
| N1 | C2 | N2 | 118.4° | 119.0° |
| N1 | C2 | N3 | 121.2° | 121.9° |
| C2 | N1 | H1 | 119.7° | 119.8° |
| N2 | C2 | N3 | 120.4° | 119.1° |
| C2 | N2 | H2N1 | 109.5° | 120.0° |
| C2 | N2 | H2N2 | 125.2° | 119.9° |
| C2 | N3 | C4 | 119.8° | 121.2° |
| N3 | C4 | N9 | 130.6° | 134.2° |
| C4 | N9 | C1' | 123.9° | 126.3° |
| N9 | C1' | O4' | 110.7° | 110.4° |
| N9 | C1' | C2' | 108.8° | 110.3° |
| N9 | C1' | H1' | 108.0° | 110.3° |
| O4' | C1' | C2' | 106.0° | 104.8° |
| C1' | O4' | C4' | 109.3° | 105.2° |
| O4' | C1' | H1' | 110.7° | 110.4° |
| C1' | C2' | O2' | 110.6° | 110.6° |
| C1' | C2' | C3' | 101.1° | 104.0° |
| C2' | C1' | H1' | 112.6° | 110.4° |
| C1' | C2' | H2' | 114.2° | 110.5° |
| O4' | C4' | C3' | 103.3° | 104.8° |
| O4' | C4' | C5' | 102.8° | 110.3° |
| O4' | C4' | H4' | 120.5° | 110.4° |
| O2' | C2' | C3' | 110.1° | 110.5° |
| O2' | C2' | H2' | 106.0° | 110.5° |
| C2' | O2' | HA | 109.5° | 114.0° |
| C2' | C3' | O3' | 111.2° | 110.5° |
| C2' | C3' | C4' | 99.2° | 104.1° |
| C3' | C2' | H2' | 114.8° | 110.6° |
| C2' | C3' | H3' | 116.6° | 110.5° |
| O3' | C3' | C4' | 114.0° | 110.5° |
| O3' | C3' | H3' | 102.5° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | C5' | 117.6° | 110.3° |
| C3' | C4' | H4' | 106.5° | 110.4° |
| C4' | C3' | H3' | 113.9° | 110.7° |
| C4' | C5' | O5' | 111.1° | 109.5° |
| C5' | C4' | H4' | 107.0° | 110.4° |
| C4' | C5' | H5'1 | 108.9° | 109.5° |
| C4' | C5' | H5'2 | 108.5° | 109.5° |
| C5' | O5' | P | 122.3° | 123.0° |
| O5' | C5' | H5'1 | 108.9° | 109.5° |
| O5' | C5' | H5'2 | 108.6° | 109.5° |
| O5' | P | OP3 | 106.0° | 109.4° |
| O5' | P | OP2 | 102.8° | 109.5° |
| O5' | P | OP1 | 111.6° | 109.5° |
| OP3 | P | OP2 | 107.3° | 109.5° |
| OP3 | P | OP1 | 112.2° | 109.5° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| OP2 | P | OP1 | 116.1° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| HAO1 | CAO | HAO2 | 112.7° | 109.5° |
| H2N1 | N2 | H2N2 | 125.3° | 120.0° |
| H5'1 | C5' | H5'2 | 110.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAK | CAV | HAK | 180.0° | 179.6° |
| CAK | CAI | CAU | HAI | 180.0° | 180.0° |
| CAK | CAI | CAU | FAH | 179.9° | 180.0° |
| CAK | CAI | CAU | CAJ | 1.4° | 0.0° |
| CAI | CAK | CAV | CAL | 0.2° | 0.1° |
| CAI | CAK | CAV | CAO | 179.9° | 180.0° |
| CAV | CAK | CAI | CAU | 1.3° | 0.0° |
| CAK | CAV | CAL | CAJ | 0.7° | 0.0° |
| CAK | CAV | CAL | CAO | 179.7° | 180.0° |
| CAK | CAV | CAO | N7 | 74.1° | 90.0° |
| CAV | CAK | CAI | HAI | 178.8° | 180.0° |
| CAK | CAV | CAL | HAL | 179.3° | 179.9° |
| CAK | CAV | CAO | HAO1 | 45.9° | 150.0° |
| CAK | CAV | CAO | HAO2 | 167.7° | 30.0° |
| CAI | CAU | FAH | CAJ | 178.5° | 180.0° |
| CAI | CAU | CAJ | CAL | 0.5° | 0.1° |
| CAU | CAI | CAK | HAK | 178.8° | 179.7° |
| CAI | CAU | CAJ | HAJ | 179.5° | 180.0° |
| FAH | CAU | CAJ | CAL | 179.0° | 180.0° |
| FAH | CAU | CAI | HAI | 0.1° | 0.0° |
| FAH | CAU | CAJ | HAJ | 1.0° | 0.0° |
| CAU | CAJ | CAL | HAJ | 180.0° | 179.9° |
| CAU | CAJ | CAL | CAV | 0.5° | 0.1° |
| CAJ | CAU | CAI | HAI | 178.6° | 180.0° |
| CAU | CAJ | CAL | HAL | 179.4° | 180.0° |
| CAJ | CAL | CAV | HAL | 180.0° | 179.9° |
| CAJ | CAL | CAV | CAO | 179.0° | 180.0° |
| CAL | CAV | CAO | N7 | 106.2° | 90.0° |
| CAL | CAV | CAK | HAK | 179.8° | 179.7° |
| CAV | CAL | CAJ | HAJ | 179.4° | 180.0° |
| CAL | CAV | CAO | HAO1 | 133.8° | 30.0° |
| CAL | CAV | CAO | HAO2 | 12.0° | 150.0° |
| CAV | CAO | N7 | HAO1 | 120.0° | 119.9° |
| CAV | CAO | N7 | HAO2 | 118.2° | 120.0° |
| CAV | CAO | N7 | C8 | 88.1° | 95.1° |
| CAV | CAO | N7 | C5 | 98.1° | 84.8° |
| CAO | CAV | CAK | HAK | 0.1° | 0.4° |
| CAO | CAV | CAL | HAL | 1.0° | 0.0° |
| CAV | CAO | HAO1 | HAO2 | 118.3° | 120.0° |
| CAO | N7 | C8 | C5 | 174.5° | 179.8° |
| CAO | N7 | C8 | N9 | 176.1° | 180.0° |
| CAO | N7 | C5 | C6 | 5.1° | 0.0° |
| CAO | N7 | C5 | C4 | 176.3° | 180.0° |
| N7 | CAO | HAO1 | HAO2 | 118.3° | 120.1° |
| CAO | N7 | C8 | H8 | 3.9° | 0.1° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| C8 | N7 | C5 | C6 | 179.6° | 179.9° |
| C8 | N7 | C5 | C4 | 1.9° | 0.2° |
| N7 | C8 | N9 | C4 | 0.5° | 0.1° |
| N7 | C8 | N9 | C1' | 177.6° | 179.9° |
| C8 | N7 | CAO | HAO1 | 31.9° | 145.0° |
| C8 | N7 | CAO | HAO2 | 153.7° | 24.9° |
| C5 | N7 | C8 | N9 | 1.5° | 0.2° |
| N7 | C5 | C6 | C4 | 178.4° | 180.0° |
| N7 | C5 | C6 | O6 | 1.5° | 0.0° |
| N7 | C5 | C6 | N1 | 178.4° | 180.0° |
| N7 | C5 | C4 | N3 | 179.6° | 180.0° |
| N7 | C5 | C4 | N9 | 1.5° | 0.1° |
| C5 | N7 | CAO | HAO1 | 141.9° | 35.2° |
| C5 | N7 | CAO | HAO2 | 20.1° | 155.3° |
| C5 | N7 | C8 | H8 | 178.4° | 179.7° |
| C8 | N9 | C4 | C5 | 0.6° | 0.0° |
| C8 | N9 | C4 | N3 | 179.4° | 179.9° |
| C8 | N9 | C4 | C1' | 178.2° | 179.8° |
| C8 | N9 | C1' | O4' | 13.1° | 23.5° |
| C8 | N9 | C1' | C2' | 103.0° | 91.9° |
| C8 | N9 | C1' | H1' | 134.5° | 145.8° |
| C5 | C6 | O6 | N1 | 179.9° | 180.0° |
| C5 | C6 | N1 | C2 | 0.6° | 0.0° |
| C6 | C5 | C4 | N3 | 0.7° | 0.0° |
| C6 | C5 | C4 | N9 | 179.6° | 179.9° |
| C5 | C6 | N1 | H1 | 179.4° | 180.0° |
| C4 | C5 | C6 | O6 | 179.9° | 180.0° |
| C4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C5 | C4 | N3 | C2 | 0.9° | 0.0° |
| C5 | C4 | N3 | N9 | 178.6° | 179.9° |
| C5 | C4 | N9 | C1' | 178.8° | 179.8° |
| O6 | C6 | N1 | C2 | 179.5° | 180.0° |
| O6 | C6 | N1 | H1 | 0.5° | 0.0° |
| C6 | N1 | C2 | H1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N2 | 179.8° | 180.0° |
| C6 | N1 | C2 | N3 | 0.5° | 0.0° |
| N1 | C2 | N2 | N3 | 179.7° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.0° |
| N1 | C2 | N2 | H2N1 | 180.0° | 0.0° |
| N1 | C2 | N2 | H2N2 | 0.0° | 180.0° |
| N2 | C2 | N3 | C4 | 179.4° | 180.0° |
| N2 | C2 | N1 | H1 | 0.1° | 0.0° |
| C2 | N2 | H2N1 | H2N2 | 180.0° | 179.9° |
| C2 | N3 | C4 | N9 | 179.5° | 179.9° |
| N3 | C2 | N1 | H1 | 179.5° | 180.0° |
| N3 | C2 | N2 | H2N1 | 0.3° | 180.0° |
| N3 | C2 | N2 | H2N2 | 179.7° | 0.1° |
| N3 | C4 | N9 | C1' | 2.4° | 0.1° |
| C4 | N9 | C1' | O4' | 169.1° | 156.2° |
| C4 | N9 | C1' | C2' | 74.8° | 88.4° |
| C4 | N9 | C8 | H8 | 179.5° | 179.8° |
| C4 | N9 | C1' | H1' | 47.7° | 33.9° |
| N9 | C1' | O4' | C2' | 117.8° | 118.8° |
| N9 | C1' | O4' | H1' | 119.8° | 122.2° |
| N9 | C1' | C2' | H1' | 119.7° | 122.2° |
| N9 | C1' | O4' | C4' | 113.8° | 159.3° |
| N9 | C1' | C2' | O2' | 154.9° | 98.5° |
| N9 | C1' | C2' | C3' | 88.5° | 142.8° |
| C1' | N9 | C8 | H8 | 2.5° | 0.0° |
| N9 | C1' | C2' | H2' | 35.4° | 24.1° |
| O4' | C1' | C2' | H1' | 121.2° | 118.9° |
| O4' | C1' | C2' | O2' | 86.0° | 142.6° |
| O4' | C1' | C2' | C3' | 30.6° | 23.9° |
| C1' | O4' | C4' | C3' | 24.3° | 40.6° |
| C1' | O4' | C4' | C5' | 147.0° | 159.3° |
| O4' | C1' | C2' | H2' | 154.5° | 94.7° |
| C1' | O4' | C4' | H4' | 94.3° | 78.4° |
| C2' | C1' | O4' | C4' | 4.0° | 40.5° |
| C1' | C2' | O2' | C3' | 110.9° | 114.7° |
| C1' | C2' | O2' | H2' | 124.4° | 122.6° |
| C1' | C2' | C3' | H2' | 123.5° | 118.6° |
| C1' | C2' | C3' | O3' | 163.8° | 118.7° |
| C1' | C2' | C3' | C4' | 43.5° | 0.1° |
| C1' | C2' | O2' | HA | 4.8° | 180.0° |
| C1' | C2' | C3' | H3' | 79.1° | 118.8° |
| O4' | C4' | C3' | C2' | 42.0° | 24.1° |
| O4' | C4' | C3' | O3' | 160.2° | 142.7° |
| O4' | C4' | C3' | C5' | 112.3° | 118.8° |
| O4' | C4' | C3' | H4' | 127.8° | 118.9° |
| O4' | C4' | C5' | H4' | 127.8° | 122.3° |
| O4' | C4' | C5' | O5' | 64.0° | 66.5° |
| C4' | O4' | C1' | H1' | 126.4° | 78.4° |
| O4' | C4' | C3' | H3' | 82.6° | 94.7° |
| O4' | C4' | C5' | H5'1 | 56.0° | 173.5° |
| O4' | C4' | C5' | H5'2 | 176.7° | 53.6° |
| O2' | C2' | C3' | H2' | 119.5° | 122.7° |
| O2' | C2' | C3' | O3' | 46.8° | 0.0° |
| O2' | C2' | C3' | C4' | 73.5° | 118.6° |
| O2' | C2' | C1' | H1' | 35.2° | 23.7° |
| O2' | C2' | C3' | H3' | 163.9° | 122.5° |
| C2' | C3' | O3' | C4' | 111.1° | 114.6° |
| C2' | C3' | O3' | H3' | 125.3° | 122.6° |
| C2' | C3' | C4' | H3' | 124.6° | 118.8° |
| C2' | C3' | C4' | C5' | 154.3° | 142.8° |
| C3' | C2' | C1' | H1' | 151.8° | 95.0° |
| C2' | C3' | C4' | H4' | 85.8° | 94.8° |
| C3' | C2' | O2' | HA | 106.2° | 65.3° |
| C2' | C3' | O3' | HO3' | 49.9° | 61.4° |
| O3' | C3' | C4' | H3' | 117.2° | 122.6° |
| O3' | C3' | C4' | C5' | 87.5° | 98.6° |
| O3' | C3' | C2' | H2' | 72.7° | 122.7° |
| O3' | C3' | C4' | H4' | 32.4° | 23.8° |
| C3' | C4' | C5' | H4' | 119.6° | 122.4° |
| C3' | C4' | C5' | O5' | 48.5° | 178.2° |
| C4' | C3' | C2' | H2' | 167.1° | 118.7° |
| C4' | C3' | O3' | HO3' | 61.2° | 176.0° |
| C3' | C4' | C5' | H5'1 | 168.5° | 58.2° |
| C3' | C4' | C5' | H5'2 | 70.8° | 61.8° |
| C4' | C5' | O5' | H5'1 | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'2 | 119.3° | 120.0° |
| C4' | C5' | O5' | P | 154.9° | 180.0° |
| C5' | C4' | C3' | H3' | 29.7° | 24.1° |
| C4' | C5' | H5'1 | H5'2 | 119.3° | 120.0° |
| C5' | O5' | P | OP3 | 111.3° | 175.0° |
| C5' | O5' | P | OP2 | 136.2° | 65.0° |
| C5' | O5' | P | OP1 | 11.2° | 55.0° |
| O5' | C5' | C4' | H4' | 168.2° | 55.8° |
| O5' | C5' | H5'1 | H5'2 | 119.3° | 120.0° |
| O5' | P | OP3 | OP2 | 109.3° | 120.0° |
| O5' | P | OP3 | OP1 | 122.1° | 120.0° |
| O5' | P | OP2 | OP1 | 122.1° | 120.0° |
| P | O5' | C5' | H5'1 | 34.9° | 60.0° |
| P | O5' | C5' | H5'2 | 85.8° | 60.0° |
| O5' | P | OP3 | HOP3 | 15.4° | 180.0° |
| O5' | P | OP2 | HOP2 | 115.2° | 60.0° |
| OP3 | P | OP2 | OP1 | 126.4° | 120.0° |
| OP3 | P | OP2 | HOP2 | 133.3° | 60.0° |
| OP2 | P | OP3 | HOP3 | 124.6° | 60.0° |
| OP1 | P | OP3 | HOP3 | 106.7° | 60.0° |
| OP1 | P | OP2 | HOP2 | 6.9° | 180.0° |
| HAK | CAK | CAI | HAI | 1.2° | 0.4° |
| HAJ | CAJ | CAL | HAL | 0.6° | 0.1° |
| H1' | C1' | C2' | H2' | 84.3° | 146.3° |
| H2' | C2' | O2' | HA | 129.1° | 57.4° |
| H2' | C2' | C3' | H3' | 44.4° | 0.1° |
| H4' | C4' | C3' | H3' | 149.6° | 146.4° |
| H4' | C4' | C5' | H5'1 | 71.8° | 64.1° |
| H4' | C4' | C5' | H5'2 | 48.9° | 175.9° |
| H3' | C3' | O3' | HO3' | 175.2° | 61.2° |
