2BD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.50Å | 1.48Å | |
| P | OP2 | sing | 1.62Å | 1.48Å | |
| P | OP3 | sing | 1.62Å | 17.48Å | |
| P | O5' | sing | 1.62Å | 1.60Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.45Å | |
| C5' | C4' | sing | 1.52Å | 1.48Å | |
| C5' | H5' | sing | 1.09Å | 1.08Å | |
| C5' | H5'' | sing | 1.09Å | 1.13Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C3' | sing | 1.53Å | 1.48Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.52Å | |
| C1' | N9 | sing | 1.46Å | 1.56Å | |
| C1' | C2' | sing | 1.52Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 0.98Å | |
| O6 | C6 | doub | 1.23Å | 1.22Å | |
| C6 | C5 | sing | 1.44Å | 1.39Å | |
| C6 | N1 | sing | 1.41Å | 1.49Å | |
| C5 | N7 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | C4 | doub | 1.37Å | 1.38Å | Aromatic |
| N7 | C8 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.37Å | 1.29Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.01Å | |
| N9 | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | C2 | doub | 1.30Å | 1.32Å | |
| C2 | N1 | sing | 1.41Å | 1.44Å | |
| C2 | H2 | sing | 1.10Å | 1.07Å | |
| N1 | CAN | sing | 1.45Å | 1.70Å | |
| CAN | CAL | sing | 1.50Å | 1.48Å | |
| CAN | CAO | sing | 1.53Å | 1.61Å | |
| CAN | HAN | sing | 1.10Å | 0.96Å | |
| CAL | CAM | doub | 1.34Å | 1.25Å | |
| CAL | HAL2 | sing | 1.09Å | 1.09Å | |
| CAM | HAM1 | sing | 1.08Å | 1.08Å | |
| CAM | HAM2 | sing | 1.08Å | 1.04Å | |
| CAO | OAP | sing | 1.42Å | 1.44Å | |
| CAO | HAO1 | sing | 1.10Å | 0.96Å | |
| CAO | HAO2 | sing | 1.10Å | 1.16Å | |
| OAP | HAP | sing | 0.97Å | 1.01Å | |
| C2' | C3' | sing | 1.51Å | 1.43Å | |
| C2' | H2' | sing | 1.10Å | 1.07Å | |
| C2' | H2'' | sing | 1.09Å | 1.08Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 123.8° | 115.3° |
| OP1 | P | OP3 | 82.7° | 115.0° |
| OP1 | P | O5' | 123.2° | 115.0° |
| OP2 | P | OP3 | 116.7° | 103.3° |
| OP2 | P | O5' | 112.6° | 103.7° |
| P | OP2 | HOP2 | 123.7° | 118.9° |
| OP3 | P | O5' | 65.2° | 102.9° |
| P | OP3 | HOP3 | 82.8° | 118.9° |
| P | O5' | C5' | 111.9° | 118.5° |
| O5' | C5' | C4' | 96.7° | 108.6° |
| O5' | C5' | H5' | 114.5° | 109.2° |
| O5' | C5' | H5'' | 109.9° | 109.2° |
| C4' | C5' | H5' | 107.3° | 110.1° |
| C4' | C5' | H5'' | 113.4° | 110.1° |
| C5' | C4' | O4' | 118.7° | 108.1° |
| C5' | C4' | C3' | 105.9° | 112.7° |
| C5' | C4' | H4' | 109.2° | 109.4° |
| H5' | C5' | H5'' | 113.8° | 109.6° |
| O4' | C4' | C3' | 100.7° | 106.8° |
| O4' | C4' | H4' | 111.7° | 107.7° |
| C4' | O4' | C1' | 109.8° | 108.7° |
| C3' | C4' | H4' | 110.0° | 112.0° |
| C4' | C3' | C2' | 113.7° | 103.2° |
| C4' | C3' | O3' | 115.2° | 109.5° |
| C4' | C3' | H3' | 94.4° | 113.9° |
| O4' | C1' | N9 | 106.1° | 110.0° |
| O4' | C1' | C2' | 102.9° | 106.8° |
| O4' | C1' | H1' | 99.7° | 108.1° |
| N9 | C1' | C2' | 104.0° | 114.3° |
| N9 | C1' | H1' | 123.2° | 105.9° |
| C1' | N9 | C8 | 126.1° | 125.9° |
| C1' | N9 | C4 | 125.9° | 127.2° |
| C2' | C1' | H1' | 118.4° | 111.7° |
| C1' | C2' | C3' | 102.9° | 101.6° |
| C1' | C2' | H2' | 111.4° | 110.5° |
| C1' | C2' | H2'' | 109.6° | 111.7° |
| O6 | C6 | C5 | 115.4° | 122.7° |
| O6 | C6 | N1 | 124.7° | 126.2° |
| C5 | C6 | N1 | 119.8° | 111.2° |
| C6 | C5 | N7 | 131.9° | 128.3° |
| C6 | C5 | C4 | 120.9° | 119.7° |
| C6 | N1 | C2 | 113.1° | 122.4° |
| C6 | N1 | CAN | 129.5° | 118.8° |
| N7 | C5 | C4 | 107.2° | 112.0° |
| C5 | N7 | C8 | 107.3° | 104.0° |
| C5 | C4 | N9 | 107.1° | 104.9° |
| C5 | C4 | N3 | 119.5° | 128.8° |
| N7 | C8 | N9 | 111.7° | 112.3° |
| N7 | C8 | H8 | 124.0° | 125.5° |
| N9 | C8 | H8 | 124.0° | 122.2° |
| C8 | N9 | C4 | 106.7° | 106.8° |
| N9 | C4 | N3 | 133.4° | 126.2° |
| C4 | N3 | C2 | 123.6° | 111.6° |
| N3 | C2 | N1 | 122.6° | 126.3° |
| N3 | C2 | H2 | 117.9° | 120.0° |
| N1 | C2 | H2 | 119.2° | 113.7° |
| C2 | N1 | CAN | 117.0° | 118.8° |
| N1 | CAN | CAL | 115.7° | 107.8° |
| N1 | CAN | CAO | 93.0° | 111.0° |
| N1 | CAN | HAN | 128.3° | 105.8° |
| CAL | CAN | CAO | 109.0° | 111.3° |
| CAL | CAN | HAN | 109.0° | 111.3° |
| CAN | CAL | CAM | 109.0° | 123.8° |
| CAN | CAL | HAL2 | 109.0° | 117.8° |
| CAO | CAN | HAN | 95.9° | 109.5° |
| CAN | CAO | OAP | 140.1° | 109.2° |
| CAN | CAO | HAO1 | 109.3° | 111.8° |
| CAN | CAO | HAO2 | 98.4° | 110.9° |
| CAM | CAL | HAL2 | 109.9° | 118.4° |
| CAL | CAM | HAM1 | 102.4° | 121.6° |
| CAL | CAM | HAM2 | 123.1° | 120.4° |
| HAM1 | CAM | HAM2 | 106.9° | 118.0° |
| OAP | CAO | HAO1 | 69.2° | 108.4° |
| OAP | CAO | HAO2 | 58.8° | 107.7° |
| CAO | OAP | HAP | 110.1° | 106.6° |
| HAO1 | CAO | HAO2 | 124.0° | 108.7° |
| C3' | C2' | H2' | 110.3° | 110.0° |
| C3' | C2' | H2'' | 111.8° | 114.2° |
| C2' | C3' | O3' | 130.6° | 108.4° |
| C2' | C3' | H3' | 88.1° | 113.7° |
| H2' | C2' | H2'' | 110.7° | 108.7° |
| O3' | C3' | H3' | 95.1° | 107.8° |
| C3' | O3' | HO3' | 115.1° | 106.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 99.5° | 126.3° |
| OP1 | P | OP2 | O5' | 172.1° | 126.6° |
| OP1 | P | OP3 | O5' | 131.8° | 125.8° |
| OP1 | P | OP2 | HOP2 | 180.0° | 48.9° |
| OP1 | P | OP3 | HOP3 | 180.0° | 48.0° |
| OP1 | P | O5' | C5' | 3.5° | 180.0° |
| OP2 | P | OP3 | O5' | 104.0° | 107.7° |
| OP2 | P | OP3 | HOP3 | 55.8° | 78.5° |
| OP2 | P | O5' | C5' | 168.7° | 53.2° |
| OP3 | P | OP2 | HOP2 | 80.4° | 77.4° |
| OP3 | P | O5' | C5' | 58.6° | 54.2° |
| O5' | P | OP2 | HOP2 | 7.8° | 175.5° |
| O5' | P | OP3 | HOP3 | 48.2° | 173.8° |
| P | O5' | C5' | C4' | 82.8° | 180.0° |
| P | O5' | C5' | H5' | 164.7° | 59.9° |
| P | O5' | C5' | H5'' | 35.1° | 59.9° |
| O5' | C5' | C4' | H5' | 118.3° | 119.5° |
| O5' | C5' | C4' | H5'' | 115.1° | 119.5° |
| O5' | C5' | H5' | H5'' | 127.6° | 119.6° |
| O5' | C5' | C4' | O4' | 113.9° | 61.8° |
| O5' | C5' | C4' | C3' | 1.8° | 179.5° |
| O5' | C5' | C4' | H4' | 116.6° | 55.2° |
| C4' | C5' | H5' | H5'' | 126.3° | 121.2° |
| C5' | C4' | O4' | C3' | 114.9° | 121.5° |
| C5' | C4' | O4' | H4' | 128.4° | 118.1° |
| C5' | C4' | C3' | H4' | 117.9° | 123.9° |
| C5' | C4' | O4' | C1' | 125.1° | 116.0° |
| C5' | C4' | C3' | C2' | 113.3° | 92.6° |
| C5' | C4' | C3' | O3' | 74.3° | 152.1° |
| C5' | C4' | C3' | H3' | 23.5° | 31.2° |
| H5' | C5' | C4' | O4' | 4.4° | 57.7° |
| H5' | C5' | C4' | C3' | 116.5° | 60.0° |
| H5' | C5' | C4' | H4' | 125.1° | 174.7° |
| H5'' | C5' | C4' | O4' | 131.0° | 178.7° |
| H5'' | C5' | C4' | C3' | 116.9° | 61.0° |
| H5'' | C5' | C4' | H4' | 1.5° | 64.3° |
| O4' | C4' | C3' | H4' | 118.0° | 117.7° |
| C4' | O4' | C1' | N9 | 135.4° | 141.7° |
| C4' | O4' | C1' | C2' | 26.5° | 17.3° |
| C4' | O4' | C1' | H1' | 95.8° | 103.1° |
| O4' | C4' | C3' | C2' | 10.8° | 25.9° |
| O4' | C4' | C3' | O3' | 161.5° | 89.4° |
| O4' | C4' | C3' | H3' | 100.7° | 149.7° |
| C3' | C4' | O4' | C1' | 10.2° | 5.5° |
| C4' | C3' | C2' | C1' | 27.5° | 34.8° |
| C4' | C3' | C2' | O3' | 170.9° | 116.1° |
| C4' | C3' | C2' | H3' | 94.0° | 123.9° |
| C4' | C3' | C2' | H2' | 91.4° | 82.3° |
| C4' | C3' | C2' | H2'' | 145.0° | 155.2° |
| C4' | C3' | O3' | H3' | 97.3° | 124.5° |
| C4' | C3' | O3' | HO3' | 180.0° | 3.7° |
| H4' | C4' | O4' | C1' | 106.5° | 126.0° |
| H4' | C4' | C3' | C2' | 128.8° | 143.6° |
| H4' | C4' | C3' | O3' | 43.6° | 28.3° |
| H4' | C4' | C3' | H3' | 141.4° | 92.6° |
| O4' | C1' | N9 | C2' | 108.1° | 120.0° |
| O4' | C1' | N9 | H1' | 113.4° | 116.6° |
| O4' | C1' | C2' | H1' | 108.6° | 118.0° |
| O4' | C1' | N9 | C8 | 60.3° | 33.4° |
| O4' | C1' | N9 | C4 | 105.0° | 146.5° |
| O4' | C1' | C2' | C3' | 30.9° | 32.8° |
| O4' | C1' | C2' | H2' | 87.2° | 84.0° |
| O4' | C1' | C2' | H2'' | 149.9° | 154.9° |
| N9 | C1' | C2' | H1' | 140.9° | 120.2° |
| C1' | N9 | C4 | C5 | 166.0° | 180.0° |
| C1' | N9 | C8 | N7 | 166.5° | 180.0° |
| C1' | N9 | C8 | C4 | 167.6° | 179.9° |
| C1' | N9 | C8 | H8 | 7.7° | 0.2° |
| C1' | N9 | C4 | N3 | 13.7° | 0.1° |
| N9 | C1' | C2' | C3' | 141.4° | 154.6° |
| N9 | C1' | C2' | H2' | 23.3° | 37.8° |
| N9 | C1' | C2' | H2'' | 99.6° | 83.3° |
| C2' | C1' | N9 | C8 | 168.4° | 86.6° |
| C2' | C1' | N9 | C4 | 3.1° | 93.5° |
| C1' | C2' | C3' | H2' | 118.9° | 117.1° |
| C1' | C2' | C3' | H2'' | 117.5° | 120.4° |
| C1' | C2' | H2' | H2'' | 122.3° | 122.9° |
| C1' | C2' | C3' | O3' | 143.4° | 81.3° |
| C1' | C2' | C3' | H3' | 121.5° | 158.8° |
| H1' | C1' | N9 | C8 | 53.1° | 150.0° |
| H1' | C1' | N9 | C4 | 141.6° | 29.9° |
| H1' | C1' | C2' | C3' | 77.7° | 85.2° |
| H1' | C1' | C2' | H2' | 164.2° | 158.0° |
| H1' | C1' | C2' | H2'' | 41.4° | 36.9° |
| O6 | C6 | C5 | N1 | 176.9° | 179.9° |
| O6 | C6 | C5 | N7 | 7.0° | 0.2° |
| O6 | C6 | C5 | C4 | 174.4° | 179.7° |
| O6 | C6 | N1 | C2 | 170.0° | 179.4° |
| O6 | C6 | N1 | CAN | 2.6° | 0.6° |
| C6 | C5 | N7 | C4 | 178.7° | 179.9° |
| C6 | C5 | N7 | C8 | 177.8° | 179.9° |
| C6 | C5 | C4 | N9 | 177.3° | 179.9° |
| C6 | C5 | C4 | N3 | 2.4° | 0.1° |
| C5 | C6 | N1 | C2 | 6.6° | 0.7° |
| C5 | C6 | N1 | CAN | 179.2° | 179.4° |
| N1 | C6 | C5 | N7 | 176.1° | 179.7° |
| N1 | C6 | C5 | C4 | 2.5° | 0.4° |
| C6 | N1 | C2 | N3 | 6.7° | 0.6° |
| C6 | N1 | C2 | CAN | 173.5° | 180.0° |
| C6 | N1 | C2 | H2 | 178.9° | 179.6° |
| C6 | N1 | CAN | CAL | 20.5° | 119.2° |
| C6 | N1 | CAN | CAO | 133.2° | 118.8° |
| C6 | N1 | CAN | HAN | 126.8° | 0.0° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| C5 | N7 | C8 | H8 | 174.3° | 179.9° |
| N7 | C5 | C4 | N9 | 1.6° | 0.0° |
| N7 | C5 | C4 | N3 | 178.7° | 179.9° |
| C4 | C5 | N7 | C8 | 0.9° | 0.0° |
| C5 | C4 | N9 | C8 | 1.6° | 0.0° |
| C5 | C4 | N9 | N3 | 179.7° | 179.9° |
| C5 | C4 | N3 | C2 | 2.6° | 0.2° |
| N7 | C8 | N9 | H8 | 174.2° | 179.9° |
| N7 | C8 | N9 | C4 | 1.1° | 0.0° |
| C8 | N9 | C4 | N3 | 178.7° | 179.8° |
| H8 | C8 | N9 | C4 | 175.3° | 179.9° |
| N9 | C4 | N3 | C2 | 177.1° | 179.9° |
| C4 | N3 | C2 | N1 | 2.3° | 0.1° |
| C4 | N3 | C2 | H2 | 176.8° | 179.9° |
| N3 | C2 | N1 | H2 | 174.4° | 179.8° |
| N3 | C2 | N1 | CAN | 179.8° | 179.5° |
| C2 | N1 | CAN | CAL | 167.2° | 60.9° |
| C2 | N1 | CAN | CAO | 54.5° | 61.2° |
| C2 | N1 | CAN | HAN | 45.5° | 180.0° |
| H2 | C2 | N1 | CAN | 5.4° | 0.4° |
| N1 | CAN | CAL | CAO | 103.1° | 121.9° |
| N1 | CAN | CAL | HAN | 153.4° | 115.6° |
| N1 | CAN | CAO | HAN | 129.0° | 116.5° |
| N1 | CAN | CAL | CAM | 139.4° | 115.6° |
| N1 | CAN | CAL | HAL2 | 19.4° | 64.7° |
| N1 | CAN | CAO | OAP | 116.4° | 60.0° |
| N1 | CAN | CAO | HAO1 | 36.1° | 60.0° |
| N1 | CAN | CAO | HAO2 | 166.6° | 178.5° |
| CAL | CAN | CAO | HAN | 112.5° | 123.5° |
| CAN | CAL | CAM | HAL2 | 119.4° | 179.7° |
| CAN | CAL | CAM | HAM1 | 126.8° | 179.9° |
| CAN | CAL | CAM | HAM2 | 113.3° | 0.0° |
| CAL | CAN | CAO | OAP | 125.1° | 180.0° |
| CAL | CAN | CAO | HAO1 | 154.6° | 60.0° |
| CAL | CAN | CAO | HAO2 | 74.9° | 61.5° |
| CAO | CAN | CAL | CAM | 117.5° | 122.5° |
| CAO | CAN | CAL | HAL2 | 122.5° | 57.2° |
| CAN | CAO | OAP | HAO1 | 95.5° | 122.1° |
| CAN | CAO | OAP | HAO2 | 62.7° | 120.5° |
| CAN | CAO | HAO1 | HAO2 | 114.9° | 122.8° |
| CAN | CAO | OAP | HAP | 123.2° | 43.7° |
| HAN | CAN | CAL | CAM | 14.0° | 0.0° |
| HAN | CAN | CAL | HAL2 | 133.9° | 179.7° |
| HAN | CAN | CAO | OAP | 12.6° | 56.5° |
| HAN | CAN | CAO | HAO1 | 92.9° | 176.5° |
| HAN | CAN | CAO | HAO2 | 37.6° | 62.0° |
| CAL | CAM | HAM1 | HAM2 | 130.7° | 179.9° |
| HAL2 | CAL | CAM | HAM1 | 7.4° | 0.4° |
| HAL2 | CAL | CAM | HAM2 | 127.4° | 179.7° |
| OAP | CAO | HAO1 | HAO2 | 22.6° | 116.8° |
| HAO1 | CAO | OAP | HAP | 27.7° | 78.4° |
| HAO2 | CAO | OAP | HAP | 174.1° | 164.1° |
| C3' | C2' | H2' | H2'' | 124.2° | 125.7° |
| C2' | C3' | O3' | H3' | 91.9° | 123.5° |
| C2' | C3' | O3' | HO3' | 9.3° | 115.6° |
| H2' | C2' | C3' | O3' | 97.7° | 161.6° |
| H2' | C2' | C3' | H3' | 2.6° | 41.7° |
| H2'' | C2' | C3' | O3' | 25.8° | 39.1° |
| H2'' | C2' | C3' | H3' | 121.0° | 80.8° |
| H3' | C3' | O3' | HO3' | 82.6° | 120.9° |
