4AD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P | doub | 1.48Å | 1.49Å | |
| P | O1P | sing | 1.61Å | 1.50Å | |
| P | O3P | sing | 1.61Å | 1.62Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| O1P | HOP1 | sing | 0.97Å | 0.95Å | |
| O3P | C | sing | 1.34Å | 1.43Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.49Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| N | HN3 | sing | 1.01Å | 1.00Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | OD1 | doub | 1.21Å | 1.22Å | |
| CG | ND2 | sing | 1.35Å | 1.34Å | |
| ND2 | HD21 | sing | 0.97Å | 1.00Å | |
| ND2 | HD22 | sing | 0.97Å | 1.00Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | H2 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | H1 | sing | 0.97Å | 0.95Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | N9 | sing | 1.47Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C4 | sing | 1.37Å | 1.32Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.45Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | C6 | doub | 1.33Å | 1.36Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.36Å | |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.00Å | |
| N6 | HN62 | sing | 0.97Å | 1.00Å | |
| C5 | N7 | sing | 1.36Å | 1.37Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.47Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2P | P | O1P | 120.1° | 109.5° |
| O2P | P | O3P | 104.1° | 109.5° |
| O2P | P | O5' | 111.8° | 109.4° |
| O1P | P | O3P | 109.3° | 109.5° |
| O1P | P | O5' | 106.9° | 109.4° |
| P | O1P | HOP1 | 120.1° | 106.9° |
| O3P | P | O5' | 103.4° | 109.5° |
| P | O3P | C | 126.5° | 120.0° |
| P | O5' | C5' | 120.4° | 106.9° |
| O3P | C | O | 123.2° | 120.0° |
| O3P | C | CA | 113.0° | 120.0° |
| O | C | CA | 123.8° | 120.0° |
| C | CA | N | 109.8° | 109.5° |
| C | CA | CB | 104.7° | 109.5° |
| C | CA | HA | 113.5° | 109.4° |
| N | CA | CB | 112.6° | 109.5° |
| N | CA | HA | 105.6° | 109.5° |
| CA | N | HN1 | 109.4° | 109.5° |
| CA | N | HN2 | 109.5° | 109.5° |
| CA | N | HN3 | 109.5° | 109.5° |
| CB | CA | HA | 110.7° | 109.5° |
| CA | CB | CG | 110.3° | 109.5° |
| CA | CB | HB1 | 109.0° | 109.5° |
| CA | CB | HB2 | 109.2° | 109.4° |
| HN1 | N | HN2 | 109.5° | 109.5° |
| HN1 | N | HN3 | 109.5° | 109.5° |
| HN2 | N | HN3 | 109.5° | 109.4° |
| CG | CB | HB1 | 109.0° | 109.5° |
| CG | CB | HB2 | 109.2° | 109.5° |
| CB | CG | OD1 | 120.3° | 120.0° |
| CB | CG | ND2 | 116.3° | 120.0° |
| HB1 | CB | HB2 | 110.1° | 109.5° |
| OD1 | CG | ND2 | 123.5° | 120.0° |
| CG | ND2 | HD21 | 126.1° | 120.0° |
| CG | ND2 | HD22 | 107.7° | 120.0° |
| HD21 | ND2 | HD22 | 126.2° | 120.0° |
| O5' | C5' | C4' | 107.0° | 109.5° |
| O5' | C5' | H5'1 | 110.9° | 109.5° |
| O5' | C5' | H5'2 | 110.3° | 109.4° |
| C4' | C5' | H5'1 | 110.9° | 109.5° |
| C4' | C5' | H5'2 | 110.3° | 109.5° |
| C5' | C4' | C3' | 114.9° | 109.9° |
| C5' | C4' | O4' | 110.3° | 109.9° |
| C5' | C4' | H4' | 103.5° | 109.8° |
| H5'1 | C5' | H5'2 | 107.5° | 109.5° |
| C3' | C4' | O4' | 103.9° | 107.4° |
| C3' | C4' | H4' | 110.0° | 109.8° |
| C4' | C3' | O3' | 110.6° | 110.8° |
| C4' | C3' | C2' | 102.2° | 104.0° |
| C4' | C3' | H3' | 114.1° | 110.5° |
| O4' | C4' | H4' | 114.6° | 109.9° |
| C4' | O4' | C1' | 110.1° | 107.0° |
| O3' | C3' | C2' | 111.4° | 110.5° |
| O3' | C3' | H3' | 105.4° | 110.4° |
| C3' | O3' | H2 | 109.5° | 106.8° |
| C2' | C3' | H3' | 113.3° | 110.4° |
| C3' | C2' | O2' | 108.6° | 110.8° |
| C3' | C2' | C1' | 102.9° | 102.1° |
| C3' | C2' | H2' | 113.7° | 111.0° |
| O2' | C2' | C1' | 107.8° | 110.9° |
| O2' | C2' | H2' | 109.2° | 110.9° |
| C2' | O2' | H1 | 109.5° | 106.8° |
| C1' | C2' | H2' | 114.3° | 110.9° |
| C2' | C1' | O4' | 107.1° | 103.5° |
| C2' | C1' | N9 | 113.1° | 110.7° |
| C2' | C1' | H1' | 109.2° | 110.6° |
| O4' | C1' | N9 | 111.2° | 110.6° |
| O4' | C1' | H1' | 111.3° | 110.7° |
| N9 | C1' | H1' | 105.0° | 110.6° |
| C1' | N9 | C4 | 127.8° | 126.3° |
| C1' | N9 | C8 | 117.9° | 126.3° |
| C4 | N9 | C8 | 114.2° | 107.4° |
| N9 | C4 | N3 | 131.2° | 134.9° |
| N9 | C4 | C5 | 105.7° | 106.0° |
| N9 | C8 | N7 | 101.2° | 110.0° |
| N9 | C8 | H8 | 129.4° | 125.0° |
| N3 | C4 | C5 | 123.1° | 119.1° |
| C4 | N3 | C2 | 118.5° | 120.6° |
| C4 | C5 | C6 | 116.5° | 118.2° |
| C4 | C5 | N7 | 110.6° | 107.1° |
| N3 | C2 | N1 | 120.5° | 122.4° |
| N3 | C2 | H3 | 119.7° | 118.8° |
| N1 | C2 | H3 | 119.7° | 118.7° |
| C2 | N1 | C6 | 123.3° | 121.2° |
| N1 | C6 | N6 | 120.0° | 120.8° |
| N1 | C6 | C5 | 118.1° | 118.5° |
| N6 | C6 | C5 | 121.9° | 120.8° |
| C6 | N6 | HN61 | 125.5° | 120.0° |
| C6 | N6 | HN62 | 109.0° | 120.0° |
| C6 | C5 | N7 | 132.9° | 134.7° |
| HN61 | N6 | HN62 | 125.5° | 120.0° |
| C5 | N7 | C8 | 108.3° | 109.4° |
| N7 | C8 | H8 | 129.4° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P | O1P | O3P | 120.1° | 120.0° |
| O2P | P | O1P | O5' | 128.7° | 119.9° |
| O2P | P | O3P | O5' | 117.0° | 120.0° |
| O2P | P | O1P | HOP1 | 180.0° | 180.0° |
| O2P | P | O3P | C | 178.1° | 55.0° |
| O2P | P | O5' | C5' | 54.6° | 55.0° |
| O1P | P | O3P | O5' | 113.5° | 120.0° |
| O1P | P | O3P | C | 52.5° | 65.1° |
| O1P | P | O5' | C5' | 172.1° | 65.0° |
| O3P | P | O1P | HOP1 | 59.9° | 60.0° |
| P | O3P | C | O | 6.4° | 0.1° |
| P | O3P | C | CA | 174.1° | 180.0° |
| O3P | P | O5' | C5' | 56.8° | 175.0° |
| O5' | P | O1P | HOP1 | 51.3° | 60.1° |
| O5' | P | O3P | C | 61.1° | 174.9° |
| P | O5' | C5' | C4' | 130.9° | 180.0° |
| P | O5' | C5' | H5'1 | 108.1° | 60.0° |
| P | O5' | C5' | H5'2 | 10.9° | 60.0° |
| O3P | C | O | CA | 179.5° | 179.9° |
| O3P | C | CA | N | 151.8° | 160.0° |
| O3P | C | CA | CB | 87.0° | 79.9° |
| O3P | C | CA | HA | 33.8° | 40.1° |
| O | C | CA | N | 27.7° | 20.0° |
| O | C | CA | CB | 93.4° | 100.0° |
| O | C | CA | HA | 145.7° | 140.0° |
| C | CA | N | CB | 116.2° | 120.0° |
| C | CA | N | HA | 122.8° | 119.9° |
| C | CA | CB | HA | 122.7° | 120.0° |
| C | CA | N | HN1 | 112.9° | 180.0° |
| C | CA | N | HN2 | 7.1° | 59.9° |
| C | CA | N | HN3 | 127.1° | 60.0° |
| C | CA | CB | CG | 179.7° | 175.0° |
| C | CA | CB | HB1 | 60.7° | 55.0° |
| C | CA | CB | HB2 | 59.7° | 65.0° |
| N | CA | CB | HA | 118.0° | 120.0° |
| CA | N | HN1 | HN2 | 120.0° | 120.1° |
| CA | N | HN1 | HN3 | 120.0° | 120.0° |
| CA | N | HN2 | HN3 | 120.0° | 120.0° |
| N | CA | CB | CG | 60.4° | 65.0° |
| N | CA | CB | HB1 | 180.0° | 175.0° |
| N | CA | CB | HB2 | 59.6° | 55.0° |
| CB | CA | N | HN1 | 3.4° | 60.0° |
| CB | CA | N | HN2 | 123.4° | 180.0° |
| CB | CA | N | HN3 | 116.6° | 60.1° |
| CA | CB | CG | HB1 | 119.7° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 119.8° | 120.0° |
| CA | CB | CG | OD1 | 61.5° | 0.0° |
| CA | CB | CG | ND2 | 119.1° | 180.0° |
| HA | CA | N | HN1 | 124.4° | 60.0° |
| HA | CA | N | HN2 | 115.6° | 60.0° |
| HA | CA | N | HN3 | 4.4° | 179.9° |
| HA | CA | CB | CG | 57.6° | 55.0° |
| HA | CA | CB | HB1 | 62.0° | 65.0° |
| HA | CA | CB | HB2 | 177.7° | 175.0° |
| HN1 | N | HN2 | HN3 | 120.0° | 120.0° |
| CG | CB | HB1 | HB2 | 119.8° | 120.1° |
| CB | CG | OD1 | ND2 | 179.4° | 180.0° |
| CB | CG | ND2 | HD21 | 0.0° | 179.9° |
| CB | CG | ND2 | HD22 | 180.0° | 0.3° |
| HB1 | CB | CG | OD1 | 58.2° | 120.0° |
| HB1 | CB | CG | ND2 | 121.2° | 60.0° |
| HB2 | CB | CG | OD1 | 178.5° | 120.0° |
| HB2 | CB | CG | ND2 | 0.9° | 60.0° |
| OD1 | CG | ND2 | HD21 | 179.4° | 0.0° |
| OD1 | CG | ND2 | HD22 | 0.6° | 179.7° |
| CG | ND2 | HD21 | HD22 | 180.0° | 179.6° |
| O5' | C5' | C4' | H5'1 | 121.0° | 120.0° |
| O5' | C5' | C4' | H5'2 | 120.0° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 120.7° | 120.0° |
| O5' | C5' | C4' | C3' | 61.4° | 175.3° |
| O5' | C5' | C4' | O4' | 55.6° | 66.7° |
| O5' | C5' | C4' | H4' | 178.7° | 54.3° |
| C4' | C5' | H5'1 | H5'2 | 120.7° | 120.0° |
| C5' | C4' | C3' | O4' | 120.6° | 119.5° |
| C5' | C4' | C3' | H4' | 116.3° | 120.9° |
| C5' | C4' | O4' | H4' | 116.3° | 121.0° |
| C5' | C4' | C3' | O3' | 84.7° | 119.8° |
| C5' | C4' | C3' | C2' | 156.6° | 121.4° |
| C5' | C4' | C3' | H3' | 33.8° | 2.9° |
| C5' | C4' | O4' | C1' | 147.5° | 146.0° |
| H5'1 | C5' | C4' | C3' | 177.6° | 64.7° |
| H5'1 | C5' | C4' | O4' | 65.4° | 53.3° |
| H5'1 | C5' | C4' | H4' | 57.7° | 174.4° |
| H5'2 | C5' | C4' | C3' | 58.6° | 55.3° |
| H5'2 | C5' | C4' | O4' | 175.6° | 173.3° |
| H5'2 | C5' | C4' | H4' | 61.3° | 65.7° |
| C3' | C4' | O4' | H4' | 120.0° | 119.5° |
| C4' | C3' | O3' | C2' | 113.0° | 114.8° |
| C4' | C3' | O3' | H3' | 123.7° | 122.7° |
| C4' | C3' | C2' | H3' | 123.2° | 118.5° |
| C4' | C3' | O3' | H2 | 93.7° | 176.2° |
| C4' | C3' | C2' | O2' | 79.9° | 139.2° |
| C4' | C3' | C2' | C1' | 34.2° | 21.0° |
| C4' | C3' | C2' | H2' | 158.4° | 97.2° |
| C3' | C4' | O4' | C1' | 23.8° | 26.5° |
| O4' | C4' | C3' | O3' | 154.7° | 120.7° |
| O4' | C4' | C3' | C2' | 36.0° | 1.9° |
| O4' | C4' | C3' | H3' | 86.8° | 116.6° |
| C4' | O4' | C1' | C2' | 1.9° | 40.1° |
| C4' | O4' | C1' | N9 | 126.0° | 158.7° |
| C4' | O4' | C1' | H1' | 117.4° | 78.4° |
| H4' | C4' | C3' | O3' | 31.6° | 1.1° |
| H4' | C4' | C3' | C2' | 87.1° | 117.7° |
| H4' | C4' | C3' | H3' | 150.1° | 123.8° |
| H4' | C4' | O4' | C1' | 96.2° | 93.0° |
| O3' | C3' | C2' | H3' | 118.6° | 122.5° |
| O3' | C3' | C2' | O2' | 38.3° | 20.2° |
| O3' | C3' | C2' | C1' | 152.4° | 98.0° |
| O3' | C3' | C2' | H2' | 83.5° | 143.8° |
| C2' | C3' | O3' | H2 | 19.3° | 61.4° |
| C3' | C2' | O2' | C1' | 110.8° | 112.6° |
| C3' | C2' | O2' | H2' | 124.4° | 123.7° |
| C3' | C2' | C1' | H2' | 123.7° | 118.2° |
| C3' | C2' | O2' | H1 | 179.5° | 67.4° |
| C3' | C2' | C1' | O4' | 21.0° | 37.1° |
| C3' | C2' | C1' | N9 | 101.9° | 155.7° |
| C3' | C2' | C1' | H1' | 141.6° | 81.4° |
| H3' | C3' | O3' | H2 | 142.6° | 61.1° |
| H3' | C3' | C2' | O2' | 156.9° | 102.3° |
| H3' | C3' | C2' | C1' | 89.0° | 139.6° |
| H3' | C3' | C2' | H2' | 35.2° | 21.3° |
| O2' | C2' | C1' | H2' | 121.6° | 123.7° |
| O2' | C2' | C1' | O4' | 93.7° | 155.2° |
| O2' | C2' | C1' | N9 | 143.5° | 86.2° |
| O2' | C2' | C1' | H1' | 26.9° | 36.7° |
| C1' | C2' | O2' | H1 | 68.6° | 180.0° |
| C2' | C1' | O4' | N9 | 124.1° | 118.6° |
| C2' | C1' | O4' | H1' | 119.3° | 118.5° |
| C2' | C1' | N9 | H1' | 119.0° | 122.9° |
| C2' | C1' | N9 | C4 | 102.1° | 89.1° |
| C2' | C1' | N9 | C8 | 77.5° | 90.6° |
| H2' | C2' | O2' | H1 | 56.1° | 56.3° |
| H2' | C2' | C1' | O4' | 144.7° | 81.1° |
| H2' | C2' | C1' | N9 | 21.9° | 37.4° |
| H2' | C2' | C1' | H1' | 94.7° | 160.3° |
| O4' | C1' | N9 | H1' | 120.4° | 123.0° |
| O4' | C1' | N9 | C4 | 137.3° | 156.7° |
| O4' | C1' | N9 | C8 | 43.1° | 23.5° |
| C1' | N9 | C4 | C8 | 179.6° | 179.8° |
| C1' | N9 | C4 | N3 | 0.3° | 0.7° |
| C1' | N9 | C4 | C5 | 179.9° | 179.9° |
| C1' | N9 | C8 | N7 | 179.9° | 180.0° |
| C1' | N9 | C8 | H8 | 0.1° | 0.0° |
| H1' | C1' | N9 | C4 | 16.9° | 33.8° |
| H1' | C1' | N9 | C8 | 163.5° | 146.5° |
| N9 | C4 | N3 | C5 | 179.5° | 179.1° |
| N9 | C4 | N3 | C2 | 179.3° | 179.6° |
| N9 | C4 | C5 | C6 | 179.5° | 179.8° |
| N9 | C4 | C5 | N7 | 0.2° | 0.4° |
| C4 | N9 | C8 | N7 | 0.3° | 0.2° |
| C4 | N9 | C8 | H8 | 179.7° | 179.8° |
| C8 | N9 | C4 | N3 | 179.2° | 179.5° |
| C8 | N9 | C4 | C5 | 0.3° | 0.4° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C4 | N3 | C2 | N1 | 0.6° | 0.3° |
| C4 | N3 | C2 | H3 | 179.4° | 179.8° |
| N3 | C4 | C5 | C6 | 0.9° | 0.5° |
| N3 | C4 | C5 | N7 | 179.4° | 179.7° |
| C5 | C4 | N3 | C2 | 1.2° | 0.6° |
| C4 | C5 | C6 | N1 | 0.0° | 0.3° |
| C4 | C5 | C6 | N6 | 179.0° | 179.7° |
| C4 | C5 | C6 | N7 | 179.6° | 179.8° |
| C4 | C5 | N7 | C8 | 0.0° | 0.2° |
| N3 | C2 | N1 | H3 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.3° | 0.0° |
| C2 | N1 | C6 | N6 | 179.6° | 180.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| H3 | C2 | N1 | C6 | 179.7° | 179.9° |
| N1 | C6 | N6 | C5 | 178.9° | 180.0° |
| N1 | C6 | N6 | HN61 | 179.5° | 180.0° |
| N1 | C6 | N6 | HN62 | 0.5° | 0.0° |
| N1 | C6 | C5 | N7 | 179.6° | 180.0° |
| C6 | N6 | HN61 | HN62 | 180.0° | 180.0° |
| N6 | C6 | C5 | N7 | 0.7° | 0.0° |
| C5 | C6 | N6 | HN61 | 0.6° | 0.0° |
| C5 | C6 | N6 | HN62 | 179.4° | 180.0° |
| C6 | C5 | N7 | C8 | 179.6° | 180.0° |
| C5 | N7 | C8 | H8 | 179.8° | 180.0° |
