PA7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5' | O5' | doub | 1.21Å | 1.41Å | |
| C5' | N5' | sing | 1.35Å | 1.43Å | |
| C5' | C4' | sing | 1.51Å | 1.50Å | |
| N5' | C51 | sing | 1.47Å | 1.44Å | |
| N5' | H5' | sing | 0.97Å | 1.02Å | |
| C51 | C52 | sing | 1.53Å | 1.51Å | |
| C51 | H511 | sing | 1.09Å | 1.12Å | |
| C51 | H512 | sing | 1.09Å | 1.12Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | H521 | sing | 1.09Å | 1.11Å | |
| C52 | H522 | sing | 1.09Å | 1.11Å | |
| C53 | H531 | sing | 1.09Å | 1.12Å | |
| C53 | H532 | sing | 1.09Å | 1.12Å | |
| C53 | H533 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | H2 | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C1' | sing | 1.54Å | 1.55Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | H1 | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N9 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.43Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | N1 | doub | 1.33Å | 1.38Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | H3 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.39Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5' | C5' | N5' | 120.5° | 120.0° |
| O5' | C5' | C4' | 121.6° | 120.1° |
| N5' | C5' | C4' | 117.9° | 120.0° |
| C5' | N5' | C51 | 118.0° | 120.0° |
| C5' | N5' | H5' | 120.6° | 120.0° |
| C5' | C4' | O4' | 111.4° | 110.6° |
| C5' | C4' | C3' | 114.8° | 110.7° |
| C5' | C4' | H4' | 103.4° | 110.6° |
| C51 | N5' | H5' | 121.4° | 120.0° |
| N5' | C51 | C52 | 108.6° | 109.4° |
| N5' | C51 | H511 | 112.5° | 109.5° |
| N5' | C51 | H512 | 112.6° | 109.5° |
| C52 | C51 | H511 | 112.5° | 109.5° |
| C52 | C51 | H512 | 112.5° | 109.4° |
| C51 | C52 | C53 | 108.1° | 109.5° |
| C51 | C52 | H521 | 112.7° | 109.5° |
| C51 | C52 | H522 | 112.8° | 109.5° |
| H511 | C51 | H512 | 97.9° | 109.5° |
| C53 | C52 | H521 | 112.7° | 109.5° |
| C53 | C52 | H522 | 112.7° | 109.5° |
| C52 | C53 | H531 | 108.1° | 109.5° |
| C52 | C53 | H532 | 112.8° | 109.5° |
| C52 | C53 | H533 | 112.7° | 109.5° |
| H521 | C52 | H522 | 97.7° | 109.5° |
| H531 | C53 | H532 | 112.7° | 109.5° |
| H531 | C53 | H533 | 112.7° | 109.5° |
| H532 | C53 | H533 | 97.7° | 109.5° |
| O4' | C4' | C3' | 106.3° | 103.6° |
| O4' | C4' | H4' | 112.3° | 110.6° |
| C4' | O4' | C1' | 113.2° | 107.0° |
| C3' | C4' | H4' | 108.8° | 110.7° |
| C4' | C3' | O3' | 113.7° | 111.1° |
| C4' | C3' | C2' | 102.3° | 102.0° |
| C4' | C3' | H3' | 113.6° | 110.7° |
| O4' | C1' | C2' | 102.6° | 107.3° |
| O4' | C1' | N9 | 113.6° | 109.9° |
| O4' | C1' | H1' | 111.9° | 109.8° |
| O3' | C3' | C2' | 115.1° | 110.9° |
| O3' | C3' | H3' | 100.4° | 110.8° |
| C3' | O3' | H2 | 113.7° | 106.9° |
| C2' | C3' | H3' | 112.2° | 110.9° |
| C3' | C2' | O2' | 109.7° | 110.5° |
| C3' | C2' | C1' | 103.3° | 104.3° |
| C3' | C2' | H2' | 114.7° | 110.5° |
| O2' | C2' | C1' | 113.5° | 110.5° |
| O2' | C2' | H2' | 104.8° | 110.5° |
| C2' | O2' | H1 | 109.8° | 106.8° |
| C1' | C2' | H2' | 111.1° | 110.4° |
| C2' | C1' | N9 | 110.9° | 110.0° |
| C2' | C1' | H1' | 114.5° | 109.9° |
| N9 | C1' | H1' | 103.8° | 109.9° |
| C1' | N9 | C8 | 129.1° | 126.3° |
| C1' | N9 | C4 | 123.8° | 126.3° |
| C8 | N9 | C4 | 107.1° | 107.4° |
| N9 | C8 | N7 | 112.6° | 110.0° |
| N9 | C8 | H8 | 126.0° | 125.0° |
| N9 | C4 | C5 | 104.9° | 106.0° |
| N9 | C4 | N3 | 128.3° | 134.9° |
| N7 | C8 | H8 | 121.4° | 125.0° |
| C8 | N7 | C5 | 104.4° | 109.4° |
| N7 | C5 | C6 | 133.4° | 134.7° |
| N7 | C5 | C4 | 111.0° | 107.1° |
| C6 | C5 | C4 | 115.5° | 118.2° |
| C5 | C6 | N6 | 122.5° | 120.8° |
| C5 | C6 | N1 | 118.8° | 118.4° |
| C5 | C4 | N3 | 126.8° | 119.1° |
| N6 | C6 | N1 | 118.7° | 120.8° |
| C6 | N6 | HN61 | 122.5° | 120.0° |
| C6 | N6 | HN62 | 107.5° | 120.0° |
| C6 | N1 | C2 | 119.5° | 121.2° |
| HN61 | N6 | HN62 | 107.6° | 120.0° |
| N1 | C2 | N3 | 127.4° | 122.5° |
| N1 | C2 | H3 | 116.6° | 118.8° |
| N3 | C2 | H3 | 116.1° | 118.8° |
| C2 | N3 | C4 | 112.0° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | C5' | N5' | C4' | 179.2° | 180.0° |
| O5' | C5' | N5' | C51 | 94.9° | 0.0° |
| O5' | C5' | N5' | H5' | 85.1° | 180.0° |
| O5' | C5' | C4' | O4' | 70.8° | 1.4° |
| O5' | C5' | C4' | C3' | 50.1° | 112.8° |
| O5' | C5' | C4' | H4' | 168.4° | 124.3° |
| C5' | N5' | C51 | H5' | 180.0° | 180.0° |
| C5' | N5' | C51 | C52 | 145.4° | 180.0° |
| C5' | N5' | C51 | H511 | 89.3° | 60.0° |
| C5' | N5' | C51 | H512 | 20.2° | 60.1° |
| N5' | C5' | C4' | O4' | 108.4° | 178.6° |
| N5' | C5' | C4' | C3' | 130.7° | 67.2° |
| N5' | C5' | C4' | H4' | 12.4° | 55.8° |
| C4' | C5' | N5' | C51 | 85.9° | 180.0° |
| C4' | C5' | N5' | H5' | 94.1° | 0.0° |
| C5' | C4' | O4' | C3' | 125.7° | 118.6° |
| C5' | C4' | O4' | H4' | 115.4° | 122.8° |
| C5' | C4' | C3' | H4' | 115.2° | 122.9° |
| C5' | C4' | O4' | C1' | 128.2° | 158.6° |
| C5' | C4' | C3' | O3' | 88.4° | 86.3° |
| C5' | C4' | C3' | C2' | 146.8° | 155.4° |
| C5' | C4' | C3' | H3' | 25.6° | 37.3° |
| N5' | C51 | C52 | H511 | 125.3° | 120.0° |
| N5' | C51 | C52 | H512 | 125.3° | 120.0° |
| N5' | C51 | H511 | H512 | 118.5° | 120.1° |
| N5' | C51 | C52 | C53 | 120.1° | 180.0° |
| N5' | C51 | C52 | H521 | 114.7° | 60.0° |
| N5' | C51 | C52 | H522 | 5.1° | 60.0° |
| H5' | N5' | C51 | C52 | 34.6° | 0.0° |
| H5' | N5' | C51 | H511 | 90.6° | 120.0° |
| H5' | N5' | C51 | H512 | 159.9° | 119.9° |
| C52 | C51 | H511 | H512 | 118.4° | 120.0° |
| C51 | C52 | C53 | H521 | 125.2° | 120.0° |
| C51 | C52 | C53 | H522 | 125.3° | 120.0° |
| C51 | C52 | H521 | H522 | 118.7° | 120.0° |
| C51 | C52 | C53 | H531 | 180.0° | 60.0° |
| C51 | C52 | C53 | H532 | 54.7° | 180.0° |
| C51 | C52 | C53 | H533 | 54.8° | 60.0° |
| H511 | C51 | C52 | C53 | 5.2° | 60.0° |
| H511 | C51 | C52 | H521 | 120.1° | 180.0° |
| H511 | C51 | C52 | H522 | 130.4° | 60.0° |
| H512 | C51 | C52 | C53 | 114.6° | 60.0° |
| H512 | C51 | C52 | H521 | 10.6° | 60.0° |
| H512 | C51 | C52 | H522 | 120.2° | 180.0° |
| C53 | C52 | H521 | H522 | 118.6° | 120.0° |
| C52 | C53 | H531 | H532 | 125.4° | 120.0° |
| C52 | C53 | H531 | H533 | 125.3° | 120.0° |
| C52 | C53 | H532 | H533 | 118.7° | 120.0° |
| H521 | C52 | C53 | H531 | 54.7° | 180.0° |
| H521 | C52 | C53 | H532 | 180.0° | 60.0° |
| H521 | C52 | C53 | H533 | 70.5° | 60.0° |
| H522 | C52 | C53 | H531 | 54.7° | 60.0° |
| H522 | C52 | C53 | H532 | 70.6° | 60.0° |
| H522 | C52 | C53 | H533 | 180.0° | 180.0° |
| H531 | C53 | H532 | H533 | 118.5° | 120.0° |
| O4' | C4' | C3' | H4' | 121.1° | 118.6° |
| O4' | C4' | C3' | O3' | 147.9° | 155.1° |
| O4' | C4' | C3' | C2' | 23.2° | 36.8° |
| O4' | C4' | C3' | H3' | 98.0° | 81.3° |
| C4' | O4' | C1' | C2' | 19.0° | 26.5° |
| C4' | O4' | C1' | N9 | 100.8° | 146.1° |
| C4' | O4' | C1' | H1' | 142.2° | 92.9° |
| C3' | C4' | O4' | C1' | 2.5° | 40.0° |
| C4' | C3' | O3' | C2' | 117.6° | 112.7° |
| C4' | C3' | O3' | H3' | 121.7° | 123.6° |
| C4' | C3' | C2' | H3' | 122.1° | 118.0° |
| C4' | C3' | O3' | H2 | 180.0° | 67.2° |
| C4' | C3' | C2' | O2' | 87.6° | 98.0° |
| C4' | C3' | C2' | C1' | 33.8° | 20.7° |
| C4' | C3' | C2' | H2' | 154.8° | 139.4° |
| H4' | C4' | O4' | C1' | 116.4° | 78.6° |
| H4' | C4' | C3' | O3' | 26.8° | 36.6° |
| H4' | C4' | C3' | C2' | 98.0° | 81.7° |
| H4' | C4' | C3' | H3' | 140.8° | 160.2° |
| O4' | C1' | C2' | C3' | 32.6° | 2.1° |
| O4' | C1' | C2' | O2' | 86.2° | 120.9° |
| O4' | C1' | C2' | N9 | 121.6° | 119.5° |
| O4' | C1' | C2' | H1' | 121.4° | 119.4° |
| O4' | C1' | C2' | H2' | 156.1° | 116.6° |
| O4' | C1' | N9 | H1' | 121.7° | 121.0° |
| O4' | C1' | N9 | C8 | 4.6° | 23.6° |
| O4' | C1' | N9 | C4 | 173.2° | 156.7° |
| O3' | C3' | C2' | H3' | 114.0° | 123.6° |
| O3' | C3' | C2' | O2' | 36.3° | 20.4° |
| O3' | C3' | C2' | C1' | 157.6° | 139.1° |
| O3' | C3' | C2' | H2' | 81.3° | 102.2° |
| C2' | C3' | O3' | H2 | 62.4° | 180.0° |
| C3' | C2' | O2' | C1' | 115.0° | 114.9° |
| C3' | C2' | O2' | H2' | 123.7° | 122.6° |
| C3' | C2' | C1' | H2' | 123.5° | 118.7° |
| C3' | C2' | O2' | H1 | 180.0° | 65.1° |
| C3' | C2' | C1' | N9 | 89.0° | 121.6° |
| C3' | C2' | C1' | H1' | 154.0° | 117.2° |
| H3' | C3' | O3' | H2 | 58.3° | 56.3° |
| H3' | C3' | C2' | O2' | 150.3° | 144.0° |
| H3' | C3' | C2' | C1' | 88.4° | 97.2° |
| H3' | C3' | C2' | H2' | 32.7° | 21.4° |
| O2' | C2' | C1' | H2' | 117.7° | 122.5° |
| O2' | C2' | C1' | N9 | 152.2° | 119.6° |
| O2' | C2' | C1' | H1' | 35.2° | 1.5° |
| C1' | C2' | O2' | H1 | 65.0° | 180.0° |
| C2' | C1' | N9 | H1' | 123.4° | 121.1° |
| C2' | C1' | N9 | C8 | 110.2° | 94.3° |
| C2' | C1' | N9 | C4 | 71.9° | 85.3° |
| H2' | C2' | O2' | H1 | 56.3° | 57.5° |
| H2' | C2' | C1' | N9 | 34.5° | 2.9° |
| H2' | C2' | C1' | H1' | 82.5° | 124.0° |
| C1' | N9 | C8 | C4 | 178.1° | 179.7° |
| C1' | N9 | C8 | N7 | 178.9° | 179.9° |
| C1' | N9 | C8 | H8 | 1.1° | 0.0° |
| C1' | N9 | C4 | C5 | 178.6° | 179.9° |
| C1' | N9 | C4 | N3 | 0.8° | 0.8° |
| H1' | C1' | N9 | C8 | 126.3° | 144.5° |
| H1' | C1' | N9 | C4 | 51.5° | 35.8° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.8° | 0.1° |
| C8 | N9 | C4 | C5 | 0.3° | 0.4° |
| C8 | N9 | C4 | N3 | 179.1° | 179.5° |
| C4 | N9 | C8 | N7 | 0.8° | 0.2° |
| C4 | N9 | C8 | H8 | 179.3° | 179.7° |
| N9 | C4 | C5 | N7 | 0.2° | 0.4° |
| N9 | C4 | C5 | C6 | 179.8° | 179.8° |
| N9 | C4 | C5 | N3 | 179.4° | 179.3° |
| N9 | C4 | N3 | C2 | 179.4° | 179.6° |
| C8 | N7 | C5 | C6 | 179.3° | 180.0° |
| C8 | N7 | C5 | C4 | 0.6° | 0.3° |
| H8 | C8 | N7 | C5 | 179.2° | 180.0° |
| N7 | C5 | C6 | C4 | 179.9° | 179.7° |
| N7 | C5 | C6 | N6 | 0.1° | 0.0° |
| N7 | C5 | C6 | N1 | 179.5° | 180.0° |
| N7 | C5 | C4 | N3 | 179.6° | 179.7° |
| C5 | C6 | N6 | N1 | 179.5° | 180.0° |
| C5 | C6 | N6 | HN61 | 180.0° | 0.1° |
| C5 | C6 | N6 | HN62 | 54.7° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.1° |
| C6 | C5 | C4 | N3 | 0.4° | 0.5° |
| C4 | C5 | C6 | N6 | 180.0° | 179.7° |
| C4 | C5 | C6 | N1 | 0.5° | 0.3° |
| C5 | C4 | N3 | C2 | 0.2° | 0.5° |
| C6 | N6 | HN61 | HN62 | 125.2° | 179.9° |
| N6 | C6 | N1 | C2 | 179.9° | 179.9° |
| N1 | C6 | N6 | HN61 | 0.4° | 180.0° |
| N1 | C6 | N6 | HN62 | 125.7° | 0.1° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | H3 | 179.9° | 180.0° |
| N1 | C2 | N3 | H3 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.3° |
| H3 | C2 | N3 | C4 | 180.0° | 179.8° |
