LCA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | sing | 1.61Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| P | O2P | doub | 1.48Å | 1.48Å | |
| P | OXT | sing | 1.61Å | 1.61Å | |
| O1P | H1P | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.09Å | |
| C5' | H5'2 | sing | 1.09Å | 1.09Å | |
| C3' | C2' | sing | 1.57Å | 1.52Å | |
| C3' | C4' | sing | 1.57Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| C6' | C4' | sing | 1.56Å | 1.53Å | |
| C6' | O2' | sing | 1.44Å | 1.42Å | |
| C6' | H6'1 | sing | 1.09Å | 1.09Å | |
| C6' | H6'2 | sing | 1.09Å | 1.09Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.49Å | |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.37Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C2' | C1' | sing | 1.56Å | 1.54Å | |
| C2' | O2' | sing | 1.45Å | 1.43Å | |
| C2' | H2'1 | sing | 1.09Å | 1.09Å | |
| N6 | H61 | sing | 0.97Å | 1.01Å | |
| N6 | H62 | sing | 0.97Å | 1.01Å | |
| C4' | O4' | sing | 1.46Å | 1.42Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| C2 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.09Å | |
| O3' | HB | sing | 0.97Å | 0.95Å | |
| OXT | HA | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O5' | 108.3° | 109.4° |
| O1P | P | O2P | 119.7° | 109.5° |
| O1P | P | OXT | 107.8° | 109.5° |
| P | O1P | H1P | 108.3° | 106.7° |
| O5' | P | O2P | 107.8° | 109.5° |
| O5' | P | OXT | 104.3° | 109.5° |
| P | O5' | C5' | 122.5° | 106.8° |
| O2P | P | OXT | 108.0° | 109.5° |
| P | OXT | HA | 107.8° | 106.9° |
| O5' | C5' | C4' | 108.2° | 109.5° |
| O5' | C5' | H5'1 | 109.9° | 109.4° |
| O5' | C5' | H5'2 | 109.9° | 109.5° |
| C4' | C5' | H5'1 | 109.6° | 109.5° |
| C4' | C5' | H5'2 | 109.7° | 109.4° |
| C5' | C4' | C3' | 115.7° | 117.3° |
| C5' | C4' | C6' | 116.4° | 116.4° |
| C5' | C4' | O4' | 111.2° | 116.3° |
| H5'1 | C5' | H5'2 | 109.5° | 109.5° |
| C2' | C3' | C4' | 88.4° | 93.1° |
| C2' | C3' | O3' | 113.9° | 112.5° |
| C2' | C3' | H3' | 113.5° | 112.6° |
| C3' | C2' | C1' | 102.0° | 98.9° |
| C3' | C2' | O2' | 104.5° | 101.1° |
| C3' | C2' | H2'1 | 114.5° | 116.8° |
| C4' | C3' | O3' | 114.6° | 112.6° |
| C4' | C3' | H3' | 112.0° | 112.6° |
| C3' | C4' | C6' | 101.2° | 99.1° |
| C3' | C4' | O4' | 104.3° | 101.2° |
| O3' | C3' | H3' | 112.4° | 112.1° |
| C3' | O3' | HB | 114.6° | 106.8° |
| C4' | C6' | O2' | 102.2° | 105.3° |
| C4' | C6' | H6'1 | 110.8° | 110.3° |
| C4' | C6' | H6'2 | 111.1° | 110.3° |
| C6' | C4' | O4' | 106.9° | 103.9° |
| O2' | C6' | H6'1 | 110.3° | 110.2° |
| O2' | C6' | H6'2 | 111.4° | 110.3° |
| C6' | O2' | C2' | 105.2° | 107.0° |
| H6'1 | C6' | H6'2 | 110.9° | 110.3° |
| C8 | N9 | C4 | 104.8° | 107.4° |
| C8 | N9 | C1' | 125.9° | 126.3° |
| N9 | C8 | N7 | 114.8° | 110.0° |
| N9 | C8 | H8 | 123.0° | 125.0° |
| C4 | N9 | C1' | 129.3° | 126.3° |
| N9 | C4 | C5 | 105.6° | 106.1° |
| N9 | C4 | N3 | 129.2° | 134.9° |
| N9 | C1' | C2' | 113.6° | 110.3° |
| N9 | C1' | O4' | 109.9° | 110.3° |
| N9 | C1' | H1' | 113.3° | 110.2° |
| N7 | C8 | H8 | 122.1° | 125.0° |
| C8 | N7 | C5 | 103.6° | 109.4° |
| C5 | C4 | N3 | 125.2° | 119.1° |
| C4 | C5 | N7 | 111.1° | 107.1° |
| C4 | C5 | C6 | 116.8° | 118.2° |
| C4 | N3 | C2 | 112.1° | 120.6° |
| N7 | C5 | C6 | 132.1° | 134.7° |
| C5 | C6 | N6 | 123.3° | 120.8° |
| C5 | C6 | N1 | 118.9° | 118.5° |
| N6 | C6 | N1 | 117.9° | 120.7° |
| C6 | N6 | H61 | 120.3° | 120.0° |
| C6 | N6 | H62 | 119.2° | 120.0° |
| C6 | N1 | C2 | 119.1° | 121.2° |
| C1' | C2' | O2' | 107.2° | 103.9° |
| C1' | C2' | H2'1 | 113.7° | 117.2° |
| C2' | C1' | O4' | 101.2° | 105.4° |
| C2' | C1' | H1' | 111.0° | 110.3° |
| O2' | C2' | H2'1 | 113.7° | 116.3° |
| H61 | N6 | H62 | 120.4° | 120.0° |
| C4' | O4' | C1' | 106.5° | 106.9° |
| O4' | C1' | H1' | 107.0° | 110.3° |
| N1 | C2 | N3 | 127.9° | 122.5° |
| N1 | C2 | H2 | 112.3° | 118.8° |
| N3 | C2 | H2 | 119.8° | 118.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O5' | O2P | 130.8° | 120.0° |
| O1P | P | O5' | OXT | 114.6° | 120.0° |
| O1P | P | O2P | OXT | 123.7° | 120.1° |
| O1P | P | O5' | C5' | 44.9° | 180.0° |
| O1P | P | OXT | HA | 180.0° | 59.9° |
| O5' | P | O2P | OXT | 112.1° | 120.0° |
| O5' | P | O1P | H1P | 180.0° | 180.0° |
| P | O5' | C5' | C4' | 177.6° | 180.0° |
| P | O5' | C5' | H5'1 | 57.9° | 60.0° |
| P | O5' | C5' | H5'2 | 62.7° | 60.0° |
| O5' | P | OXT | HA | 65.1° | 60.0° |
| O2P | P | O1P | H1P | 56.0° | 60.1° |
| O2P | P | O5' | C5' | 175.8° | 60.0° |
| O2P | P | OXT | HA | 49.4° | 180.0° |
| OXT | P | O1P | H1P | 67.8° | 60.0° |
| OXT | P | O5' | C5' | 69.6° | 60.1° |
| O5' | C5' | C4' | H5'1 | 119.9° | 120.0° |
| O5' | C5' | C4' | H5'2 | 119.8° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 120.8° | 120.0° |
| O5' | C5' | C4' | C3' | 62.7° | 179.0° |
| O5' | C5' | C4' | C6' | 178.7° | 61.9° |
| O5' | C5' | C4' | O4' | 55.9° | 61.0° |
| C4' | C5' | H5'1 | H5'2 | 120.4° | 120.0° |
| C5' | C4' | C3' | C2' | 178.3° | 177.2° |
| C5' | C4' | C3' | C6' | 126.7° | 126.1° |
| C5' | C4' | C3' | O4' | 122.4° | 127.7° |
| C5' | C4' | C3' | O3' | 66.1° | 61.2° |
| C5' | C4' | C3' | H3' | 63.5° | 66.7° |
| C5' | C4' | C6' | O4' | 125.0° | 129.2° |
| C5' | C4' | C6' | O2' | 164.5° | 158.9° |
| C5' | C4' | C6' | H6'1 | 47.1° | 40.0° |
| C5' | C4' | C6' | H6'2 | 76.6° | 82.1° |
| C5' | C4' | O4' | C1' | 162.1° | 166.2° |
| H5'1 | C5' | C4' | C3' | 177.4° | 59.0° |
| H5'1 | C5' | C4' | C6' | 58.8° | 58.0° |
| H5'1 | C5' | C4' | O4' | 63.9° | 179.0° |
| H5'2 | C5' | C4' | C3' | 57.1° | 61.0° |
| H5'2 | C5' | C4' | C6' | 61.5° | 178.1° |
| H5'2 | C5' | C4' | O4' | 175.8° | 59.0° |
| C2' | C3' | C4' | O3' | 115.6° | 116.0° |
| C2' | C3' | C4' | H3' | 114.8° | 116.1° |
| C2' | C3' | O3' | H3' | 130.9° | 128.1° |
| C2' | C3' | C4' | C6' | 55.1° | 51.1° |
| C3' | C2' | O2' | C6' | 37.0° | 37.8° |
| C3' | C2' | C1' | N9 | 79.8° | 86.9° |
| C3' | C2' | C1' | O2' | 109.5° | 103.9° |
| C3' | C2' | C1' | H2'1 | 123.8° | 126.4° |
| C3' | C2' | O2' | H2'1 | 125.6° | 127.5° |
| C2' | C3' | C4' | O4' | 55.8° | 55.1° |
| C3' | C2' | C1' | O4' | 37.9° | 32.2° |
| C3' | C2' | C1' | H1' | 151.2° | 151.2° |
| C2' | C3' | O3' | HB | 80.3° | 61.5° |
| C4' | C3' | O3' | H3' | 129.4° | 128.2° |
| C3' | C4' | C6' | O4' | 108.8° | 104.0° |
| C3' | C4' | C6' | O2' | 38.3° | 32.2° |
| C3' | C4' | C6' | H6'1 | 79.1° | 86.8° |
| C3' | C4' | C6' | H6'2 | 157.2° | 151.1° |
| C4' | C3' | C2' | C1' | 54.8° | 51.1° |
| C4' | C3' | C2' | O2' | 56.8° | 55.1° |
| C4' | C3' | C2' | H2'1 | 178.1° | 177.7° |
| C3' | C4' | O4' | C1' | 36.8° | 37.8° |
| C4' | C3' | O3' | HB | 180.0° | 165.2° |
| O3' | C3' | C4' | C6' | 60.6° | 64.9° |
| O3' | C3' | C2' | C1' | 171.1° | 167.2° |
| O3' | C3' | C2' | O2' | 59.5° | 61.0° |
| O3' | C3' | C2' | H2'1 | 65.7° | 66.2° |
| O3' | C3' | C4' | O4' | 171.5° | 171.1° |
| H3' | C3' | C4' | C6' | 169.8° | 167.1° |
| H3' | C3' | C2' | C1' | 58.6° | 65.0° |
| H3' | C3' | C2' | O2' | 170.2° | 171.2° |
| H3' | C3' | C2' | H2'1 | 64.7° | 61.7° |
| H3' | C3' | C4' | O4' | 58.9° | 61.0° |
| H3' | C3' | O3' | HB | 50.6° | 66.6° |
| C4' | C6' | O2' | H6'1 | 117.8° | 119.0° |
| C4' | C6' | O2' | H6'2 | 118.6° | 118.9° |
| C4' | C6' | H6'1 | H6'2 | 123.8° | 122.1° |
| C4' | C6' | O2' | C2' | 1.1° | 3.4° |
| C6' | C4' | O4' | C1' | 69.9° | 64.6° |
| O2' | C6' | H6'1 | H6'2 | 123.9° | 122.0° |
| C6' | O2' | C2' | C1' | 70.7° | 64.4° |
| C6' | O2' | C2' | H2'1 | 162.6° | 165.3° |
| O2' | C6' | C4' | O4' | 70.5° | 71.8° |
| H6'1 | C6' | O2' | C2' | 116.7° | 122.3° |
| H6'1 | C6' | C4' | O4' | 172.1° | 169.2° |
| H6'2 | C6' | O2' | C2' | 119.7° | 115.6° |
| H6'2 | C6' | C4' | O4' | 48.3° | 47.1° |
| C8 | N9 | C4 | C1' | 178.0° | 180.0° |
| N9 | C8 | N7 | H8 | 178.9° | 180.0° |
| C8 | N9 | C4 | C5 | 2.9° | 0.3° |
| C8 | N9 | C4 | N3 | 178.3° | 179.9° |
| N9 | C8 | N7 | C5 | 0.8° | 0.2° |
| C8 | N9 | C1' | C2' | 101.3° | 88.8° |
| C8 | N9 | C1' | O4' | 11.2° | 27.3° |
| C8 | N9 | C1' | H1' | 130.8° | 149.3° |
| C4 | N9 | C8 | N7 | 2.4° | 0.0° |
| C4 | N9 | C8 | H8 | 178.7° | 180.0° |
| N9 | C4 | C5 | N3 | 178.9° | 179.8° |
| N9 | C4 | C5 | N7 | 2.6° | 0.4° |
| N9 | C4 | C5 | C6 | 176.8° | 179.7° |
| C4 | N9 | C1' | C2' | 81.1° | 91.3° |
| C4 | N9 | C1' | O4' | 166.4° | 152.7° |
| C4 | N9 | C1' | H1' | 46.8° | 30.7° |
| N9 | C4 | N3 | C2 | 178.4° | 180.0° |
| C1' | N9 | C8 | N7 | 175.7° | 180.0° |
| C1' | N9 | C8 | H8 | 3.2° | 0.0° |
| C1' | N9 | C4 | C5 | 175.1° | 179.8° |
| C1' | N9 | C4 | N3 | 3.7° | 0.0° |
| N9 | C1' | C2' | O4' | 117.7° | 119.0° |
| N9 | C1' | C2' | H1' | 129.1° | 122.0° |
| N9 | C1' | C2' | O2' | 170.7° | 169.3° |
| N9 | C1' | C2' | H2'1 | 44.1° | 39.5° |
| N9 | C1' | O4' | C4' | 119.5° | 122.3° |
| N9 | C1' | O4' | H1' | 123.4° | 122.0° |
| C8 | N7 | C5 | C4 | 1.2° | 0.4° |
| C8 | N7 | C5 | C6 | 178.2° | 179.5° |
| H8 | C8 | N7 | C5 | 179.7° | 179.8° |
| C4 | C5 | N7 | C6 | 179.4° | 179.1° |
| C4 | C5 | C6 | N6 | 177.5° | 179.7° |
| C4 | C5 | C6 | N1 | 2.4° | 0.6° |
| C5 | C4 | N3 | C2 | 0.3° | 0.2° |
| N3 | C4 | C5 | N7 | 178.5° | 179.7° |
| N3 | C4 | C5 | C6 | 2.0° | 0.5° |
| C4 | N3 | C2 | N1 | 1.3° | 0.1° |
| C4 | N3 | C2 | H2 | 178.2° | 180.0° |
| N7 | C5 | C6 | N6 | 1.9° | 0.8° |
| N7 | C5 | C6 | N1 | 178.2° | 179.6° |
| C5 | C6 | N6 | N1 | 179.9° | 179.7° |
| C5 | C6 | N6 | H61 | 177.4° | 179.6° |
| C5 | C6 | N6 | H62 | 0.5° | 0.5° |
| C5 | C6 | N1 | C2 | 1.1° | 0.3° |
| C6 | N6 | H61 | H62 | 176.8° | 179.8° |
| N6 | C6 | N1 | C2 | 178.8° | 180.0° |
| N1 | C6 | N6 | H61 | 2.6° | 0.0° |
| N1 | C6 | N6 | H62 | 179.4° | 179.8° |
| C6 | N1 | C2 | N3 | 0.9° | 0.0° |
| C6 | N1 | C2 | H2 | 178.7° | 180.0° |
| C1' | C2' | O2' | H2'1 | 126.6° | 130.3° |
| C2' | C1' | O4' | C4' | 0.9° | 3.2° |
| C2' | C1' | O4' | H1' | 116.2° | 119.0° |
| O2' | C2' | C1' | O4' | 71.6° | 71.7° |
| O2' | C2' | C1' | H1' | 41.6° | 47.3° |
| H2'1 | C2' | C1' | O4' | 161.8° | 158.5° |
| H2'1 | C2' | C1' | H1' | 85.0° | 82.5° |
| C4' | O4' | C1' | H1' | 117.1° | 115.7° |
| N1 | C2 | N3 | H2 | 179.5° | 179.9° |
