LCG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| C3' | C2' | sing | 1.57Å | 1.52Å | |
| C3' | C4' | sing | 1.57Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| C6' | C4' | sing | 1.56Å | 1.54Å | |
| C6' | O2' | sing | 1.44Å | 1.43Å | |
| C6' | H6'1 | sing | 1.09Å | 1.10Å | |
| C6' | H6'2 | sing | 1.09Å | 1.09Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | 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 | 1.34Å | 1.36Å | |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.43Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | N1 | sing | 1.35Å | 1.39Å | |
| C2' | C1' | sing | 1.56Å | 1.53Å | |
| C2' | O2' | sing | 1.46Å | 1.43Å | |
| C2' | H2' | sing | 1.09Å | 1.09Å | |
| C4' | O4' | sing | 1.46Å | 1.43Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| C2 | N1 | sing | 1.36Å | 1.38Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| C2 | N3 | doub | 1.31Å | 1.34Å | |
| N1 | H1 | sing | 0.97Å | 1.01Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| N2 | H21 | sing | 0.97Å | 1.01Å | |
| N2 | H22 | sing | 0.97Å | 1.01Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | O5' | 108.5° | 109.4° |
| OP1 | P | OP2 | 119.8° | 109.4° |
| OP1 | P | OP3 | 107.9° | 109.5° |
| O5' | P | OP2 | 107.8° | 109.5° |
| O5' | P | OP3 | 103.9° | 109.5° |
| P | O5' | C5' | 122.4° | 106.8° |
| OP2 | P | OP3 | 107.8° | 109.5° |
| P | OP2 | HOP2 | 119.8° | 106.8° |
| P | OP3 | HOP3 | 107.9° | 106.8° |
| O5' | C5' | C4' | 108.4° | 109.5° |
| O5' | C5' | H5' | 110.1° | 109.5° |
| O5' | C5' | H5'' | 109.7° | 109.5° |
| C4' | C5' | H5' | 109.7° | 109.5° |
| C4' | C5' | H5'' | 109.5° | 109.5° |
| C5' | C4' | C3' | 114.9° | 117.4° |
| C5' | C4' | C6' | 115.6° | 116.4° |
| C5' | C4' | O4' | 111.9° | 116.3° |
| H5' | C5' | H5'' | 109.5° | 109.4° |
| C2' | C3' | C4' | 88.3° | 93.2° |
| C2' | C3' | O3' | 114.2° | 112.6° |
| C2' | C3' | H3' | 113.3° | 112.6° |
| C3' | C2' | C1' | 101.0° | 99.0° |
| C3' | C2' | O2' | 105.3° | 101.1° |
| C3' | C2' | H2' | 114.6° | 116.7° |
| C4' | C3' | O3' | 115.2° | 112.6° |
| C4' | C3' | H3' | 111.9° | 112.5° |
| C3' | C4' | C6' | 100.1° | 99.0° |
| C3' | C4' | O4' | 104.3° | 101.2° |
| O3' | C3' | H3' | 112.0° | 112.1° |
| C3' | O3' | HO3' | 115.2° | 106.8° |
| C4' | C6' | O2' | 101.4° | 105.3° |
| C4' | C6' | H6'1 | 114.2° | 110.3° |
| C4' | C6' | H6'2 | 110.0° | 110.2° |
| C6' | C4' | O4' | 109.0° | 103.9° |
| O2' | C6' | H6'1 | 113.2° | 110.3° |
| O2' | C6' | H6'2 | 109.3° | 110.3° |
| C6' | O2' | C2' | 105.4° | 107.0° |
| H6'1 | C6' | H6'2 | 108.6° | 110.3° |
| C8 | N9 | C4 | 105.0° | 107.5° |
| C8 | N9 | C1' | 130.3° | 126.3° |
| N9 | C8 | N7 | 114.0° | 109.9° |
| N9 | C8 | H8 | 124.9° | 125.1° |
| C4 | N9 | C1' | 124.6° | 126.3° |
| N9 | C4 | C5 | 106.6° | 106.1° |
| N9 | C4 | N3 | 126.5° | 134.2° |
| N9 | C1' | C2' | 112.7° | 110.3° |
| N9 | C1' | O4' | 112.9° | 110.3° |
| N9 | C1' | H1' | 107.9° | 110.3° |
| N7 | C8 | H8 | 121.1° | 125.0° |
| C8 | N7 | C5 | 104.2° | 109.3° |
| C5 | C4 | N3 | 126.9° | 119.7° |
| C4 | C5 | N7 | 110.1° | 107.3° |
| C4 | C5 | C6 | 119.5° | 118.6° |
| C4 | N3 | C2 | 113.2° | 121.1° |
| N7 | C5 | C6 | 130.4° | 134.1° |
| C5 | C6 | O6 | 128.4° | 120.8° |
| C5 | C6 | N1 | 112.6° | 118.4° |
| O6 | C6 | N1 | 118.9° | 120.8° |
| C6 | N1 | C2 | 124.1° | 120.3° |
| C6 | N1 | H1 | 117.0° | 119.8° |
| C1' | C2' | O2' | 107.7° | 103.9° |
| C1' | C2' | H2' | 113.3° | 117.2° |
| C2' | C1' | O4' | 101.2° | 105.4° |
| C2' | C1' | H1' | 110.7° | 110.3° |
| O2' | C2' | H2' | 113.8° | 116.3° |
| C4' | O4' | C1' | 106.2° | 107.0° |
| O4' | C1' | H1' | 111.5° | 110.2° |
| N1 | C2 | N2 | 116.7° | 119.0° |
| N1 | C2 | N3 | 123.7° | 121.9° |
| C2 | N1 | H1 | 118.9° | 119.9° |
| N2 | C2 | N3 | 119.6° | 119.0° |
| C2 | N2 | H21 | 120.2° | 120.0° |
| C2 | N2 | H22 | 119.0° | 120.0° |
| H21 | N2 | H22 | 120.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | O5' | OP2 | 131.1° | 119.9° |
| OP1 | P | O5' | OP3 | 114.6° | 120.1° |
| OP1 | P | OP2 | OP3 | 123.8° | 120.0° |
| OP1 | P | O5' | C5' | 41.6° | 60.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| O5' | P | OP2 | OP3 | 111.6° | 120.1° |
| P | O5' | C5' | C4' | 179.0° | 180.0° |
| P | O5' | C5' | H5' | 59.1° | 60.0° |
| P | O5' | C5' | H5'' | 61.5° | 60.0° |
| O5' | P | OP2 | HOP2 | 55.4° | 180.0° |
| O5' | P | OP3 | HOP3 | 64.9° | 60.0° |
| OP2 | P | O5' | C5' | 172.7° | 180.0° |
| OP2 | P | OP3 | HOP3 | 49.3° | 60.1° |
| OP3 | P | O5' | C5' | 73.0° | 60.0° |
| OP3 | P | OP2 | HOP2 | 56.3° | 60.0° |
| O5' | C5' | C4' | H5' | 120.2° | 120.0° |
| O5' | C5' | C4' | H5'' | 119.6° | 120.0° |
| O5' | C5' | H5' | H5'' | 120.7° | 120.0° |
| O5' | C5' | C4' | C3' | 59.7° | 179.0° |
| O5' | C5' | C4' | C6' | 175.6° | 61.9° |
| O5' | C5' | C4' | O4' | 58.9° | 61.1° |
| C4' | C5' | H5' | H5'' | 120.2° | 120.0° |
| C5' | C4' | C3' | C2' | 178.6° | 177.2° |
| C5' | C4' | C3' | C6' | 124.5° | 126.1° |
| C5' | C4' | C3' | O4' | 122.8° | 127.7° |
| C5' | C4' | C3' | O3' | 65.4° | 61.1° |
| C5' | C4' | C3' | H3' | 64.1° | 66.7° |
| C5' | C4' | C6' | O4' | 127.0° | 129.3° |
| C5' | C4' | C6' | O2' | 167.1° | 158.9° |
| C5' | C4' | C6' | H6'1 | 70.9° | 39.9° |
| C5' | C4' | C6' | H6'2 | 51.4° | 82.1° |
| C5' | C4' | O4' | C1' | 159.3° | 166.2° |
| H5' | C5' | C4' | C3' | 179.9° | 61.0° |
| H5' | C5' | C4' | C6' | 64.2° | 178.0° |
| H5' | C5' | C4' | O4' | 61.3° | 59.0° |
| H5'' | C5' | C4' | C3' | 59.9° | 59.0° |
| H5'' | C5' | C4' | C6' | 56.0° | 58.1° |
| H5'' | C5' | C4' | O4' | 178.5° | 178.9° |
| C2' | C3' | C4' | O3' | 116.0° | 116.1° |
| C2' | C3' | C4' | H3' | 114.5° | 116.1° |
| C2' | C3' | O3' | H3' | 130.5° | 128.2° |
| C2' | C3' | C4' | C6' | 57.0° | 51.1° |
| C3' | C2' | O2' | C6' | 32.4° | 37.8° |
| C3' | C2' | C1' | N9 | 79.9° | 86.9° |
| C3' | C2' | C1' | O2' | 110.1° | 103.9° |
| C3' | C2' | C1' | H2' | 123.1° | 126.4° |
| C3' | C2' | O2' | H2' | 126.4° | 127.5° |
| C2' | C3' | C4' | O4' | 55.7° | 55.1° |
| C3' | C2' | C1' | O4' | 41.0° | 32.2° |
| C3' | C2' | C1' | H1' | 159.2° | 151.1° |
| C2' | C3' | O3' | HO3' | 80.0° | 61.5° |
| C4' | C3' | O3' | H3' | 129.4° | 128.1° |
| C3' | C4' | C6' | O4' | 109.0° | 103.9° |
| C3' | C4' | C6' | O2' | 43.0° | 32.1° |
| C3' | C4' | C6' | H6'1 | 165.1° | 86.9° |
| C3' | C4' | C6' | H6'2 | 72.6° | 151.1° |
| C4' | C3' | C2' | C1' | 56.5° | 51.1° |
| C4' | C3' | C2' | O2' | 55.4° | 55.1° |
| C4' | C3' | C2' | H2' | 178.7° | 177.7° |
| C3' | C4' | O4' | C1' | 34.5° | 37.8° |
| C4' | C3' | O3' | HO3' | 180.0° | 165.3° |
| O3' | C3' | C4' | C6' | 59.1° | 65.0° |
| O3' | C3' | C2' | C1' | 173.5° | 167.2° |
| O3' | C3' | C2' | O2' | 61.6° | 61.0° |
| O3' | C3' | C2' | H2' | 64.3° | 66.2° |
| O3' | C3' | C4' | O4' | 171.8° | 171.2° |
| H3' | C3' | C4' | C6' | 171.4° | 167.2° |
| H3' | C3' | C2' | C1' | 56.6° | 64.9° |
| H3' | C3' | C2' | O2' | 168.5° | 171.1° |
| H3' | C3' | C2' | H2' | 65.6° | 61.7° |
| H3' | C3' | C4' | O4' | 58.7° | 61.0° |
| H3' | C3' | O3' | HO3' | 50.6° | 66.7° |
| C4' | C6' | O2' | H6'1 | 122.7° | 119.1° |
| C4' | C6' | O2' | H6'2 | 116.1° | 118.9° |
| C4' | C6' | H6'1 | H6'2 | 123.1° | 122.0° |
| C4' | C6' | O2' | C2' | 6.7° | 3.3° |
| C6' | C4' | O4' | C1' | 71.7° | 64.5° |
| O2' | C6' | H6'1 | H6'2 | 121.6° | 122.0° |
| C6' | O2' | C2' | C1' | 74.8° | 64.5° |
| C6' | O2' | C2' | H2' | 158.7° | 165.3° |
| O2' | C6' | C4' | O4' | 66.0° | 71.8° |
| H6'1 | C6' | O2' | C2' | 129.4° | 122.4° |
| H6'1 | C6' | C4' | O4' | 56.0° | 169.2° |
| H6'2 | C6' | O2' | C2' | 109.5° | 115.6° |
| H6'2 | C6' | C4' | O4' | 178.4° | 47.1° |
| C8 | N9 | C4 | C1' | 177.1° | 180.0° |
| N9 | C8 | N7 | H8 | 179.0° | 180.0° |
| C8 | N9 | C4 | C5 | 2.1° | 0.1° |
| C8 | N9 | C4 | N3 | 179.1° | 180.0° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| C8 | N9 | C1' | C2' | 103.2° | 88.7° |
| C8 | N9 | C1' | O4' | 10.7° | 27.3° |
| C8 | N9 | C1' | H1' | 134.4° | 149.3° |
| C4 | N9 | C8 | N7 | 1.4° | 0.0° |
| C4 | N9 | C8 | H8 | 179.6° | 180.0° |
| N9 | C4 | C5 | N3 | 178.8° | 179.9° |
| N9 | C4 | C5 | N7 | 2.1° | 0.1° |
| N9 | C4 | C5 | C6 | 177.8° | 180.0° |
| C4 | N9 | C1' | C2' | 80.5° | 91.3° |
| C4 | N9 | C1' | O4' | 165.6° | 152.7° |
| C4 | N9 | C1' | H1' | 42.0° | 30.7° |
| N9 | C4 | N3 | C2 | 178.2° | 180.0° |
| C1' | N9 | C8 | N7 | 175.5° | 180.0° |
| C1' | N9 | C8 | H8 | 3.5° | 0.0° |
| C1' | N9 | C4 | C5 | 175.1° | 179.9° |
| C1' | N9 | C4 | N3 | 3.7° | 0.0° |
| N9 | C1' | C2' | O4' | 120.9° | 119.0° |
| N9 | C1' | C2' | H1' | 120.9° | 122.0° |
| N9 | C1' | C2' | O2' | 169.9° | 169.2° |
| N9 | C1' | C2' | H2' | 43.2° | 39.5° |
| N9 | C1' | O4' | C4' | 116.7° | 122.3° |
| N9 | C1' | O4' | H1' | 121.6° | 122.0° |
| C8 | N7 | C5 | C4 | 1.2° | 0.0° |
| C8 | N7 | C5 | C6 | 178.7° | 180.0° |
| H8 | C8 | N7 | C5 | 179.2° | 180.0° |
| C4 | C5 | N7 | C6 | 180.0° | 179.9° |
| C4 | C5 | C6 | O6 | 179.1° | 179.9° |
| C4 | C5 | C6 | N1 | 0.5° | 0.3° |
| C5 | C4 | N3 | C2 | 0.3° | 0.1° |
| N3 | C4 | C5 | N7 | 179.1° | 180.0° |
| N3 | C4 | C5 | C6 | 1.0° | 0.1° |
| C4 | N3 | C2 | N1 | 0.7° | 0.3° |
| C4 | N3 | C2 | N2 | 179.1° | 180.0° |
| N7 | C5 | C6 | O6 | 0.8° | 0.0° |
| N7 | C5 | C6 | N1 | 179.5° | 179.6° |
| C5 | C6 | O6 | N1 | 179.6° | 179.7° |
| C5 | C6 | N1 | C2 | 0.5° | 0.6° |
| C5 | C6 | N1 | H1 | 179.5° | 179.9° |
| O6 | C6 | N1 | C2 | 179.9° | 179.7° |
| O6 | C6 | N1 | H1 | 0.1° | 0.4° |
| C6 | N1 | C2 | H1 | 180.0° | 179.3° |
| C6 | N1 | C2 | N2 | 178.7° | 179.6° |
| C6 | N1 | C2 | N3 | 1.1° | 0.7° |
| C1' | C2' | O2' | H2' | 126.4° | 130.3° |
| C2' | C1' | O4' | C4' | 4.0° | 3.3° |
| C2' | C1' | O4' | H1' | 117.7° | 119.0° |
| O2' | C2' | C1' | O4' | 69.2° | 71.7° |
| O2' | C2' | C1' | H1' | 49.1° | 47.2° |
| H2' | C2' | C1' | O4' | 164.1° | 158.5° |
| H2' | C2' | C1' | H1' | 77.7° | 82.5° |
| C4' | O4' | C1' | H1' | 121.6° | 115.7° |
| N1 | C2 | N2 | N3 | 179.8° | 179.7° |
| N1 | C2 | N2 | H21 | 0.6° | 179.6° |
| N1 | C2 | N2 | H22 | 179.2° | 0.6° |
| N2 | C2 | N1 | H1 | 1.3° | 0.3° |
| C2 | N2 | H21 | H22 | 179.9° | 179.8° |
| N3 | C2 | N1 | H1 | 178.9° | 180.0° |
| N3 | C2 | N2 | H21 | 179.2° | 0.0° |
| N3 | C2 | N2 | H22 | 0.9° | 179.8° |
