ATL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP1 | P | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.61Å | |
| P | OXT | sing | 1.61Å | 1.62Å | |
| OP2 | HO2P | sing | 0.97Å | 0.95Å | |
| 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 | |
| C4' | O4' | sing | 1.46Å | 1.42Å | |
| C4' | C3' | sing | 1.57Å | 1.52Å | |
| C4' | C6' | sing | 1.56Å | 1.54Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.57Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| O3' | HA | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.46Å | 1.42Å | |
| C2' | C1' | sing | 1.56Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.09Å | |
| O2' | C6' | sing | 1.44Å | 1.42Å | |
| C1' | N1 | sing | 1.47Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| C6' | H9'1 | sing | 1.09Å | 1.09Å | |
| C6' | H9'2 | sing | 1.09Å | 1.09Å | |
| N1 | C2 | sing | 1.35Å | 1.40Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.39Å | |
| N3 | C4 | sing | 1.35Å | 1.39Å | |
| N3 | H3 | sing | 0.97Å | 1.01Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | C5 | sing | 1.42Å | 1.46Å | |
| C5 | C5M | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | |
| C5M | H71 | sing | 1.09Å | 1.09Å | |
| C5M | H72 | sing | 1.09Å | 1.09Å | |
| C5M | H73 | sing | 1.09Å | 1.09Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.6° | 109.4° |
| OP1 | P | O5' | 108.4° | 109.5° |
| OP1 | P | OXT | 107.8° | 109.5° |
| OP2 | P | O5' | 108.0° | 109.5° |
| OP2 | P | OXT | 108.3° | 109.5° |
| P | OP2 | HO2P | 119.5° | 106.8° |
| O5' | P | OXT | 103.6° | 109.5° |
| P | O5' | C5' | 122.3° | 106.8° |
| P | OXT | HXT | 107.9° | 106.9° |
| O5' | C5' | C4' | 108.8° | 109.5° |
| O5' | C5' | H5' | 109.4° | 109.5° |
| O5' | C5' | H5'' | 110.3° | 109.5° |
| C4' | C5' | H5' | 110.1° | 109.5° |
| C4' | C5' | H5'' | 108.9° | 109.5° |
| C5' | C4' | O4' | 110.5° | 116.3° |
| C5' | C4' | C3' | 117.3° | 117.4° |
| C5' | C4' | C6' | 115.4° | 116.4° |
| H5' | C5' | H5'' | 109.3° | 109.3° |
| O4' | C4' | C3' | 102.4° | 101.2° |
| O4' | C4' | C6' | 109.1° | 103.8° |
| C4' | O4' | C1' | 106.2° | 107.0° |
| C3' | C4' | C6' | 101.1° | 99.0° |
| C4' | C3' | O3' | 115.6° | 112.6° |
| C4' | C3' | C2' | 88.8° | 93.2° |
| C4' | C3' | H3' | 111.7° | 112.5° |
| C4' | C6' | O2' | 102.6° | 105.3° |
| C4' | C6' | H9'1 | 111.3° | 110.3° |
| C4' | C6' | H9'2 | 110.5° | 110.3° |
| O4' | C1' | C2' | 101.7° | 105.4° |
| O4' | C1' | N1 | 113.3° | 110.2° |
| O4' | C1' | H1' | 108.3° | 110.3° |
| O3' | C3' | C2' | 113.1° | 112.6° |
| O3' | C3' | H3' | 112.4° | 112.1° |
| C3' | O3' | HA | 115.6° | 106.8° |
| C2' | C3' | H3' | 113.3° | 112.6° |
| C3' | C2' | O2' | 105.1° | 101.0° |
| C3' | C2' | C1' | 99.5° | 99.0° |
| C3' | C2' | H2' | 114.6° | 116.7° |
| O2' | C2' | C1' | 109.4° | 103.8° |
| O2' | C2' | H2' | 113.5° | 116.3° |
| C2' | O2' | C6' | 105.1° | 107.0° |
| C1' | C2' | H2' | 113.4° | 117.2° |
| C2' | C1' | N1 | 114.0° | 110.3° |
| C2' | C1' | H1' | 109.8° | 110.3° |
| O2' | C6' | H9'1 | 111.6° | 110.3° |
| O2' | C6' | H9'2 | 110.0° | 110.2° |
| N1 | C1' | H1' | 109.6° | 110.3° |
| C1' | N1 | C2 | 118.4° | 119.7° |
| C1' | N1 | C6 | 120.8° | 119.7° |
| H9'1 | C6' | H9'2 | 110.6° | 110.3° |
| C2 | N1 | C6 | 120.6° | 120.6° |
| N1 | C2 | O2 | 123.4° | 119.6° |
| N1 | C2 | N3 | 116.2° | 121.0° |
| N1 | C6 | C5 | 122.2° | 119.7° |
| N1 | C6 | H6 | 119.4° | 120.1° |
| O2 | C2 | N3 | 120.4° | 119.4° |
| C2 | N3 | C4 | 126.3° | 120.2° |
| C2 | N3 | H3 | 116.9° | 120.0° |
| C4 | N3 | H3 | 116.7° | 119.8° |
| N3 | C4 | O4 | 119.6° | 120.3° |
| N3 | C4 | C5 | 114.1° | 119.4° |
| O4 | C4 | C5 | 126.3° | 120.3° |
| C4 | C5 | C5M | 121.1° | 120.4° |
| C4 | C5 | C6 | 120.5° | 119.1° |
| C5M | C5 | C6 | 118.4° | 120.5° |
| C5 | C5M | H71 | 110.0° | 109.5° |
| C5 | C5M | H72 | 110.2° | 109.5° |
| C5 | C5M | H73 | 109.7° | 109.5° |
| C5 | C6 | H6 | 118.4° | 120.2° |
| H71 | C5M | H72 | 108.1° | 109.4° |
| H71 | C5M | H73 | 109.9° | 109.5° |
| H72 | C5M | H73 | 108.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 124.5° | 120.0° |
| OP1 | P | OP2 | OXT | 124.0° | 120.0° |
| OP1 | P | O5' | OXT | 114.4° | 120.0° |
| OP1 | P | OP2 | HO2P | 180.0° | 60.0° |
| OP1 | P | O5' | C5' | 33.7° | 60.0° |
| OP1 | P | OXT | HXT | 180.0° | 180.0° |
| OP2 | P | O5' | OXT | 114.7° | 120.0° |
| OP2 | P | O5' | C5' | 164.6° | 180.0° |
| OP2 | P | OXT | HXT | 49.3° | 60.0° |
| O5' | P | OP2 | HO2P | 55.5° | 180.0° |
| P | O5' | C5' | C4' | 156.3° | 180.0° |
| P | O5' | C5' | H5' | 83.3° | 59.9° |
| P | O5' | C5' | H5'' | 37.0° | 59.9° |
| O5' | P | OXT | HXT | 65.2° | 60.0° |
| OXT | P | OP2 | HO2P | 56.0° | 60.0° |
| OXT | P | O5' | C5' | 80.7° | 60.0° |
| O5' | C5' | C4' | H5' | 120.0° | 120.1° |
| O5' | C5' | C4' | H5'' | 120.2° | 120.1° |
| O5' | C5' | H5' | H5'' | 120.9° | 119.9° |
| O5' | C5' | C4' | O4' | 72.4° | 61.0° |
| O5' | C5' | C4' | C3' | 170.9° | 179.0° |
| O5' | C5' | C4' | C6' | 51.9° | 61.9° |
| C4' | C5' | H5' | H5'' | 119.5° | 120.0° |
| C5' | C4' | O4' | C3' | 125.7° | 128.4° |
| C5' | C4' | O4' | C6' | 127.8° | 129.3° |
| C5' | C4' | C3' | C6' | 126.3° | 126.2° |
| C5' | C4' | O4' | C1' | 163.2° | 166.1° |
| C5' | C4' | C3' | O3' | 65.3° | 61.1° |
| C5' | C4' | C3' | C2' | 179.5° | 177.3° |
| C5' | C4' | C3' | H3' | 64.8° | 66.7° |
| C5' | C4' | C6' | O2' | 165.9° | 158.9° |
| C5' | C4' | C6' | H9'1 | 74.6° | 82.0° |
| C5' | C4' | C6' | H9'2 | 48.6° | 40.0° |
| H5' | C5' | C4' | O4' | 167.7° | 178.9° |
| H5' | C5' | C4' | C3' | 50.9° | 58.9° |
| H5' | C5' | C4' | C6' | 68.1° | 58.2° |
| H5'' | C5' | C4' | O4' | 47.9° | 59.1° |
| H5'' | C5' | C4' | C3' | 68.9° | 61.0° |
| H5'' | C5' | C4' | C6' | 172.1° | 178.1° |
| O4' | C4' | C3' | C6' | 112.6° | 106.1° |
| O4' | C4' | C3' | O3' | 173.6° | 171.1° |
| O4' | C4' | C3' | C2' | 58.4° | 55.0° |
| O4' | C4' | C3' | H3' | 56.3° | 61.1° |
| C4' | O4' | C1' | C2' | 1.5° | 3.3° |
| O4' | C4' | C6' | O2' | 69.1° | 71.9° |
| C4' | O4' | C1' | N1 | 124.2° | 115.7° |
| C4' | O4' | C1' | H1' | 114.1° | 122.3° |
| O4' | C4' | C6' | H9'1 | 50.4° | 47.2° |
| O4' | C4' | C6' | H9'2 | 173.6° | 169.2° |
| C3' | C4' | O4' | C1' | 37.5° | 37.7° |
| C4' | C3' | O3' | C2' | 100.3° | 103.8° |
| C4' | C3' | O3' | H3' | 129.8° | 128.0° |
| C4' | C3' | C2' | H3' | 113.2° | 116.0° |
| C4' | C3' | O3' | HA | 180.0° | 165.2° |
| C4' | C3' | C2' | O2' | 55.9° | 55.1° |
| C4' | C3' | C2' | C1' | 57.3° | 51.0° |
| C4' | C3' | C2' | H2' | 178.7° | 177.7° |
| C3' | C4' | C6' | O2' | 38.3° | 32.1° |
| C3' | C4' | C6' | H9'1 | 157.8° | 151.1° |
| C3' | C4' | C6' | H9'2 | 79.0° | 86.8° |
| C6' | C4' | O4' | C1' | 69.0° | 64.6° |
| C6' | C4' | C3' | O3' | 61.0° | 65.0° |
| C6' | C4' | C3' | C2' | 54.2° | 51.1° |
| C6' | C4' | C3' | H3' | 168.9° | 167.2° |
| C4' | C6' | O2' | C2' | 1.7° | 3.4° |
| C4' | C6' | O2' | H9'1 | 119.3° | 119.0° |
| C4' | C6' | O2' | H9'2 | 117.6° | 118.9° |
| C4' | C6' | H9'1 | H9'2 | 123.2° | 122.0° |
| O4' | C1' | C2' | C3' | 39.5° | 32.1° |
| O4' | C1' | C2' | O2' | 70.4° | 71.7° |
| O4' | C1' | C2' | N1 | 122.2° | 118.9° |
| O4' | C1' | C2' | H1' | 114.5° | 119.1° |
| O4' | C1' | C2' | H2' | 161.7° | 158.5° |
| O4' | C1' | N1 | H1' | 121.0° | 122.0° |
| O4' | C1' | N1 | C2 | 160.5° | 167.0° |
| O4' | C1' | N1 | C6 | 14.6° | 13.1° |
| O3' | C3' | C2' | H3' | 129.4° | 127.9° |
| O3' | C3' | C2' | O2' | 61.5° | 61.0° |
| O3' | C3' | C2' | C1' | 174.8° | 167.1° |
| O3' | C3' | C2' | H2' | 63.9° | 66.2° |
| C2' | C3' | O3' | HA | 79.7° | 61.4° |
| C3' | C2' | O2' | C1' | 106.1° | 102.2° |
| C3' | C2' | O2' | H2' | 126.1° | 127.4° |
| C3' | C2' | C1' | H2' | 122.2° | 126.4° |
| C3' | C2' | O2' | C6' | 35.9° | 37.8° |
| C3' | C2' | C1' | N1 | 161.7° | 151.0° |
| C3' | C2' | C1' | H1' | 75.0° | 87.0° |
| H3' | C3' | O3' | HA | 50.2° | 66.7° |
| H3' | C3' | C2' | O2' | 169.1° | 171.1° |
| H3' | C3' | C2' | C1' | 55.9° | 65.1° |
| H3' | C3' | C2' | H2' | 65.5° | 61.7° |
| O2' | C2' | C1' | H2' | 127.9° | 129.8° |
| O2' | C2' | C1' | N1 | 51.9° | 47.2° |
| O2' | C2' | C1' | H1' | 175.2° | 169.2° |
| C2' | O2' | C6' | H9'1 | 121.0° | 115.7° |
| C2' | O2' | C6' | H9'2 | 115.9° | 122.3° |
| C1' | C2' | O2' | C6' | 70.2° | 64.4° |
| C2' | C1' | N1 | H1' | 123.4° | 122.0° |
| C2' | C1' | N1 | C2 | 84.0° | 77.1° |
| C2' | C1' | N1 | C6 | 101.0° | 102.9° |
| H2' | C2' | O2' | C6' | 162.0° | 165.3° |
| H2' | C2' | C1' | N1 | 76.1° | 82.6° |
| H2' | C2' | C1' | H1' | 47.3° | 39.4° |
| O2' | C6' | H9'1 | H9'2 | 122.8° | 122.0° |
| C1' | N1 | C2 | C6 | 175.0° | 179.9° |
| C1' | N1 | C2 | O2 | 4.7° | 0.1° |
| C1' | N1 | C2 | N3 | 174.9° | 180.0° |
| C1' | N1 | C6 | C5 | 173.6° | 180.0° |
| C1' | N1 | C6 | H6 | 5.0° | 0.1° |
| H1' | C1' | N1 | C2 | 39.5° | 44.9° |
| H1' | C1' | N1 | C6 | 135.5° | 135.1° |
| N1 | C2 | O2 | N3 | 179.6° | 179.9° |
| N1 | C2 | N3 | C4 | 0.3° | 0.3° |
| N1 | C2 | N3 | H3 | 179.0° | 179.9° |
| C2 | N1 | C6 | C5 | 1.3° | 0.1° |
| C2 | N1 | C6 | H6 | 179.9° | 180.0° |
| C6 | N1 | C2 | O2 | 179.7° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.1° |
| N1 | C6 | C5 | C4 | 2.1° | 0.2° |
| N1 | C6 | C5 | C5M | 176.9° | 180.0° |
| N1 | C6 | C5 | H6 | 178.6° | 179.9° |
| O2 | C2 | N3 | C4 | 179.4° | 179.7° |
| O2 | C2 | N3 | H3 | 1.4° | 0.0° |
| C2 | N3 | C4 | H3 | 179.2° | 179.6° |
| C2 | N3 | C4 | O4 | 179.5° | 180.0° |
| C2 | N3 | C4 | C5 | 0.5° | 0.5° |
| N3 | C4 | O4 | C5 | 180.0° | 179.4° |
| N3 | C4 | C5 | C5M | 177.3° | 179.7° |
| N3 | C4 | C5 | C6 | 1.6° | 0.5° |
| H3 | N3 | C4 | O4 | 0.3° | 0.4° |
| H3 | N3 | C4 | C5 | 179.7° | 179.8° |
| O4 | C4 | C5 | C5M | 2.7° | 0.3° |
| O4 | C4 | C5 | C6 | 178.4° | 180.0° |
| C4 | C5 | C5M | C6 | 179.0° | 179.7° |
| C4 | C5 | C5M | H71 | 40.3° | 0.3° |
| C4 | C5 | C5M | H72 | 159.3° | 119.7° |
| C4 | C5 | C5M | H73 | 80.7° | 120.3° |
| C4 | C5 | C6 | H6 | 179.3° | 179.7° |
| C5 | C5M | H71 | H72 | 120.4° | 120.0° |
| C5 | C5M | H71 | H73 | 120.9° | 120.0° |
| C5 | C5M | H72 | H73 | 120.4° | 120.0° |
| C5M | C5 | C6 | H6 | 1.7° | 0.1° |
| C6 | C5 | C5M | H71 | 138.7° | 180.0° |
| C6 | C5 | C5M | H72 | 19.6° | 60.0° |
| C6 | C5 | C5M | H73 | 100.3° | 60.0° |
| H71 | C5M | H72 | H73 | 119.4° | 120.0° |
