ATD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| P | O3' | sing | 1.61Å | 1.62Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| O5' | HO'5 | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.06Å | |
| C4' | O4' | sing | 1.43Å | 1.41Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.05Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.06Å | |
| C2' | C1' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.08Å | |
| C2' | H2'' | sing | 1.09Å | 1.09Å | |
| C1' | N1 | sing | 1.46Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.09Å | |
| N1 | C2 | sing | 1.34Å | 1.40Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | C5 | sing | 1.41Å | 1.46Å | |
| C5 | C5M | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | |
| C5M | H71 | sing | 1.09Å | 1.09Å | |
| C5M | H72 | sing | 1.09Å | 1.08Å | |
| C5M | H73 | sing | 1.09Å | 1.09Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 120.5° | 109.5° |
| OP1 | P | OP3 | 108.8° | 109.5° |
| OP1 | P | O3' | 109.1° | 109.5° |
| OP2 | P | OP3 | 109.6° | 109.4° |
| OP2 | P | O3' | 108.4° | 109.5° |
| P | OP2 | HOP2 | 120.4° | 106.8° |
| OP3 | P | O3' | 98.3° | 109.4° |
| P | OP3 | HOP3 | 108.8° | 106.9° |
| P | O3' | C3' | 123.0° | 106.9° |
| C5' | O5' | HO'5 | 112.9° | 106.8° |
| O5' | C5' | C4' | 113.0° | 109.5° |
| O5' | C5' | H5' | 109.6° | 109.5° |
| O5' | C5' | H5'' | 108.2° | 109.5° |
| C4' | C5' | H5' | 111.3° | 109.5° |
| C4' | C5' | H5'' | 106.2° | 109.4° |
| C5' | C4' | O4' | 117.0° | 109.8° |
| C5' | C4' | C3' | 111.8° | 109.9° |
| C5' | C4' | H4' | 106.7° | 109.8° |
| H5' | C5' | H5'' | 108.3° | 109.5° |
| O4' | C4' | C3' | 105.7° | 107.7° |
| O4' | C4' | H4' | 106.2° | 109.9° |
| C4' | O4' | C1' | 111.0° | 109.9° |
| C3' | C4' | H4' | 109.1° | 109.8° |
| C4' | C3' | O3' | 109.6° | 111.1° |
| C4' | C3' | C2' | 103.8° | 102.2° |
| C4' | C3' | H3' | 111.6° | 110.8° |
| O4' | C1' | C2' | 107.6° | 105.2° |
| O4' | C1' | N1 | 112.9° | 110.4° |
| O4' | C1' | H1' | 104.8° | 110.3° |
| O3' | C3' | C2' | 112.4° | 110.9° |
| O3' | C3' | H3' | 107.5° | 110.7° |
| C2' | C3' | H3' | 112.0° | 110.8° |
| C3' | C2' | C1' | 103.2° | 101.0° |
| C3' | C2' | H2' | 112.8° | 111.1° |
| C3' | C2' | H2'' | 110.3° | 111.2° |
| C1' | C2' | H2' | 108.5° | 111.1° |
| C1' | C2' | H2'' | 112.3° | 111.1° |
| C2' | C1' | N1 | 106.7° | 110.3° |
| C2' | C1' | H1' | 114.6° | 110.3° |
| H2' | C2' | H2'' | 109.6° | 111.0° |
| N1 | C1' | H1' | 110.3° | 110.3° |
| C1' | N1 | C2 | 119.3° | 119.7° |
| C1' | N1 | C6 | 119.5° | 119.7° |
| C2 | N1 | C6 | 121.1° | 120.6° |
| N1 | C2 | O2 | 123.3° | 119.5° |
| N1 | C2 | N3 | 116.3° | 120.9° |
| N1 | C6 | C5 | 121.5° | 119.7° |
| N1 | C6 | H6 | 117.9° | 120.1° |
| O2 | C2 | N3 | 120.4° | 119.5° |
| C2 | N3 | C4 | 125.9° | 120.3° |
| C2 | N3 | H3 | 115.9° | 119.9° |
| C4 | N3 | H3 | 118.0° | 119.9° |
| N3 | C4 | O4 | 118.8° | 120.3° |
| N3 | C4 | C5 | 114.3° | 119.4° |
| O4 | C4 | C5 | 126.9° | 120.3° |
| C4 | C5 | C5M | 122.5° | 120.5° |
| C4 | C5 | C6 | 120.4° | 119.2° |
| C5M | C5 | C6 | 117.2° | 120.4° |
| C5 | C5M | H71 | 110.1° | 109.4° |
| C5 | C5M | H72 | 109.1° | 109.5° |
| C5 | C5M | H73 | 110.5° | 109.5° |
| C5 | C6 | H6 | 120.6° | 120.2° |
| H71 | C5M | H72 | 111.1° | 109.5° |
| H71 | C5M | H73 | 108.8° | 109.4° |
| H72 | C5M | H73 | 107.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 127.3° | 120.0° |
| OP1 | P | OP2 | O3' | 126.6° | 120.1° |
| OP1 | P | OP3 | O3' | 113.5° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 179.9° | 180.0° |
| OP1 | P | O3' | C3' | 9.5° | 60.0° |
| OP2 | P | OP3 | O3' | 112.9° | 120.0° |
| OP2 | P | OP3 | HOP3 | 46.5° | 60.0° |
| OP2 | P | O3' | C3' | 123.4° | 180.0° |
| OP3 | P | OP2 | HOP2 | 52.8° | 60.0° |
| OP3 | P | O3' | C3' | 122.7° | 60.0° |
| O3' | P | OP2 | HOP2 | 53.4° | 180.0° |
| O3' | P | OP3 | HOP3 | 66.4° | 60.0° |
| P | O3' | C3' | C4' | 73.5° | 125.6° |
| P | O3' | C3' | C2' | 171.7° | 121.5° |
| P | O3' | C3' | H3' | 48.0° | 2.0° |
| O5' | C5' | C4' | H5' | 123.9° | 120.0° |
| O5' | C5' | C4' | H5'' | 118.4° | 120.0° |
| O5' | C5' | H5' | H5'' | 117.9° | 120.0° |
| O5' | C5' | C4' | O4' | 53.8° | 61.8° |
| O5' | C5' | C4' | C3' | 175.9° | 180.0° |
| O5' | C5' | C4' | H4' | 65.0° | 59.1° |
| HO'5 | O5' | C5' | C4' | 180.0° | 180.0° |
| HO'5 | O5' | C5' | H5' | 55.2° | 60.0° |
| HO'5 | O5' | C5' | H5'' | 62.7° | 60.0° |
| C4' | C5' | H5' | H5'' | 116.4° | 119.9° |
| C5' | C4' | O4' | C3' | 125.2° | 119.6° |
| C5' | C4' | O4' | H4' | 119.0° | 120.9° |
| C5' | C4' | C3' | H4' | 117.7° | 120.8° |
| C5' | C4' | O4' | C1' | 103.3° | 118.1° |
| C5' | C4' | C3' | O3' | 141.0° | 100.7° |
| C5' | C4' | C3' | C2' | 98.8° | 141.0° |
| C5' | C4' | C3' | H3' | 22.0° | 22.8° |
| H5' | C5' | C4' | O4' | 177.6° | 178.2° |
| H5' | C5' | C4' | C3' | 60.3° | 59.9° |
| H5' | C5' | C4' | H4' | 58.9° | 60.9° |
| H5'' | C5' | C4' | O4' | 64.7° | 58.2° |
| H5'' | C5' | C4' | C3' | 57.4° | 60.0° |
| H5'' | C5' | C4' | H4' | 176.6° | 179.1° |
| O4' | C4' | C3' | H4' | 113.9° | 119.6° |
| O4' | C4' | C3' | O3' | 90.6° | 139.8° |
| O4' | C4' | C3' | C2' | 29.6° | 21.4° |
| O4' | C4' | C3' | H3' | 150.4° | 96.7° |
| C4' | O4' | C1' | C2' | 4.9° | 24.2° |
| C4' | O4' | C1' | N1 | 122.4° | 143.2° |
| C4' | O4' | C1' | H1' | 117.5° | 94.7° |
| C3' | C4' | O4' | C1' | 21.9° | 1.5° |
| C4' | C3' | O3' | C2' | 114.8° | 113.0° |
| C4' | C3' | O3' | H3' | 121.5° | 123.6° |
| C4' | C3' | C2' | H3' | 120.5° | 118.2° |
| C4' | C3' | C2' | C1' | 25.9° | 34.1° |
| C4' | C3' | C2' | H2' | 91.1° | 83.8° |
| C4' | C3' | C2' | H2'' | 146.0° | 152.0° |
| H4' | C4' | O4' | C1' | 137.7° | 121.1° |
| H4' | C4' | C3' | O3' | 23.3° | 20.2° |
| H4' | C4' | C3' | C2' | 143.5° | 98.2° |
| H4' | C4' | C3' | H3' | 95.7° | 143.7° |
| O4' | C1' | C2' | C3' | 13.8° | 36.3° |
| O4' | C1' | C2' | N1 | 121.4° | 119.0° |
| O4' | C1' | C2' | H1' | 116.2° | 118.9° |
| O4' | C1' | C2' | H2' | 106.2° | 81.6° |
| O4' | C1' | C2' | H2'' | 132.5° | 154.3° |
| O4' | C1' | N1 | H1' | 116.9° | 122.0° |
| O4' | C1' | N1 | C2 | 143.5° | 57.2° |
| O4' | C1' | N1 | C6 | 37.7° | 122.7° |
| O3' | C3' | C2' | H3' | 121.1° | 123.3° |
| O3' | C3' | C2' | C1' | 92.5° | 152.6° |
| O3' | C3' | C2' | H2' | 150.6° | 34.7° |
| O3' | C3' | C2' | H2'' | 27.7° | 89.5° |
| C3' | C2' | C1' | H2' | 119.9° | 117.9° |
| C3' | C2' | C1' | H2'' | 118.8° | 118.0° |
| C3' | C2' | H2' | H2'' | 123.3° | 124.3° |
| C3' | C2' | C1' | N1 | 107.7° | 155.4° |
| C3' | C2' | C1' | H1' | 130.0° | 82.6° |
| H3' | C3' | C2' | C1' | 146.4° | 84.1° |
| H3' | C3' | C2' | H2' | 29.4° | 158.0° |
| H3' | C3' | C2' | H2'' | 93.4° | 33.8° |
| C1' | C2' | H2' | H2'' | 123.0° | 124.2° |
| C2' | C1' | N1 | H1' | 125.1° | 122.1° |
| C2' | C1' | N1 | C2 | 98.5° | 58.7° |
| C2' | C1' | N1 | C6 | 80.3° | 121.4° |
| H2' | C2' | C1' | N1 | 132.4° | 37.5° |
| H2' | C2' | C1' | H1' | 10.0° | 159.5° |
| H2'' | C2' | C1' | N1 | 11.1° | 86.7° |
| H2'' | C2' | C1' | H1' | 111.3° | 35.4° |
| C1' | N1 | C2 | C6 | 178.8° | 179.9° |
| C1' | N1 | C2 | O2 | 2.5° | 0.1° |
| C1' | N1 | C2 | N3 | 176.3° | 180.0° |
| C1' | N1 | C6 | C5 | 173.0° | 179.9° |
| C1' | N1 | C6 | H6 | 6.2° | 0.0° |
| H1' | C1' | N1 | C2 | 26.6° | 179.2° |
| H1' | C1' | N1 | C6 | 154.7° | 0.7° |
| N1 | C2 | O2 | N3 | 178.7° | 179.9° |
| N1 | C2 | N3 | C4 | 0.9° | 0.3° |
| N1 | C2 | N3 | H3 | 175.3° | 180.0° |
| C2 | N1 | C6 | C5 | 8.2° | 0.0° |
| C2 | N1 | C6 | H6 | 172.5° | 180.0° |
| C6 | N1 | C2 | O2 | 176.3° | 180.0° |
| C6 | N1 | C2 | N3 | 4.9° | 0.1° |
| N1 | C6 | C5 | C4 | 5.6° | 0.2° |
| N1 | C6 | C5 | C5M | 173.6° | 180.0° |
| N1 | C6 | C5 | H6 | 179.2° | 180.0° |
| O2 | C2 | N3 | C4 | 178.0° | 179.8° |
| O2 | C2 | N3 | H3 | 3.6° | 0.1° |
| C2 | N3 | C4 | H3 | 174.3° | 179.7° |
| C2 | N3 | C4 | O4 | 178.4° | 179.9° |
| C2 | N3 | C4 | C5 | 3.2° | 0.4° |
| N3 | C4 | O4 | C5 | 178.1° | 179.6° |
| N3 | C4 | C5 | C5M | 179.1° | 179.8° |
| N3 | C4 | C5 | C6 | 0.0° | 0.4° |
| H3 | N3 | C4 | O4 | 4.1° | 0.2° |
| H3 | N3 | C4 | C5 | 177.5° | 179.9° |
| O4 | C4 | C5 | C5M | 2.7° | 0.1° |
| O4 | C4 | C5 | C6 | 178.2° | 180.0° |
| C4 | C5 | C5M | C6 | 179.2° | 179.9° |
| C4 | C5 | C5M | H71 | 36.6° | 0.2° |
| C4 | C5 | C5M | H72 | 85.6° | 119.7° |
| C4 | C5 | C5M | H73 | 156.8° | 120.2° |
| C4 | C5 | C6 | H6 | 175.2° | 179.8° |
| C5 | C5M | H71 | H72 | 121.0° | 120.0° |
| C5 | C5M | H71 | H73 | 121.2° | 120.1° |
| C5 | C5M | H72 | H73 | 119.6° | 120.1° |
| C5M | C5 | C6 | H6 | 5.6° | 0.0° |
| C6 | C5 | C5M | H71 | 142.6° | 179.9° |
| C6 | C5 | C5M | H72 | 95.2° | 60.1° |
| C6 | C5 | C5M | H73 | 22.3° | 59.9° |
| H71 | C5M | H72 | H73 | 118.8° | 120.0° |
