2DT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| P | OP2 | sing | 1.61Å | 1.50Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| N1 | C1' | sing | 1.47Å | 1.48Å | |
| C6 | C5 | doub | 1.35Å | 1.35Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C2 | O2 | doub | 1.22Å | 1.21Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.41Å | 1.46Å | |
| C5 | C5M | sing | 1.51Å | 1.50Å | |
| C5M | H71 | sing | 1.09Å | 1.11Å | |
| C5M | H72 | sing | 1.09Å | 1.11Å | |
| C5M | H73 | sing | 1.09Å | 1.11Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| C2' | H2'' | sing | 1.09Å | 1.11Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.11Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| C3' | H3'1 | sing | 1.09Å | 1.11Å | |
| C3' | H3'2 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 120.2° | 109.5° |
| OP1 | P | OP3 | 105.1° | 109.5° |
| OP1 | P | O5' | 110.8° | 109.4° |
| OP2 | P | OP3 | 107.0° | 109.5° |
| OP2 | P | O5' | 107.6° | 109.5° |
| P | OP2 | HOP2 | 120.2° | 106.8° |
| OP3 | P | O5' | 104.9° | 109.5° |
| P | OP3 | HOP3 | 105.1° | 106.8° |
| P | O5' | C5' | 120.7° | 106.8° |
| O5' | C5' | C4' | 111.2° | 109.6° |
| O5' | C5' | H5' | 111.6° | 109.5° |
| O5' | C5' | H5'' | 111.6° | 109.5° |
| C6 | N1 | C2 | 121.2° | 120.6° |
| C6 | N1 | C1' | 120.9° | 119.7° |
| N1 | C6 | C5 | 123.5° | 119.7° |
| N1 | C6 | H6 | 119.5° | 120.2° |
| C2 | N1 | C1' | 117.9° | 119.7° |
| N1 | C2 | O2 | 122.8° | 119.6° |
| N1 | C2 | N3 | 114.9° | 120.9° |
| N1 | C1' | C2' | 116.7° | 109.9° |
| N1 | C1' | O4' | 107.9° | 109.8° |
| N1 | C1' | H1' | 104.8° | 109.9° |
| C5 | C6 | H6 | 117.1° | 120.1° |
| C6 | C5 | C4 | 118.1° | 119.1° |
| C6 | C5 | C5M | 123.1° | 120.5° |
| O2 | C2 | N3 | 122.3° | 119.5° |
| C2 | N3 | C4 | 127.2° | 120.3° |
| C2 | N3 | HN3 | 116.6° | 119.9° |
| C4 | N3 | HN3 | 116.2° | 119.9° |
| N3 | C4 | O4 | 119.9° | 120.3° |
| N3 | C4 | C5 | 115.0° | 119.4° |
| O4 | C4 | C5 | 125.0° | 120.3° |
| C4 | C5 | C5M | 118.8° | 120.4° |
| C5 | C5M | H71 | 123.1° | 109.5° |
| C5 | C5M | H72 | 107.3° | 109.5° |
| C5 | C5M | H73 | 107.3° | 109.5° |
| H71 | C5M | H72 | 107.4° | 109.5° |
| H71 | C5M | H73 | 107.4° | 109.5° |
| H72 | C5M | H73 | 102.4° | 109.4° |
| C1' | C2' | C3' | 103.8° | 104.2° |
| C1' | C2' | H2' | 114.4° | 110.6° |
| C1' | C2' | H2'' | 114.4° | 110.5° |
| C2' | C1' | O4' | 107.1° | 107.5° |
| C2' | C1' | H1' | 105.7° | 109.9° |
| C3' | C2' | H2' | 114.4° | 110.5° |
| C3' | C2' | H2'' | 114.4° | 110.4° |
| C2' | C3' | C4' | 102.7° | 102.1° |
| C2' | C3' | H3'1 | 114.7° | 110.9° |
| C2' | C3' | H3'2 | 114.8° | 110.9° |
| H2' | C2' | H2'' | 96.1° | 110.5° |
| C4' | C5' | H5' | 111.6° | 109.4° |
| C4' | C5' | H5'' | 111.5° | 109.4° |
| C5' | C4' | O4' | 108.4° | 110.7° |
| C5' | C4' | C3' | 116.1° | 110.7° |
| C5' | C4' | H4' | 104.6° | 110.5° |
| H5' | C5' | H5'' | 98.8° | 109.4° |
| O4' | C4' | C3' | 105.6° | 103.6° |
| O4' | C4' | H4' | 115.2° | 110.5° |
| C4' | O4' | C1' | 110.4° | 106.8° |
| C3' | C4' | H4' | 107.4° | 110.6° |
| C4' | C3' | H3'1 | 114.8° | 110.9° |
| C4' | C3' | H3'2 | 114.8° | 110.9° |
| O4' | C1' | H1' | 114.9° | 109.9° |
| H3'1 | C3' | H3'2 | 95.7° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 119.7° | 120.0° |
| OP1 | P | OP2 | O5' | 128.0° | 120.0° |
| OP1 | P | OP3 | O5' | 116.9° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O5' | C5' | 172.5° | 60.0° |
| OP2 | P | OP3 | O5' | 114.2° | 120.0° |
| OP2 | P | OP3 | HOP3 | 51.1° | 60.0° |
| OP2 | P | O5' | C5' | 39.2° | 180.0° |
| OP3 | P | OP2 | HOP2 | 60.4° | 60.0° |
| OP3 | P | O5' | C5' | 74.6° | 60.0° |
| O5' | P | OP2 | HOP2 | 51.9° | 180.0° |
| O5' | P | OP3 | HOP3 | 63.1° | 60.1° |
| P | O5' | C5' | C4' | 175.1° | 180.0° |
| P | O5' | C5' | H5' | 59.7° | 60.0° |
| P | O5' | C5' | H5'' | 49.8° | 60.0° |
| O5' | C5' | C4' | H5' | 125.3° | 120.1° |
| O5' | C5' | C4' | H5'' | 125.3° | 120.0° |
| O5' | C5' | H5' | H5'' | 117.5° | 120.0° |
| O5' | C5' | C4' | O4' | 60.5° | 65.7° |
| O5' | C5' | C4' | C3' | 58.0° | 180.0° |
| O5' | C5' | C4' | H4' | 176.1° | 57.1° |
| C6 | N1 | C2 | C1' | 179.8° | 179.9° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | N1 | C2 | O2 | 177.1° | 179.9° |
| C6 | N1 | C2 | N3 | 1.5° | 0.1° |
| N1 | C6 | C5 | C4 | 0.7° | 0.2° |
| N1 | C6 | C5 | C5M | 179.2° | 180.0° |
| C6 | N1 | C1' | C2' | 80.5° | 120.2° |
| C6 | N1 | C1' | O4' | 40.1° | 121.7° |
| C6 | N1 | C1' | H1' | 162.9° | 0.8° |
| C2 | N1 | C6 | C5 | 0.2° | 0.1° |
| C2 | N1 | C6 | H6 | 179.8° | 180.0° |
| N1 | C2 | O2 | N3 | 178.4° | 180.0° |
| N1 | C2 | N3 | C4 | 2.0° | 0.3° |
| N1 | C2 | N3 | HN3 | 178.0° | 180.0° |
| C2 | N1 | C1' | C2' | 99.7° | 59.6° |
| C2 | N1 | C1' | O4' | 139.7° | 58.4° |
| C2 | N1 | C1' | H1' | 16.9° | 179.3° |
| C1' | N1 | C6 | C5 | 179.6° | 179.9° |
| C1' | N1 | C6 | H6 | 0.4° | 0.1° |
| C1' | N1 | C2 | O2 | 3.1° | 0.1° |
| C1' | N1 | C2 | N3 | 178.3° | 180.0° |
| N1 | C1' | C2' | O4' | 121.0° | 119.5° |
| N1 | C1' | C2' | H1' | 116.1° | 121.0° |
| N1 | C1' | C2' | C3' | 100.9° | 121.4° |
| N1 | C1' | C2' | H2' | 133.9° | 119.9° |
| N1 | C1' | C2' | H2'' | 24.4° | 2.8° |
| N1 | C1' | O4' | C4' | 125.9° | 145.9° |
| N1 | C1' | O4' | H1' | 116.5° | 120.9° |
| C6 | C5 | C4 | N3 | 0.2° | 0.4° |
| C6 | C5 | C4 | O4 | 179.8° | 180.0° |
| C6 | C5 | C4 | C5M | 179.9° | 179.8° |
| C6 | C5 | C5M | H71 | 180.0° | 180.0° |
| C6 | C5 | C5M | H72 | 54.7° | 60.0° |
| C6 | C5 | C5M | H73 | 54.7° | 59.9° |
| H6 | C6 | C5 | C4 | 179.3° | 179.8° |
| H6 | C6 | C5 | C5M | 0.8° | 0.0° |
| O2 | C2 | N3 | C4 | 176.5° | 179.8° |
| O2 | C2 | N3 | HN3 | 3.5° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.7° |
| C2 | N3 | C4 | O4 | 178.4° | 180.0° |
| C2 | N3 | C4 | C5 | 1.2° | 0.4° |
| N3 | C4 | O4 | C5 | 179.5° | 179.6° |
| N3 | C4 | C5 | C5M | 179.6° | 179.8° |
| HN3 | N3 | C4 | O4 | 1.6° | 0.2° |
| HN3 | N3 | C4 | C5 | 178.8° | 179.8° |
| O4 | C4 | C5 | C5M | 0.1° | 0.2° |
| C4 | C5 | C5M | H71 | 0.1° | 0.2° |
| C4 | C5 | C5M | H72 | 125.4° | 119.8° |
| C4 | C5 | C5M | H73 | 125.1° | 120.2° |
| C5 | C5M | H71 | H72 | 125.3° | 120.0° |
| C5 | C5M | H71 | H73 | 125.2° | 120.0° |
| C5 | C5M | H72 | H73 | 112.8° | 120.0° |
| H71 | C5M | H72 | H73 | 113.0° | 120.0° |
| C1' | C2' | C3' | H2' | 125.3° | 118.8° |
| C1' | C2' | C3' | H2'' | 125.3° | 118.7° |
| C1' | C2' | H2' | H2'' | 120.2° | 122.7° |
| C2' | C1' | O4' | C4' | 0.5° | 26.3° |
| C1' | C2' | C3' | C4' | 30.6° | 20.9° |
| C2' | C1' | O4' | H1' | 117.0° | 119.5° |
| C1' | C2' | C3' | H3'1 | 155.9° | 139.1° |
| C1' | C2' | C3' | H3'2 | 94.7° | 97.3° |
| C3' | C2' | H2' | H2'' | 120.3° | 122.5° |
| C2' | C3' | C4' | C5' | 151.1° | 155.7° |
| C2' | C3' | C4' | O4' | 31.0° | 36.9° |
| C2' | C3' | C4' | H3'1 | 125.2° | 118.2° |
| C2' | C3' | C4' | H3'2 | 125.2° | 118.2° |
| C2' | C3' | C4' | H4' | 92.4° | 81.5° |
| C3' | C2' | C1' | O4' | 20.2° | 2.0° |
| C3' | C2' | C1' | H1' | 143.1° | 117.6° |
| C2' | C3' | H3'1 | H3'2 | 120.6° | 123.7° |
| H2' | C2' | C3' | C4' | 94.6° | 97.9° |
| H2' | C2' | C1' | O4' | 105.1° | 120.7° |
| H2' | C2' | C1' | H1' | 17.8° | 1.2° |
| H2' | C2' | C3' | H3'1 | 30.6° | 20.4° |
| H2' | C2' | C3' | H3'2 | 140.1° | 143.9° |
| H2'' | C2' | C3' | C4' | 155.9° | 139.6° |
| H2'' | C2' | C1' | O4' | 145.5° | 116.7° |
| H2'' | C2' | C1' | H1' | 91.6° | 123.8° |
| H2'' | C2' | C3' | H3'1 | 78.8° | 102.2° |
| H2'' | C2' | C3' | H3'2 | 30.6° | 21.4° |
| C4' | C5' | H5' | H5'' | 117.4° | 119.9° |
| C5' | C4' | O4' | C3' | 125.0° | 118.7° |
| C5' | C4' | O4' | H4' | 116.7° | 122.8° |
| C5' | C4' | C3' | H4' | 116.6° | 122.8° |
| C5' | C4' | O4' | C1' | 144.3° | 158.6° |
| C5' | C4' | C3' | H3'1 | 83.7° | 86.1° |
| C5' | C4' | C3' | H3'2 | 25.8° | 37.5° |
| H5' | C5' | C4' | O4' | 174.2° | 174.3° |
| H5' | C5' | C4' | C3' | 67.3° | 59.9° |
| H5' | C5' | C4' | H4' | 50.8° | 63.0° |
| H5'' | C5' | C4' | O4' | 64.8° | 54.3° |
| H5'' | C5' | C4' | C3' | 176.7° | 60.0° |
| H5'' | C5' | C4' | H4' | 58.6° | 177.1° |
| O4' | C4' | C3' | H4' | 123.4° | 118.4° |
| C4' | O4' | C1' | H1' | 117.6° | 93.2° |
| O4' | C4' | C3' | H3'1 | 156.2° | 155.2° |
| O4' | C4' | C3' | H3'2 | 94.2° | 81.3° |
| C3' | C4' | O4' | C1' | 19.3° | 39.9° |
| C4' | C3' | H3'1 | H3'2 | 120.7° | 123.6° |
| H4' | C4' | O4' | C1' | 99.0° | 78.6° |
| H4' | C4' | C3' | H3'1 | 32.8° | 36.7° |
| H4' | C4' | C3' | H3'2 | 142.4° | 160.3° |
