2AT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.50Å | 1.50Å | |
| P | OP2 | sing | 1.62Å | 1.49Å | |
| P | O5' | sing | 1.62Å | 1.57Å | |
| P | OP3 | sing | 1.62Å | 12.70Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.41Å | |
| C5' | C4' | sing | 1.52Å | 1.49Å | |
| C5' | H5' | sing | 1.09Å | 1.12Å | |
| C5' | H5'' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.52Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C1' | N1 | sing | 1.43Å | 1.49Å | |
| C1' | C2' | sing | 1.52Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N1 | C6 | sing | 1.39Å | 1.38Å | |
| N1 | C2 | sing | 1.41Å | 1.38Å | |
| C6 | C5 | doub | 1.34Å | 1.35Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | doub | 1.23Å | 1.23Å | |
| C2 | N3 | sing | 1.40Å | 1.37Å | |
| N3 | C4 | sing | 1.39Å | 1.38Å | |
| N3 | HN3 | sing | 1.02Å | 1.02Å | |
| C4 | O4 | doub | 1.23Å | 1.21Å | |
| C4 | C5 | sing | 1.49Å | 1.45Å | |
| C5 | C5M | sing | 1.50Å | 1.49Å | |
| C5M | H71 | sing | 1.09Å | 1.12Å | |
| C5M | H72 | sing | 1.09Å | 1.11Å | |
| C5M | H73 | sing | 1.09Å | 1.11Å | |
| C2' | O2' | sing | 1.41Å | 1.43Å | |
| C2' | C3' | sing | 1.51Å | 1.52Å | |
| C2' | H2' | sing | 1.10Å | 1.11Å | |
| O2' | CB' | sing | 1.42Å | 1.43Å | |
| CB' | CC' | sing | 1.49Å | 1.50Å | |
| CB' | HB'1 | sing | 1.09Å | 1.12Å | |
| CB' | HB'2 | sing | 1.09Å | 1.11Å | |
| CC' | CD' | doub | 1.34Å | 1.34Å | |
| CC' | HC' | sing | 1.09Å | 1.10Å | |
| CD' | HD'1 | sing | 1.08Å | 1.10Å | |
| CD' | HD'2 | sing | 1.08Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.7° | 115.3° |
| OP1 | P | O5' | 108.0° | 115.0° |
| OP1 | P | OP3 | 123.8° | 114.9° |
| OP2 | P | O5' | 110.9° | 103.8° |
| OP2 | P | OP3 | 108.5° | 103.3° |
| P | OP2 | HOP2 | 119.7° | 119.0° |
| O5' | P | OP3 | 77.5° | 102.9° |
| P | O5' | C5' | 119.2° | 118.5° |
| P | OP3 | HOP3 | 123.8° | 119.0° |
| O5' | C5' | C4' | 110.0° | 108.6° |
| O5' | C5' | H5' | 112.0° | 109.2° |
| O5' | C5' | H5'' | 112.0° | 109.3° |
| C4' | C5' | H5' | 112.0° | 110.1° |
| C4' | C5' | H5'' | 112.0° | 110.1° |
| C5' | C4' | O4' | 109.3° | 108.2° |
| C5' | C4' | C3' | 115.3° | 113.3° |
| C5' | C4' | H4' | 104.0° | 109.3° |
| H5' | C5' | H5'' | 98.4° | 109.6° |
| O4' | C4' | C3' | 103.8° | 105.9° |
| O4' | C4' | H4' | 115.4° | 107.7° |
| C4' | O4' | C1' | 109.1° | 109.2° |
| C3' | C4' | H4' | 109.5° | 112.2° |
| C4' | C3' | C2' | 101.5° | 102.1° |
| C4' | C3' | O3' | 113.1° | 107.9° |
| C4' | C3' | H3' | 113.6° | 114.5° |
| O4' | C1' | N1 | 109.2° | 109.0° |
| O4' | C1' | C2' | 106.9° | 106.5° |
| O4' | C1' | H1' | 111.9° | 108.9° |
| N1 | C1' | C2' | 111.2° | 112.5° |
| N1 | C1' | H1' | 107.7° | 107.3° |
| C1' | N1 | C6 | 122.6° | 118.5° |
| C1' | N1 | C2 | 115.9° | 121.3° |
| C2' | C1' | H1' | 109.9° | 112.6° |
| C1' | C2' | O2' | 107.1° | 112.6° |
| C1' | C2' | C3' | 100.8° | 102.0° |
| C1' | C2' | H2' | 116.1° | 111.1° |
| C6 | N1 | C2 | 121.5° | 120.2° |
| N1 | C6 | C5 | 123.0° | 124.5° |
| N1 | C6 | H6 | 119.5° | 114.7° |
| N1 | C2 | O2 | 122.5° | 123.8° |
| N1 | C2 | N3 | 115.0° | 115.1° |
| C5 | C6 | H6 | 117.5° | 120.7° |
| C6 | C5 | C4 | 117.9° | 118.4° |
| C6 | C5 | C5M | 123.5° | 123.6° |
| O2 | C2 | N3 | 122.4° | 121.1° |
| C2 | N3 | C4 | 127.0° | 127.0° |
| C2 | N3 | HN3 | 115.8° | 116.4° |
| C4 | N3 | HN3 | 117.2° | 116.6° |
| N3 | C4 | O4 | 119.9° | 123.6° |
| N3 | C4 | C5 | 115.5° | 114.8° |
| O4 | C4 | C5 | 124.7° | 121.6° |
| C4 | C5 | C5M | 118.6° | 118.0° |
| C5 | C5M | H71 | 107.2° | 109.7° |
| C5 | C5M | H72 | 123.5° | 109.8° |
| C5 | C5M | H73 | 107.2° | 109.7° |
| H71 | C5M | H72 | 107.2° | 109.4° |
| H71 | C5M | H73 | 102.5° | 109.4° |
| H72 | C5M | H73 | 107.3° | 108.9° |
| O2' | C2' | C3' | 108.9° | 112.3° |
| O2' | C2' | H2' | 108.9° | 108.6° |
| C2' | O2' | CB' | 114.8° | 111.9° |
| C3' | C2' | H2' | 114.5° | 110.1° |
| C2' | C3' | O3' | 112.8° | 110.3° |
| C2' | C3' | H3' | 113.9° | 114.0° |
| O2' | CB' | CC' | 111.3° | 108.7° |
| O2' | CB' | HB'1 | 111.5° | 108.6° |
| O2' | CB' | HB'2 | 111.5° | 108.6° |
| CC' | CB' | HB'1 | 111.5° | 112.2° |
| CC' | CB' | HB'2 | 111.5° | 109.8° |
| CB' | CC' | CD' | 122.5° | 123.9° |
| CB' | CC' | HC' | 124.7° | 117.4° |
| HB'1 | CB' | HB'2 | 98.9° | 108.8° |
| CD' | CC' | HC' | 112.9° | 118.6° |
| CC' | CD' | HD'1 | 122.5° | 121.5° |
| CC' | CD' | HD'2 | 112.9° | 120.4° |
| HD'1 | CD' | HD'2 | 124.6° | 118.0° |
| O3' | C3' | H3' | 102.4° | 107.8° |
| C3' | O3' | HO3' | 113.1° | 106.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 126.8° | 126.6° |
| OP1 | P | OP2 | OP3 | 150.0° | 126.2° |
| OP1 | P | O5' | OP3 | 121.8° | 125.8° |
| OP1 | P | OP2 | HOP2 | 180.0° | 48.7° |
| OP1 | P | O5' | C5' | 45.2° | 179.9° |
| OP1 | P | OP3 | HOP3 | 180.0° | 48.0° |
| OP2 | P | O5' | OP3 | 105.2° | 107.4° |
| OP2 | P | O5' | C5' | 178.2° | 53.2° |
| OP2 | P | OP3 | HOP3 | 31.5° | 78.5° |
| O5' | P | OP2 | HOP2 | 53.2° | 175.4° |
| P | O5' | C5' | C4' | 174.7° | 180.0° |
| P | O5' | C5' | H5' | 49.4° | 59.9° |
| P | O5' | C5' | H5'' | 60.0° | 59.9° |
| O5' | P | OP3 | HOP3 | 76.6° | 173.8° |
| OP3 | P | OP2 | HOP2 | 30.0° | 77.5° |
| OP3 | P | O5' | C5' | 76.6° | 54.2° |
| O5' | C5' | C4' | H5' | 125.3° | 119.5° |
| O5' | C5' | C4' | H5'' | 125.3° | 119.6° |
| O5' | C5' | H5' | H5'' | 117.9° | 119.6° |
| O5' | C5' | C4' | O4' | 69.7° | 62.4° |
| O5' | C5' | C4' | C3' | 46.7° | 179.5° |
| O5' | C5' | C4' | H4' | 166.6° | 54.6° |
| C4' | C5' | H5' | H5'' | 117.9° | 121.2° |
| C5' | C4' | O4' | C3' | 123.5° | 121.7° |
| C5' | C4' | O4' | H4' | 116.7° | 118.1° |
| C5' | C4' | C3' | H4' | 116.8° | 124.4° |
| C5' | C4' | O4' | C1' | 145.6° | 109.0° |
| C5' | C4' | C3' | C2' | 158.7° | 86.9° |
| C5' | C4' | C3' | O3' | 80.2° | 156.8° |
| C5' | C4' | C3' | H3' | 36.0° | 36.8° |
| H5' | C5' | C4' | O4' | 55.6° | 57.1° |
| H5' | C5' | C4' | C3' | 172.0° | 60.0° |
| H5' | C5' | C4' | H4' | 68.2° | 174.1° |
| H5'' | C5' | C4' | O4' | 165.1° | 178.0° |
| H5'' | C5' | C4' | C3' | 78.6° | 60.9° |
| H5'' | C5' | C4' | H4' | 41.3° | 65.0° |
| O4' | C4' | C3' | H4' | 123.8° | 117.2° |
| C4' | O4' | C1' | N1 | 116.5° | 132.9° |
| C4' | O4' | C1' | C2' | 3.9° | 11.3° |
| C4' | O4' | C1' | H1' | 124.3° | 110.3° |
| O4' | C4' | C3' | C2' | 39.2° | 31.5° |
| O4' | C4' | C3' | O3' | 160.4° | 84.7° |
| O4' | C4' | C3' | H3' | 83.4° | 155.2° |
| C3' | C4' | O4' | C1' | 22.1° | 12.8° |
| C4' | C3' | C2' | C1' | 40.3° | 37.1° |
| C4' | C3' | C2' | O2' | 72.2° | 158.0° |
| C4' | C3' | C2' | O3' | 121.4° | 114.5° |
| C4' | C3' | C2' | H3' | 122.4° | 124.0° |
| C4' | C3' | C2' | H2' | 165.7° | 80.9° |
| C4' | C3' | O3' | H3' | 122.7° | 124.2° |
| C4' | C3' | O3' | HO3' | 180.0° | 165.3° |
| H4' | C4' | O4' | C1' | 97.7° | 133.0° |
| H4' | C4' | C3' | C2' | 84.5° | 148.7° |
| H4' | C4' | C3' | O3' | 36.6° | 32.5° |
| H4' | C4' | C3' | H3' | 152.8° | 87.6° |
| O4' | C1' | N1 | C2' | 117.8° | 117.9° |
| O4' | C1' | N1 | H1' | 121.7° | 117.7° |
| O4' | C1' | C2' | H1' | 121.7° | 119.3° |
| O4' | C1' | N1 | C6 | 25.9° | 32.3° |
| O4' | C1' | N1 | C2 | 155.0° | 147.8° |
| O4' | C1' | C2' | O2' | 85.7° | 151.3° |
| O4' | C1' | C2' | C3' | 28.2° | 30.7° |
| O4' | C1' | C2' | H2' | 152.5° | 86.6° |
| N1 | C1' | C2' | H1' | 119.2° | 121.4° |
| C1' | N1 | C6 | C2 | 179.1° | 179.9° |
| C1' | N1 | C6 | C5 | 178.9° | 180.0° |
| C1' | N1 | C6 | H6 | 1.0° | 0.0° |
| C1' | N1 | C2 | O2 | 3.1° | 0.1° |
| C1' | N1 | C2 | N3 | 178.9° | 180.0° |
| N1 | C1' | C2' | O2' | 155.2° | 89.4° |
| N1 | C1' | C2' | C3' | 90.9° | 150.0° |
| N1 | C1' | C2' | H2' | 33.3° | 32.7° |
| C2' | C1' | N1 | C6 | 91.9° | 85.6° |
| C2' | C1' | N1 | C2 | 87.3° | 94.3° |
| C1' | C2' | O2' | C3' | 108.2° | 114.5° |
| C1' | C2' | O2' | H2' | 126.3° | 123.5° |
| C1' | C2' | C3' | H2' | 125.4° | 118.0° |
| C1' | C2' | O2' | CB' | 76.1° | 174.5° |
| C1' | C2' | C3' | O3' | 161.6° | 77.4° |
| C1' | C2' | C3' | H3' | 82.1° | 161.1° |
| H1' | C1' | N1 | C6 | 147.6° | 150.0° |
| H1' | C1' | N1 | C2 | 33.2° | 30.1° |
| H1' | C1' | C2' | O2' | 36.1° | 32.1° |
| H1' | C1' | C2' | C3' | 149.9° | 88.5° |
| H1' | C1' | C2' | H2' | 85.8° | 154.2° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | N1 | C2 | O2 | 176.0° | 180.0° |
| C6 | N1 | C2 | N3 | 2.0° | 0.0° |
| N1 | C6 | C5 | C4 | 0.9° | 0.0° |
| N1 | C6 | C5 | C5M | 178.5° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | H6 | 179.9° | 180.0° |
| N1 | C2 | O2 | N3 | 177.8° | 179.9° |
| N1 | C2 | N3 | C4 | 3.6° | 0.0° |
| N1 | C2 | N3 | HN3 | 176.4° | 179.9° |
| C6 | C5 | C4 | N3 | 0.5° | 0.0° |
| C6 | C5 | C4 | O4 | 178.4° | 180.0° |
| C6 | C5 | C4 | C5M | 179.4° | 180.0° |
| C6 | C5 | C5M | H71 | 54.7° | 64.2° |
| C6 | C5 | C5M | H72 | 180.0° | 56.0° |
| C6 | C5 | C5M | H73 | 54.7° | 175.6° |
| H6 | C6 | C5 | C4 | 179.1° | 180.0° |
| H6 | C6 | C5 | C5M | 1.5° | 0.0° |
| O2 | C2 | N3 | C4 | 174.3° | 179.9° |
| O2 | C2 | N3 | HN3 | 5.6° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 176.0° | 179.9° |
| C2 | N3 | C4 | C5 | 2.9° | 0.1° |
| N3 | C4 | O4 | C5 | 178.8° | 180.0° |
| N3 | C4 | C5 | C5M | 179.9° | 180.0° |
| HN3 | N3 | C4 | O4 | 4.0° | 0.0° |
| HN3 | N3 | C4 | C5 | 177.1° | 180.0° |
| O4 | C4 | C5 | C5M | 1.1° | 0.0° |
| C4 | C5 | C5M | H71 | 124.7° | 115.8° |
| C4 | C5 | C5M | H72 | 0.6° | 124.0° |
| C4 | C5 | C5M | H73 | 125.8° | 4.4° |
| C5 | C5M | H71 | H72 | 134.5° | 120.5° |
| C5 | C5M | H71 | H73 | 112.7° | 120.4° |
| C5 | C5M | H72 | H73 | 125.3° | 120.1° |
| H71 | C5M | H72 | H73 | 109.5° | 119.5° |
| O2' | C2' | C3' | H2' | 122.1° | 121.1° |
| C2' | O2' | CB' | CC' | 177.8° | 180.0° |
| C2' | O2' | CB' | HB'1 | 56.9° | 57.7° |
| C2' | O2' | CB' | HB'2 | 52.6° | 60.5° |
| O2' | C2' | C3' | O3' | 49.2° | 43.5° |
| O2' | C2' | C3' | H3' | 165.4° | 78.0° |
| C3' | C2' | O2' | CB' | 175.7° | 60.0° |
| C2' | C3' | O3' | H3' | 122.9° | 125.1° |
| C2' | C3' | O3' | HO3' | 65.5° | 84.0° |
| H2' | C2' | O2' | CB' | 50.2° | 62.0° |
| H2' | C2' | C3' | O3' | 72.9° | 164.6° |
| H2' | C2' | C3' | H3' | 43.3° | 43.1° |
| O2' | CB' | CC' | HB'1 | 125.2° | 120.1° |
| O2' | CB' | CC' | HB'2 | 125.3° | 118.7° |
| O2' | CB' | HB'1 | HB'2 | 117.5° | 118.0° |
| O2' | CB' | CC' | CD' | 108.3° | 120.2° |
| O2' | CB' | CC' | HC' | 71.7° | 60.4° |
| CC' | CB' | HB'1 | HB'2 | 117.4° | 121.8° |
| CB' | CC' | CD' | HC' | 180.0° | 179.4° |
| CB' | CC' | CD' | HD'1 | 180.0° | 180.0° |
| CB' | CC' | CD' | HD'2 | 0.0° | 0.0° |
| HB'1 | CB' | CC' | CD' | 126.5° | 0.0° |
| HB'1 | CB' | CC' | HC' | 53.5° | 179.4° |
| HB'2 | CB' | CC' | CD' | 17.0° | 121.2° |
| HB'2 | CB' | CC' | HC' | 163.0° | 58.2° |
| CC' | CD' | HD'1 | HD'2 | 180.0° | 180.0° |
| HC' | CC' | CD' | HD'1 | 0.0° | 0.6° |
| HC' | CC' | CD' | HD'2 | 180.0° | 179.4° |
| H3' | C3' | O3' | HO3' | 57.3° | 41.1° |
