2BT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP3 | sing | 1.62Å | 1.45Å | |
| P | OP2 | sing | 1.62Å | 1.48Å | |
| P | O5' | sing | 1.62Å | 1.60Å | |
| P | OP1 | doub | 1.50Å | 31.61Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.43Å | |
| C5' | C4' | sing | 1.52Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.11Å | |
| C5' | H5'' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C3' | sing | 1.52Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.40Å | |
| C1' | N1 | sing | 1.43Å | 1.48Å | |
| C1' | C2' | sing | 1.52Å | 1.52Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N1 | C2 | sing | 1.41Å | 1.37Å | |
| N1 | C6 | sing | 1.39Å | 1.37Å | |
| C2 | O2 | doub | 1.23Å | 1.21Å | |
| C2 | N3 | sing | 1.40Å | 1.37Å | |
| N3 | C4 | sing | 1.39Å | 1.37Å | |
| N3 | HN3 | sing | 1.02Å | 1.02Å | |
| C4 | O4 | doub | 1.23Å | 1.22Å | |
| C4 | C5 | sing | 1.49Å | 1.41Å | |
| C5 | C5M | sing | 1.50Å | 1.48Å | |
| C5 | C6 | doub | 1.34Å | 1.33Å | |
| C5M | H71 | sing | 1.09Å | 1.11Å | |
| C5M | H72 | sing | 1.09Å | 1.12Å | |
| C5M | H73 | sing | 1.09Å | 1.11Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C2' | O2' | sing | 1.41Å | 1.43Å | |
| C2' | C3' | sing | 1.51Å | 1.53Å | |
| C2' | H2' | sing | 1.10Å | 1.11Å | |
| O2' | CA' | sing | 1.42Å | 1.42Å | |
| CA' | CB' | sing | 1.52Å | 1.51Å | |
| CA' | HA'1 | sing | 1.10Å | 1.12Å | |
| CA' | HA'2 | sing | 1.09Å | 1.12Å | |
| CB' | CC' | sing | 1.53Å | 1.53Å | |
| CB' | HB'1 | sing | 1.10Å | 1.11Å | |
| CB' | HB'2 | sing | 1.10Å | 1.11Å | |
| CC' | CD' | sing | 1.52Å | 41.39Å | |
| CC' | HC'1 | sing | 1.10Å | 1.11Å | |
| CC' | HC'2 | sing | 1.10Å | 1.12Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| CD' | HD'1 | sing | 1.09Å | 1.11Å | |
| CD' | HD'2 | sing | 1.09Å | 1.11Å | |
| CD' | HD'3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP3 | P | OP2 | 119.7° | 103.3° |
| OP3 | P | O5' | 107.4° | 103.8° |
| OP3 | P | OP1 | 68.3° | 115.3° |
| P | OP3 | HOP3 | 119.7° | 119.0° |
| OP2 | P | O5' | 105.8° | 102.9° |
| OP2 | P | OP1 | 55.1° | 114.9° |
| P | OP2 | HOP2 | 119.7° | 119.0° |
| O5' | P | OP1 | 143.2° | 115.0° |
| P | O5' | C5' | 121.7° | 118.5° |
| O5' | C5' | C4' | 113.4° | 108.6° |
| O5' | C5' | H5' | 110.7° | 109.2° |
| O5' | C5' | H5'' | 110.7° | 109.3° |
| C4' | C5' | H5' | 110.8° | 110.1° |
| C4' | C5' | H5'' | 110.8° | 110.1° |
| C5' | C4' | O4' | 107.5° | 108.2° |
| C5' | C4' | C3' | 119.3° | 113.3° |
| C5' | C4' | H4' | 102.1° | 109.3° |
| H5' | C5' | H5'' | 99.5° | 109.6° |
| O4' | C4' | C3' | 102.2° | 105.9° |
| O4' | C4' | H4' | 119.3° | 107.7° |
| C4' | O4' | C1' | 108.6° | 109.2° |
| C3' | C4' | H4' | 107.4° | 112.2° |
| C4' | C3' | C2' | 99.1° | 102.1° |
| C4' | C3' | O3' | 111.3° | 107.9° |
| C4' | C3' | H3' | 116.7° | 114.5° |
| O4' | C1' | N1 | 108.0° | 109.0° |
| O4' | C1' | C2' | 106.9° | 106.5° |
| O4' | C1' | H1' | 114.3° | 108.9° |
| N1 | C1' | C2' | 115.3° | 112.5° |
| N1 | C1' | H1' | 105.7° | 107.3° |
| C1' | N1 | C2 | 118.6° | 121.3° |
| C1' | N1 | C6 | 120.3° | 118.5° |
| C2' | C1' | H1' | 106.9° | 112.6° |
| C1' | C2' | O2' | 112.6° | 112.6° |
| C1' | C2' | C3' | 96.7° | 102.0° |
| C1' | C2' | H2' | 117.5° | 111.1° |
| C2 | N1 | C6 | 121.1° | 120.2° |
| N1 | C2 | O2 | 123.3° | 123.8° |
| N1 | C2 | N3 | 115.1° | 115.1° |
| N1 | C6 | C5 | 122.5° | 124.5° |
| N1 | C6 | H6 | 120.2° | 114.7° |
| O2 | C2 | N3 | 121.6° | 121.1° |
| C2 | N3 | C4 | 126.3° | 127.0° |
| C2 | N3 | HN3 | 116.7° | 116.4° |
| C4 | N3 | HN3 | 117.0° | 116.6° |
| N3 | C4 | O4 | 121.0° | 123.6° |
| N3 | C4 | C5 | 115.5° | 114.8° |
| O4 | C4 | C5 | 123.3° | 121.6° |
| C4 | C5 | C5M | 116.3° | 118.0° |
| C4 | C5 | C6 | 119.4° | 118.4° |
| C5M | C5 | C6 | 121.4° | 123.6° |
| C5 | C5M | H71 | 116.3° | 109.7° |
| C5 | C5M | H72 | 109.7° | 109.8° |
| C5 | C5M | H73 | 109.7° | 109.7° |
| C5 | C6 | H6 | 117.3° | 120.7° |
| H71 | C5M | H72 | 109.7° | 109.4° |
| H71 | C5M | H73 | 109.8° | 109.4° |
| H72 | C5M | H73 | 100.4° | 108.9° |
| O2' | C2' | C3' | 114.6° | 112.3° |
| O2' | C2' | H2' | 100.7° | 108.6° |
| C2' | O2' | CA' | 116.1° | 111.9° |
| C3' | C2' | H2' | 115.6° | 110.1° |
| C2' | C3' | O3' | 114.3° | 110.3° |
| C2' | C3' | H3' | 113.8° | 114.0° |
| O2' | CA' | CB' | 107.6° | 108.8° |
| O2' | CA' | HA'1 | 112.9° | 108.5° |
| O2' | CA' | HA'2 | 112.9° | 108.5° |
| CB' | CA' | HA'1 | 112.9° | 111.0° |
| CB' | CA' | HA'2 | 112.9° | 111.0° |
| CA' | CB' | CC' | 110.4° | 111.6° |
| CA' | CB' | HB'1 | 111.8° | 109.3° |
| CA' | CB' | HB'2 | 111.8° | 109.4° |
| HA'1 | CA' | HA'2 | 97.5° | 109.0° |
| CC' | CB' | HB'1 | 111.9° | 110.3° |
| CC' | CB' | HB'2 | 111.9° | 110.2° |
| CB' | CC' | CD' | 35.1° | 111.5° |
| CB' | CC' | HC'1 | 151.3° | 109.8° |
| CB' | CC' | HC'2 | 151.2° | 109.9° |
| HB'1 | CB' | HB'2 | 98.6° | 105.8° |
| CD' | CC' | HC'1 | 151.3° | 109.2° |
| CD' | CC' | HC'2 | 151.2° | 109.1° |
| CC' | CD' | HD'1 | 35.1° | 111.0° |
| CC' | CD' | HD'2 | 151.3° | 111.1° |
| CC' | CD' | HD'3 | 151.3° | 110.3° |
| HC'1 | CC' | HC'2 | 46.3° | 107.2° |
| O3' | C3' | H3' | 102.2° | 107.8° |
| C3' | O3' | HO3' | 111.2° | 106.4° |
| HD'1 | CD' | HD'2 | 151.3° | 108.3° |
| HD'1 | CD' | HD'3 | 151.3° | 108.1° |
| HD'2 | CD' | HD'3 | 46.2° | 108.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP2 | O5' | 121.3° | 107.7° |
| OP3 | P | OP2 | OP1 | 23.6° | 126.5° |
| OP3 | P | O5' | OP1 | 76.9° | 126.9° |
| OP3 | P | OP2 | HOP2 | 180.0° | 78.5° |
| OP3 | P | O5' | C5' | 61.3° | 53.2° |
| OP2 | P | O5' | OP1 | 52.0° | 125.8° |
| OP2 | P | OP3 | HOP3 | 180.0° | 77.5° |
| OP2 | P | O5' | C5' | 169.8° | 54.2° |
| O5' | P | OP3 | HOP3 | 59.6° | 175.4° |
| O5' | P | OP2 | HOP2 | 58.7° | 173.8° |
| P | O5' | C5' | C4' | 158.9° | 180.0° |
| P | O5' | C5' | H5' | 75.8° | 59.9° |
| P | O5' | C5' | H5'' | 33.6° | 59.9° |
| OP1 | P | OP3 | HOP3 | 159.3° | 48.7° |
| OP1 | P | OP2 | HOP2 | 156.4° | 48.0° |
| OP1 | P | O5' | C5' | 138.2° | 179.9° |
| O5' | C5' | C4' | H5' | 125.2° | 119.5° |
| O5' | C5' | C4' | H5'' | 125.2° | 119.6° |
| O5' | C5' | H5' | H5'' | 116.6° | 119.6° |
| O5' | C5' | C4' | O4' | 70.8° | 62.4° |
| O5' | C5' | C4' | C3' | 44.8° | 179.5° |
| O5' | C5' | C4' | H4' | 162.9° | 54.6° |
| C4' | C5' | H5' | H5'' | 116.7° | 121.2° |
| C5' | C4' | O4' | C3' | 126.4° | 121.7° |
| C5' | C4' | O4' | H4' | 115.3° | 118.1° |
| C5' | C4' | C3' | H4' | 115.3° | 124.4° |
| C5' | C4' | O4' | C1' | 151.8° | 109.0° |
| C5' | C4' | C3' | C2' | 165.1° | 86.9° |
| C5' | C4' | C3' | O3' | 74.3° | 156.8° |
| C5' | C4' | C3' | H3' | 42.5° | 36.8° |
| H5' | C5' | C4' | O4' | 164.0° | 57.1° |
| H5' | C5' | C4' | C3' | 80.5° | 60.0° |
| H5' | C5' | C4' | H4' | 37.7° | 174.1° |
| H5'' | C5' | C4' | O4' | 54.4° | 178.0° |
| H5'' | C5' | C4' | C3' | 170.0° | 60.9° |
| H5'' | C5' | C4' | H4' | 71.8° | 65.0° |
| O4' | C4' | C3' | H4' | 126.3° | 117.2° |
| C4' | O4' | C1' | N1 | 118.1° | 132.9° |
| C4' | O4' | C1' | C2' | 6.5° | 11.3° |
| C4' | O4' | C1' | H1' | 124.6° | 110.3° |
| O4' | C4' | C3' | C2' | 46.7° | 31.5° |
| O4' | C4' | C3' | O3' | 167.3° | 84.7° |
| O4' | C4' | C3' | H3' | 75.9° | 155.2° |
| C3' | C4' | O4' | C1' | 25.3° | 12.8° |
| C4' | C3' | C2' | C1' | 48.0° | 37.1° |
| C4' | C3' | C2' | O2' | 70.7° | 158.0° |
| C4' | C3' | C2' | O3' | 118.4° | 114.5° |
| C4' | C3' | C2' | H3' | 124.7° | 124.0° |
| C4' | C3' | C2' | H2' | 172.9° | 80.9° |
| C4' | C3' | O3' | H3' | 125.4° | 124.2° |
| C4' | C3' | O3' | HO3' | 179.9° | 15.2° |
| H4' | C4' | O4' | C1' | 92.9° | 133.0° |
| H4' | C4' | C3' | C2' | 79.6° | 148.7° |
| H4' | C4' | C3' | O3' | 41.0° | 32.5° |
| H4' | C4' | C3' | H3' | 157.8° | 87.6° |
| O4' | C1' | N1 | C2' | 119.5° | 117.9° |
| O4' | C1' | N1 | H1' | 122.7° | 117.7° |
| O4' | C1' | C2' | H1' | 122.8° | 119.3° |
| O4' | C1' | N1 | C2 | 159.5° | 147.8° |
| O4' | C1' | N1 | C6 | 18.4° | 32.3° |
| O4' | C1' | C2' | O2' | 85.5° | 151.3° |
| O4' | C1' | C2' | C3' | 34.8° | 30.7° |
| O4' | C1' | C2' | H2' | 158.2° | 86.6° |
| N1 | C1' | C2' | H1' | 117.1° | 121.4° |
| C1' | N1 | C2 | C6 | 177.9° | 179.9° |
| C1' | N1 | C2 | O2 | 1.5° | 0.1° |
| C1' | N1 | C2 | N3 | 177.8° | 180.0° |
| C1' | N1 | C6 | C5 | 179.0° | 180.0° |
| C1' | N1 | C6 | H6 | 1.0° | 0.0° |
| N1 | C1' | C2' | O2' | 154.4° | 89.4° |
| N1 | C1' | C2' | C3' | 85.3° | 150.0° |
| N1 | C1' | C2' | H2' | 38.2° | 32.7° |
| C2' | C1' | N1 | C2 | 81.0° | 94.3° |
| C2' | C1' | N1 | C6 | 101.1° | 85.6° |
| C1' | C2' | O2' | C3' | 109.3° | 114.5° |
| C1' | C2' | O2' | H2' | 125.9° | 123.5° |
| C1' | C2' | C3' | H2' | 124.9° | 118.0° |
| C1' | C2' | O2' | CA' | 73.8° | 174.5° |
| C1' | C2' | C3' | O3' | 166.4° | 77.4° |
| C1' | C2' | C3' | H3' | 76.6° | 161.1° |
| H1' | C1' | N1 | C2 | 36.8° | 30.1° |
| H1' | C1' | N1 | C6 | 141.2° | 150.0° |
| H1' | C1' | C2' | O2' | 37.3° | 32.1° |
| H1' | C1' | C2' | C3' | 157.5° | 88.5° |
| H1' | C1' | C2' | H2' | 79.0° | 154.2° |
| N1 | C2 | O2 | N3 | 179.3° | 179.9° |
| N1 | C2 | N3 | C4 | 2.9° | 0.0° |
| N1 | C2 | N3 | HN3 | 177.0° | 179.9° |
| C2 | N1 | C6 | C5 | 1.1° | 0.0° |
| C2 | N1 | C6 | H6 | 178.9° | 180.0° |
| C6 | N1 | C2 | O2 | 179.4° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C6 | C5 | C4 | 0.2° | 0.0° |
| N1 | C6 | C5 | C5M | 160.0° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| O2 | C2 | N3 | C4 | 177.7° | 179.9° |
| O2 | C2 | N3 | HN3 | 2.3° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 179.4° | 179.9° |
| C2 | N3 | C4 | C5 | 4.2° | 0.1° |
| N3 | C4 | O4 | C5 | 174.8° | 180.0° |
| N3 | C4 | C5 | C5M | 158.6° | 180.0° |
| N3 | C4 | C5 | C6 | 2.6° | 0.0° |
| HN3 | N3 | C4 | O4 | 0.6° | 0.0° |
| HN3 | N3 | C4 | C5 | 175.8° | 180.0° |
| O4 | C4 | C5 | C5M | 16.5° | 0.0° |
| O4 | C4 | C5 | C6 | 177.7° | 180.0° |
| C4 | C5 | C5M | C6 | 160.8° | 180.0° |
| C4 | C5 | C5M | H71 | 179.9° | 115.8° |
| C4 | C5 | C5M | H72 | 54.8° | 124.0° |
| C4 | C5 | C5M | H73 | 54.7° | 4.4° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C5M | H71 | H72 | 125.2° | 120.5° |
| C5 | C5M | H71 | H73 | 125.3° | 120.4° |
| C5 | C5M | H72 | H73 | 115.5° | 120.1° |
| C5M | C5 | C6 | H6 | 20.0° | 0.0° |
| C6 | C5 | C5M | H71 | 19.3° | 64.2° |
| C6 | C5 | C5M | H72 | 144.5° | 56.0° |
| C6 | C5 | C5M | H73 | 106.1° | 175.6° |
| H71 | C5M | H72 | H73 | 115.6° | 119.5° |
| O2' | C2' | C3' | H2' | 116.5° | 121.1° |
| C2' | O2' | CA' | CB' | 166.1° | 179.2° |
| C2' | O2' | CA' | HA'1 | 68.6° | 60.0° |
| C2' | O2' | CA' | HA'2 | 40.8° | 58.3° |
| O2' | C2' | C3' | O3' | 47.7° | 43.5° |
| O2' | C2' | C3' | H3' | 164.7° | 78.0° |
| C3' | C2' | O2' | CA' | 176.9° | 60.0° |
| C2' | C3' | O3' | H3' | 123.5° | 125.1° |
| C2' | C3' | O3' | HO3' | 68.9° | 95.6° |
| H2' | C2' | O2' | CA' | 52.2° | 62.0° |
| H2' | C2' | C3' | O3' | 68.7° | 164.6° |
| H2' | C2' | C3' | H3' | 48.2° | 43.1° |
| O2' | CA' | CB' | HA'1 | 125.3° | 119.3° |
| O2' | CA' | CB' | HA'2 | 125.3° | 119.3° |
| O2' | CA' | HA'1 | HA'2 | 118.8° | 118.0° |
| O2' | CA' | CB' | CC' | 153.9° | 179.4° |
| O2' | CA' | CB' | HB'1 | 28.7° | 58.4° |
| O2' | CA' | CB' | HB'2 | 80.8° | 57.1° |
| CB' | CA' | HA'1 | HA'2 | 118.8° | 122.5° |
| CA' | CB' | CC' | HB'1 | 125.2° | 121.7° |
| CA' | CB' | CC' | HB'2 | 125.2° | 121.8° |
| CA' | CB' | HB'1 | HB'2 | 117.7° | 117.7° |
| CA' | CB' | CC' | CD' | 40.0° | 178.2° |
| CA' | CB' | CC' | HC'1 | 165.2° | 57.1° |
| CA' | CB' | CC' | HC'2 | 85.2° | 60.6° |
| HA'1 | CA' | CB' | CC' | 80.8° | 60.0° |
| HA'1 | CA' | CB' | HB'1 | 154.0° | 177.7° |
| HA'1 | CA' | CB' | HB'2 | 44.5° | 62.2° |
| HA'2 | CA' | CB' | CC' | 28.6° | 61.3° |
| HA'2 | CA' | CB' | HB'1 | 96.6° | 61.0° |
| HA'2 | CA' | CB' | HB'2 | 153.9° | 176.4° |
| CC' | CB' | HB'1 | HB'2 | 117.8° | 119.2° |
| CB' | CC' | CD' | HC'1 | 125.3° | 121.5° |
| CB' | CC' | CD' | HC'2 | 125.2° | 121.6° |
| CB' | CC' | HC'1 | HC'2 | 141.1° | 119.4° |
| CB' | CC' | CD' | HD'1 | 180.0° | 60.2° |
| CB' | CC' | CD' | HD'2 | 54.8° | 60.3° |
| CB' | CC' | CD' | HD'3 | 54.7° | 179.9° |
| HB'1 | CB' | CC' | CD' | 85.3° | 60.0° |
| HB'1 | CB' | CC' | HC'1 | 40.0° | 178.8° |
| HB'1 | CB' | CC' | HC'2 | 149.5° | 61.1° |
| HB'2 | CB' | CC' | CD' | 165.2° | 56.5° |
| HB'2 | CB' | CC' | HC'1 | 69.5° | 64.7° |
| HB'2 | CB' | CC' | HC'2 | 40.0° | 177.6° |
| CD' | CC' | HC'1 | HC'2 | 141.1° | 118.1° |
| CC' | CD' | HD'1 | HD'2 | 125.3° | 122.2° |
| CC' | CD' | HD'1 | HD'3 | 125.3° | 121.0° |
| CC' | CD' | HD'2 | HD'3 | 141.2° | 121.1° |
| HC'1 | CC' | CD' | HD'1 | 54.7° | 61.3° |
| HC'1 | CC' | CD' | HD'2 | 179.9° | 178.1° |
| HC'1 | CC' | CD' | HD'3 | 70.6° | 58.4° |
| HC'2 | CC' | CD' | HD'1 | 54.8° | 178.3° |
| HC'2 | CC' | CD' | HD'2 | 70.4° | 61.2° |
| HC'2 | CC' | CD' | HD'3 | 180.0° | 58.5° |
| H3' | C3' | O3' | HO3' | 54.6° | 139.4° |
| HD'1 | CD' | HD'2 | HD'3 | 141.1° | 116.8° |
