T3P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.50Å | |
| P | OP2 | sing | 1.61Å | 1.45Å | |
| P | OP3 | sing | 1.61Å | 1.48Å | |
| P | O3' | sing | 1.61Å | 1.64Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.40Å | |
| O5' | H5' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.45Å | 1.46Å | |
| C4' | C3' | sing | 1.55Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.45Å | |
| C3' | C2' | sing | 1.55Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| C2' | H2'' | sing | 1.09Å | 1.12Å | |
| C1' | N1 | sing | 1.46Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N1 | C2 | sing | 1.34Å | 1.42Å | |
| N1 | C6 | sing | 1.37Å | 1.42Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.41Å | 1.46Å | |
| C5 | C5M | sing | 1.51Å | 1.55Å | |
| C5 | C6 | doub | 1.35Å | 1.37Å | |
| C5M | H51 | sing | 1.09Å | 1.11Å | |
| C5M | H52 | sing | 1.09Å | 1.12Å | |
| C5M | H53 | sing | 1.09Å | 1.11Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 123.9° | 109.4° |
| OP1 | P | OP3 | 116.5° | 109.5° |
| OP1 | P | O3' | 77.6° | 109.5° |
| OP2 | P | OP3 | 115.5° | 109.4° |
| OP2 | P | O3' | 81.9° | 109.5° |
| P | OP2 | HOP2 | 123.9° | 106.8° |
| OP3 | P | O3' | 90.8° | 109.5° |
| P | OP3 | HOP3 | 116.4° | 106.9° |
| P | O3' | C3' | 125.5° | 106.7° |
| C5' | O5' | H5' | 107.0° | 106.8° |
| O5' | C5' | C4' | 107.0° | 109.5° |
| O5' | C5' | H5'1 | 113.2° | 109.4° |
| O5' | C5' | H5'' | 113.1° | 109.4° |
| C4' | C5' | H5'1 | 113.1° | 109.5° |
| C4' | C5' | H5'' | 113.1° | 109.5° |
| C5' | C4' | O4' | 108.7° | 110.8° |
| C5' | C4' | C3' | 111.7° | 110.6° |
| C5' | C4' | H4' | 107.8° | 110.5° |
| H5'1 | C5' | H5'' | 97.4° | 109.5° |
| O4' | C4' | C3' | 107.1° | 103.6° |
| O4' | C4' | H4' | 112.3° | 110.5° |
| C4' | O4' | C1' | 108.9° | 106.9° |
| C3' | C4' | H4' | 109.4° | 110.7° |
| C4' | C3' | O3' | 111.1° | 110.9° |
| C4' | C3' | C2' | 106.8° | 102.1° |
| C4' | C3' | H3' | 110.8° | 110.9° |
| O4' | C1' | C2' | 108.4° | 107.4° |
| O4' | C1' | N1 | 116.1° | 109.9° |
| O4' | C1' | H1' | 104.9° | 109.9° |
| O3' | C3' | C2' | 111.4° | 110.9° |
| O3' | C3' | H3' | 106.2° | 110.9° |
| C2' | C3' | H3' | 110.5° | 111.0° |
| C3' | C2' | C1' | 103.0° | 104.2° |
| C3' | C2' | H2' | 114.7° | 110.6° |
| C3' | C2' | H2'' | 114.7° | 110.4° |
| C1' | C2' | H2' | 114.7° | 110.5° |
| C1' | C2' | H2'' | 114.7° | 110.5° |
| C2' | C1' | N1 | 107.2° | 109.9° |
| C2' | C1' | H1' | 114.2° | 109.8° |
| H2' | C2' | H2'' | 95.7° | 110.6° |
| N1 | C1' | H1' | 106.2° | 109.9° |
| C1' | N1 | C2 | 115.6° | 119.7° |
| C1' | N1 | C6 | 124.1° | 119.7° |
| C2 | N1 | C6 | 120.2° | 120.6° |
| N1 | C2 | O2 | 124.6° | 119.6° |
| N1 | C2 | N3 | 116.8° | 120.9° |
| N1 | C6 | C5 | 121.3° | 119.7° |
| N1 | C6 | H6 | 121.0° | 120.2° |
| O2 | C2 | N3 | 118.6° | 119.5° |
| C2 | N3 | C4 | 126.1° | 120.3° |
| C2 | N3 | H3 | 116.5° | 119.9° |
| C4 | N3 | H3 | 117.4° | 119.8° |
| N3 | C4 | O4 | 117.3° | 120.3° |
| N3 | C4 | C5 | 116.4° | 119.4° |
| O4 | C4 | C5 | 126.3° | 120.3° |
| C4 | C5 | C5M | 119.3° | 120.4° |
| C4 | C5 | C6 | 119.2° | 119.1° |
| C5M | C5 | C6 | 121.5° | 120.5° |
| C5 | C5M | H51 | 119.3° | 109.5° |
| C5 | C5M | H52 | 108.6° | 109.5° |
| C5 | C5M | H53 | 108.6° | 109.5° |
| C5 | C6 | H6 | 117.7° | 120.1° |
| H51 | C5M | H52 | 108.7° | 109.5° |
| H51 | C5M | H53 | 108.7° | 109.5° |
| H52 | C5M | H53 | 101.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 156.1° | 120.0° |
| OP1 | P | OP2 | O3' | 69.0° | 120.0° |
| OP1 | P | OP3 | O3' | 76.5° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
| OP1 | P | O3' | C3' | 104.8° | 60.1° |
| OP2 | P | OP3 | O3' | 81.4° | 120.0° |
| OP2 | P | OP3 | HOP3 | 22.1° | 60.1° |
| OP2 | P | O3' | C3' | 127.8° | 180.0° |
| OP3 | P | OP2 | HOP2 | 23.9° | 60.0° |
| OP3 | P | O3' | C3' | 12.2° | 60.0° |
| O3' | P | OP2 | HOP2 | 111.0° | 180.0° |
| O3' | P | OP3 | HOP3 | 103.5° | 59.9° |
| P | O3' | C3' | C4' | 150.6° | 125.9° |
| P | O3' | C3' | C2' | 90.4° | 121.5° |
| P | O3' | C3' | H3' | 30.0° | 2.3° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'' | 125.2° | 120.0° |
| O5' | C5' | H5'1 | H5'' | 119.1° | 120.0° |
| O5' | C5' | C4' | O4' | 62.1° | 65.7° |
| O5' | C5' | C4' | C3' | 180.0° | 180.0° |
| O5' | C5' | C4' | H4' | 59.8° | 57.1° |
| H5' | O5' | C5' | C4' | 180.0° | 180.0° |
| H5' | O5' | C5' | H5'1 | 54.8° | 60.0° |
| H5' | O5' | C5' | H5'' | 54.7° | 60.0° |
| C4' | C5' | H5'1 | H5'' | 119.0° | 120.0° |
| C5' | C4' | O4' | C3' | 120.8° | 118.6° |
| C5' | C4' | O4' | H4' | 119.2° | 122.8° |
| C5' | C4' | C3' | H4' | 119.2° | 122.8° |
| C5' | C4' | O4' | C1' | 122.6° | 158.6° |
| C5' | C4' | C3' | O3' | 103.1° | 86.1° |
| C5' | C4' | C3' | C2' | 135.3° | 155.7° |
| C5' | C4' | C3' | H3' | 14.8° | 37.5° |
| H5'1 | C5' | C4' | O4' | 63.2° | 174.3° |
| H5'1 | C5' | C4' | C3' | 54.7° | 60.0° |
| H5'1 | C5' | C4' | H4' | 174.9° | 62.9° |
| H5'' | C5' | C4' | O4' | 172.6° | 54.2° |
| H5'' | C5' | C4' | C3' | 54.8° | 60.0° |
| H5'' | C5' | C4' | H4' | 65.4° | 177.1° |
| O4' | C4' | C3' | H4' | 121.9° | 118.5° |
| O4' | C4' | C3' | O3' | 138.1° | 155.1° |
| O4' | C4' | C3' | C2' | 16.4° | 37.0° |
| O4' | C4' | C3' | H3' | 104.1° | 81.3° |
| C4' | O4' | C1' | C2' | 13.3° | 26.3° |
| C4' | O4' | C1' | N1 | 107.4° | 145.8° |
| C4' | O4' | C1' | H1' | 135.7° | 93.1° |
| C3' | C4' | O4' | C1' | 1.8° | 39.9° |
| C4' | C3' | O3' | C2' | 119.0° | 112.6° |
| C4' | C3' | O3' | H3' | 120.6° | 123.6° |
| C4' | C3' | C2' | H3' | 120.7° | 118.2° |
| C4' | C3' | C2' | C1' | 23.4° | 20.9° |
| C4' | C3' | C2' | H2' | 148.7° | 97.7° |
| C4' | C3' | C2' | H2'' | 101.9° | 139.6° |
| H4' | C4' | O4' | C1' | 118.3° | 78.6° |
| H4' | C4' | C3' | O3' | 16.1° | 36.7° |
| H4' | C4' | C3' | C2' | 105.5° | 81.4° |
| H4' | C4' | C3' | H3' | 134.0° | 160.3° |
| O4' | C1' | C2' | C3' | 22.8° | 1.9° |
| O4' | C1' | C2' | N1 | 126.1° | 119.5° |
| O4' | C1' | C2' | H1' | 116.5° | 119.5° |
| O4' | C1' | C2' | H2' | 148.1° | 120.7° |
| O4' | C1' | C2' | H2'' | 102.5° | 116.7° |
| O4' | C1' | N1 | H1' | 116.2° | 121.0° |
| O4' | C1' | N1 | C2 | 156.4° | 58.3° |
| O4' | C1' | N1 | C6 | 23.5° | 121.7° |
| O3' | C3' | C2' | H3' | 117.9° | 123.7° |
| O3' | C3' | C2' | C1' | 144.9° | 139.1° |
| O3' | C3' | C2' | H2' | 89.8° | 20.4° |
| O3' | C3' | C2' | H2'' | 19.6° | 102.3° |
| C3' | C2' | C1' | H2' | 125.3° | 118.7° |
| C3' | C2' | C1' | H2'' | 125.3° | 118.6° |
| C3' | C2' | H2' | H2'' | 120.5° | 122.6° |
| C3' | C2' | C1' | N1 | 103.3° | 121.4° |
| C3' | C2' | C1' | H1' | 139.3° | 117.6° |
| H3' | C3' | C2' | C1' | 97.3° | 97.2° |
| H3' | C3' | C2' | H2' | 28.0° | 144.1° |
| H3' | C3' | C2' | H2'' | 137.5° | 21.4° |
| C1' | C2' | H2' | H2'' | 120.5° | 122.6° |
| C2' | C1' | N1 | H1' | 122.5° | 121.0° |
| C2' | C1' | N1 | C2 | 82.3° | 59.7° |
| C2' | C1' | N1 | C6 | 97.8° | 120.3° |
| H2' | C2' | C1' | N1 | 22.0° | 119.8° |
| H2' | C2' | C1' | H1' | 95.4° | 1.1° |
| H2'' | C2' | C1' | N1 | 131.4° | 2.8° |
| H2'' | C2' | C1' | H1' | 14.1° | 123.8° |
| C1' | N1 | C2 | C6 | 179.9° | 180.0° |
| C1' | N1 | C2 | O2 | 0.2° | 0.0° |
| C1' | N1 | C2 | N3 | 179.8° | 180.0° |
| C1' | N1 | C6 | C5 | 179.8° | 180.0° |
| C1' | N1 | C6 | H6 | 0.1° | 0.0° |
| H1' | C1' | N1 | C2 | 40.2° | 179.3° |
| H1' | C1' | N1 | C6 | 139.7° | 0.7° |
| N1 | C2 | O2 | N3 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.2° |
| N1 | C2 | N3 | H3 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | H6 | 180.0° | 180.0° |
| C6 | N1 | C2 | O2 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.2° |
| N1 | C6 | C5 | C5M | 179.9° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| O2 | C2 | N3 | C4 | 180.0° | 179.8° |
| O2 | C2 | N3 | H3 | 0.0° | 0.0° |
| C2 | N3 | C4 | H3 | 180.0° | 179.8° |
| C2 | N3 | C4 | O4 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.4° |
| N3 | C4 | O4 | C5 | 179.9° | 179.6° |
| N3 | C4 | C5 | C5M | 180.0° | 179.8° |
| N3 | C4 | C5 | C6 | 0.2° | 0.5° |
| H3 | N3 | C4 | O4 | 0.1° | 0.2° |
| H3 | N3 | C4 | C5 | 179.9° | 179.8° |
| O4 | C4 | C5 | C5M | 0.1° | 0.2° |
| O4 | C4 | C5 | C6 | 179.9° | 179.9° |
| C4 | C5 | C5M | C6 | 179.8° | 179.7° |
| C4 | C5 | C5M | H51 | 180.0° | 0.2° |
| C4 | C5 | C5M | H52 | 54.8° | 119.8° |
| C4 | C5 | C5M | H53 | 54.7° | 120.3° |
| C4 | C5 | C6 | H6 | 179.9° | 179.8° |
| C5 | C5M | H51 | H52 | 125.2° | 120.0° |
| C5 | C5M | H51 | H53 | 125.2° | 120.0° |
| C5 | C5M | H52 | H53 | 114.3° | 120.0° |
| C5M | C5 | C6 | H6 | 0.1° | 0.0° |
| C6 | C5 | C5M | H51 | 0.2° | 180.0° |
| C6 | C5 | C5M | H52 | 125.4° | 59.9° |
| C6 | C5 | C5M | H53 | 125.1° | 60.0° |
| H51 | C5M | H52 | H53 | 114.4° | 120.0° |
