TA3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | doub | 0.00Å | 1.61Å | |
| P | OP2 | sing | 0.00Å | 1.48Å | |
| P | O5' | sing | 0.00Å | 1.61Å | |
| P | OP1 | sing | 0.00Å | 1.48Å | |
| OP1 | HO1P | sing | 0.00Å | 0.95Å | |
| OP2 | HO2P | sing | 0.00Å | 0.95Å | |
| O5' | C5' | sing | 0.00Å | 1.45Å | |
| C5' | C4' | sing | 0.00Å | 1.55Å | |
| C5' | H5' | sing | 0.00Å | 1.10Å | |
| C5' | H5'' | sing | 0.00Å | 1.10Å | |
| C4' | O4' | sing | 0.00Å | 1.45Å | |
| C4' | C3' | sing | 0.00Å | 1.51Å | |
| C4' | H4' | sing | 0.00Å | 1.10Å | |
| O4' | C1' | sing | 0.00Å | 1.43Å | |
| C3' | C2' | sing | 0.00Å | 1.50Å | |
| C3' | O3' | sing | 0.00Å | 1.44Å | |
| C3' | H3' | sing | 0.00Å | 1.10Å | |
| O3' | HO3' | sing | 0.00Å | 0.95Å | |
| C2' | C1' | sing | 0.00Å | 1.52Å | |
| C2' | H2' | sing | 0.00Å | 1.10Å | |
| C2' | H2'' | sing | 0.00Å | 1.10Å | |
| C1' | N1 | sing | 0.00Å | 1.50Å | |
| C1' | H1' | sing | 0.00Å | 1.10Å | |
| N1 | C2 | sing | 0.00Å | 1.42Å | |
| N1 | C6 | sing | 0.00Å | 1.53Å | |
| C2 | O2 | doub | 0.00Å | 1.24Å | |
| C2 | N3 | sing | 0.00Å | 1.50Å | |
| N3 | C4 | sing | 0.00Å | 1.50Å | |
| N3 | C6 | sing | 0.00Å | 1.56Å | |
| C4 | C5 | sing | 0.00Å | 1.37Å | |
| C4 | H41 | sing | 0.00Å | 1.10Å | |
| C4 | H42 | sing | 0.00Å | 1.10Å | |
| C5 | C5M | sing | 0.00Å | 1.46Å | |
| C5 | C6 | sing | 0.00Å | 1.55Å | |
| C5 | H5 | sing | 0.00Å | 1.10Å | |
| C5M | H71 | sing | 0.00Å | 1.10Å | |
| C5M | H72 | sing | 0.00Å | 1.10Å | |
| C5M | H73 | sing | 0.00Å | 1.10Å | |
| C6 | H6 | sing | 0.00Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP3 | P | OP2 | 108.3° | 90.0° |
| OP3 | P | O5' | 102.8° | 90.0° |
| OP3 | P | OP1 | 109.3° | 90.0° |
| OP2 | P | O5' | 108.7° | 90.0° |
| OP2 | P | OP1 | 117.9° | 90.0° |
| P | OP2 | HO2P | 109.5° | 90.0° |
| O5' | P | OP1 | 108.9° | 90.0° |
| P | O5' | C5' | 130.9° | 90.0° |
| P | OP1 | HO1P | 109.5° | 90.0° |
| O5' | C5' | C4' | 113.7° | 90.0° |
| O5' | C5' | H5' | 108.1° | 90.0° |
| O5' | C5' | H5'' | 107.1° | 90.0° |
| C4' | C5' | H5' | 108.1° | 90.0° |
| C4' | C5' | H5'' | 107.2° | 90.0° |
| C5' | C4' | O4' | 110.8° | 90.0° |
| C5' | C4' | C3' | 114.2° | 90.0° |
| C5' | C4' | H4' | 104.1° | 90.0° |
| H5' | C5' | H5'' | 112.8° | 90.0° |
| O4' | C4' | C3' | 105.6° | 90.0° |
| O4' | C4' | H4' | 112.9° | 90.0° |
| C4' | O4' | C1' | 108.4° | 90.0° |
| C3' | C4' | H4' | 109.4° | 90.0° |
| C4' | C3' | C2' | 102.8° | 90.0° |
| C4' | C3' | O3' | 111.2° | 90.0° |
| C4' | C3' | H3' | 113.4° | 90.0° |
| O4' | C1' | C2' | 104.8° | 90.0° |
| O4' | C1' | N1 | 111.9° | 90.0° |
| O4' | C1' | H1' | 111.5° | 90.0° |
| C2' | C3' | O3' | 111.4° | 90.0° |
| C2' | C3' | H3' | 113.1° | 90.0° |
| C3' | C2' | C1' | 100.0° | 90.0° |
| C3' | C2' | H2' | 112.7° | 90.0° |
| C3' | C2' | H2'' | 114.7° | 90.0° |
| O3' | C3' | H3' | 105.1° | 90.0° |
| C3' | O3' | HO3' | 109.5° | 90.0° |
| C1' | C2' | H2' | 112.8° | 90.0° |
| C1' | C2' | H2'' | 114.7° | 90.0° |
| C2' | C1' | N1 | 110.9° | 90.0° |
| C2' | C1' | H1' | 112.5° | 90.0° |
| H2' | C2' | H2'' | 102.5° | 90.0° |
| N1 | C1' | H1' | 105.5° | 90.0° |
| C1' | N1 | C2 | 118.7° | 90.0° |
| C1' | N1 | C6 | 116.1° | 90.0° |
| C2 | N1 | C6 | 89.9° | 90.0° |
| N1 | C2 | O2 | 129.7° | 90.0° |
| N1 | C2 | N3 | 90.4° | 90.0° |
| N1 | C6 | N3 | 84.1° | 90.0° |
| N1 | C6 | C5 | 121.5° | 90.0° |
| N1 | C6 | H6 | 111.9° | 90.0° |
| O2 | C2 | N3 | 139.6° | 90.0° |
| C2 | N3 | C4 | 125.6° | 90.0° |
| C2 | N3 | C6 | 85.9° | 90.0° |
| C4 | N3 | C6 | 84.0° | 90.0° |
| N3 | C4 | C5 | 91.0° | 90.0° |
| N3 | C4 | H41 | 116.2° | 90.0° |
| N3 | C4 | H42 | 119.6° | 90.0° |
| N3 | C6 | C5 | 82.4° | 90.0° |
| N3 | C6 | H6 | 142.5° | 90.0° |
| C5 | C4 | H41 | 116.1° | 90.0° |
| C5 | C4 | H42 | 119.6° | 90.0° |
| C4 | C5 | C5M | 135.4° | 90.0° |
| C4 | C5 | C6 | 88.6° | 90.0° |
| C4 | C5 | H5 | 121.7° | 90.0° |
| H41 | C4 | H42 | 96.2° | 90.0° |
| C5M | C5 | C6 | 129.5° | 90.0° |
| C5M | C5 | H5 | 54.2° | 90.0° |
| C5 | C5M | H71 | 109.5° | 90.0° |
| C5 | C5M | H72 | 109.5° | 90.0° |
| C5 | C5M | H73 | 109.4° | 90.0° |
| C6 | C5 | H5 | 130.8° | 90.0° |
| C5 | C6 | H6 | 113.1° | 90.0° |
| H71 | C5M | H72 | 109.5° | 90.0° |
| H71 | C5M | H73 | 109.5° | 90.0° |
| H72 | C5M | H73 | 109.5° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP2 | O5' | 110.9° | 90.0° |
| OP3 | P | OP2 | OP1 | 124.7° | 90.0° |
| OP3 | P | O5' | OP1 | 115.8° | 90.0° |
| OP3 | P | OP1 | HO1P | 161.3° | 90.0° |
| OP3 | P | OP2 | HO2P | 29.3° | 90.0° |
| OP3 | P | O5' | C5' | 69.9° | 90.0° |
| OP2 | P | O5' | OP1 | 129.6° | 90.0° |
| OP2 | P | OP1 | HO1P | 37.1° | 90.0° |
| OP2 | P | O5' | C5' | 175.5° | 90.0° |
| O5' | P | OP1 | HO1P | 87.2° | 90.0° |
| O5' | P | OP2 | HO2P | 81.6° | 90.0° |
| P | O5' | C5' | C4' | 175.9° | 90.0° |
| P | O5' | C5' | H5' | 55.9° | 90.0° |
| P | O5' | C5' | H5'' | 66.0° | 90.0° |
| OP1 | P | OP2 | HO2P | 154.0° | 90.0° |
| OP1 | P | O5' | C5' | 46.0° | 90.0° |
| O5' | C5' | C4' | H5' | 120.0° | 90.0° |
| O5' | C5' | C4' | H5'' | 118.1° | 90.0° |
| O5' | C5' | H5' | H5'' | 118.3° | 90.0° |
| O5' | C5' | C4' | O4' | 59.1° | 90.0° |
| O5' | C5' | C4' | C3' | 60.0° | 90.0° |
| O5' | C5' | C4' | H4' | 179.2° | 90.0° |
| C4' | C5' | H5' | H5'' | 118.3° | 90.0° |
| C5' | C4' | O4' | C3' | 124.1° | 90.0° |
| C5' | C4' | O4' | H4' | 116.3° | 90.0° |
| C5' | C4' | C3' | H4' | 116.2° | 90.0° |
| C5' | C4' | O4' | C1' | 121.8° | 90.0° |
| C5' | C4' | C3' | C2' | 94.2° | 90.0° |
| C5' | C4' | C3' | O3' | 146.4° | 90.0° |
| C5' | C4' | C3' | H3' | 28.3° | 90.0° |
| H5' | C5' | C4' | O4' | 60.9° | 90.0° |
| H5' | C5' | C4' | C3' | 180.0° | 90.0° |
| H5' | C5' | C4' | H4' | 60.8° | 90.0° |
| H5'' | C5' | C4' | O4' | 177.2° | 90.0° |
| H5'' | C5' | C4' | C3' | 58.1° | 90.0° |
| H5'' | C5' | C4' | H4' | 61.1° | 90.0° |
| O4' | C4' | C3' | H4' | 121.8° | 90.0° |
| O4' | C4' | C3' | C2' | 27.7° | 90.0° |
| O4' | C4' | C3' | O3' | 91.6° | 90.0° |
| O4' | C4' | C3' | H3' | 150.2° | 90.0° |
| C4' | O4' | C1' | C2' | 23.7° | 90.0° |
| C4' | O4' | C1' | N1 | 143.9° | 90.0° |
| C4' | O4' | C1' | H1' | 98.3° | 90.0° |
| C3' | C4' | O4' | C1' | 2.4° | 90.0° |
| C4' | C3' | C2' | O3' | 119.2° | 90.0° |
| C4' | C3' | C2' | H3' | 122.6° | 90.0° |
| C4' | C3' | O3' | H3' | 123.0° | 90.0° |
| C4' | C3' | O3' | HO3' | 111.1° | 90.0° |
| C4' | C3' | C2' | C1' | 40.5° | 90.0° |
| C4' | C3' | C2' | H2' | 160.5° | 90.0° |
| C4' | C3' | C2' | H2'' | 82.7° | 90.0° |
| H4' | C4' | O4' | C1' | 121.9° | 90.0° |
| H4' | C4' | C3' | C2' | 149.6° | 90.0° |
| H4' | C4' | C3' | O3' | 30.2° | 90.0° |
| H4' | C4' | C3' | H3' | 87.9° | 90.0° |
| O4' | C1' | C2' | C3' | 40.0° | 90.0° |
| O4' | C1' | C2' | N1 | 120.8° | 90.0° |
| O4' | C1' | C2' | H1' | 121.3° | 90.0° |
| O4' | C1' | C2' | H2' | 160.0° | 90.0° |
| O4' | C1' | C2' | H2'' | 83.2° | 90.0° |
| O4' | C1' | N1 | H1' | 121.4° | 90.0° |
| O4' | C1' | N1 | C2 | 57.3° | 90.0° |
| O4' | C1' | N1 | C6 | 48.2° | 90.0° |
| C2' | C3' | O3' | H3' | 122.9° | 90.0° |
| C2' | C3' | O3' | HO3' | 134.8° | 90.0° |
| C3' | C2' | C1' | H2' | 120.0° | 90.0° |
| C3' | C2' | C1' | H2'' | 123.2° | 90.0° |
| C3' | C2' | H2' | H2'' | 123.8° | 90.0° |
| C3' | C2' | C1' | N1 | 160.9° | 90.0° |
| C3' | C2' | C1' | H1' | 81.3° | 90.0° |
| O3' | C3' | C2' | C1' | 78.7° | 90.0° |
| O3' | C3' | C2' | H2' | 41.3° | 90.0° |
| O3' | C3' | C2' | H2'' | 158.1° | 90.0° |
| H3' | C3' | O3' | HO3' | 11.9° | 90.0° |
| H3' | C3' | C2' | C1' | 163.2° | 90.0° |
| H3' | C3' | C2' | H2' | 76.8° | 90.0° |
| H3' | C3' | C2' | H2'' | 40.0° | 90.0° |
| C1' | C2' | H2' | H2'' | 123.8° | 90.0° |
| C2' | C1' | N1 | H1' | 122.0° | 90.0° |
| C2' | C1' | N1 | C2 | 173.8° | 90.0° |
| C2' | C1' | N1 | C6 | 68.4° | 90.0° |
| H2' | C2' | C1' | N1 | 79.1° | 90.0° |
| H2' | C2' | C1' | H1' | 38.7° | 90.0° |
| H2'' | C2' | C1' | N1 | 37.6° | 90.0° |
| H2'' | C2' | C1' | H1' | 155.5° | 90.0° |
| C1' | N1 | C2 | C6 | 120.1° | 90.0° |
| C1' | N1 | C2 | O2 | 89.5° | 90.0° |
| C1' | N1 | C2 | N3 | 96.0° | 90.0° |
| C1' | N1 | C6 | N3 | 99.1° | 90.0° |
| C1' | N1 | C6 | C5 | 176.5° | 90.0° |
| C1' | N1 | C6 | H6 | 45.7° | 90.0° |
| H1' | C1' | N1 | C2 | 64.1° | 90.0° |
| H1' | C1' | N1 | C6 | 169.6° | 90.0° |
| N1 | C2 | O2 | N3 | 171.5° | 90.0° |
| N1 | C2 | N3 | C4 | 103.4° | 90.0° |
| C2 | N1 | C6 | N3 | 23.2° | 90.0° |
| C2 | N1 | C6 | C5 | 54.2° | 90.0° |
| C2 | N1 | C6 | H6 | 168.0° | 90.0° |
| C6 | N1 | C2 | O2 | 150.4° | 90.0° |
| N1 | C6 | N3 | C4 | 148.4° | 90.0° |
| N1 | C6 | N3 | C5 | 122.9° | 90.0° |
| N1 | C6 | N3 | H6 | 118.7° | 90.0° |
| N1 | C6 | C5 | C4 | 106.2° | 90.0° |
| N1 | C6 | C5 | C5M | 99.4° | 90.0° |
| N1 | C6 | C5 | H6 | 137.3° | 90.0° |
| N1 | C6 | C5 | H5 | 26.2° | 90.0° |
| O2 | C2 | N3 | C4 | 70.1° | 90.0° |
| O2 | C2 | N3 | C6 | 149.8° | 90.0° |
| C2 | N3 | C4 | C6 | 80.7° | 90.0° |
| C2 | N3 | C4 | C5 | 51.8° | 90.0° |
| C2 | N3 | C4 | H41 | 171.8° | 90.0° |
| C2 | N3 | C4 | H42 | 73.5° | 90.0° |
| C2 | N3 | C6 | C5 | 100.9° | 90.0° |
| C2 | N3 | C6 | H6 | 140.7° | 90.0° |
| N3 | C4 | C5 | H41 | 120.0° | 90.0° |
| N3 | C4 | C5 | H42 | 125.4° | 90.0° |
| N3 | C4 | H41 | H42 | 127.4° | 90.0° |
| N3 | C4 | C5 | C5M | 179.4° | 90.0° |
| C4 | N3 | C6 | C5 | 25.5° | 90.0° |
| N3 | C4 | C5 | H5 | 110.1° | 90.0° |
| C4 | N3 | C6 | H6 | 92.9° | 90.0° |
| C6 | N3 | C4 | H41 | 91.1° | 90.0° |
| C6 | N3 | C4 | H42 | 154.2° | 90.0° |
| N3 | C6 | C5 | C5M | 177.7° | 90.0° |
| N3 | C6 | C5 | H6 | 144.4° | 90.0° |
| N3 | C6 | C5 | H5 | 104.5° | 90.0° |
| C5 | C4 | H41 | H42 | 127.3° | 90.0° |
| C4 | C5 | C5M | C6 | 142.2° | 90.0° |
| C4 | C5 | C5M | H5 | 101.1° | 90.0° |
| C4 | C5 | C6 | H5 | 132.4° | 90.0° |
| C4 | C5 | C5M | H71 | 58.8° | 90.0° |
| C4 | C5 | C5M | H72 | 61.2° | 90.0° |
| C4 | C5 | C5M | H73 | 178.9° | 90.0° |
| C4 | C5 | C6 | H6 | 116.5° | 90.0° |
| H41 | C4 | C5 | C5M | 60.5° | 90.0° |
| H41 | C4 | C5 | C6 | 91.2° | 90.0° |
| H41 | C4 | C5 | H5 | 129.9° | 90.0° |
| H42 | C4 | C5 | C5M | 54.1° | 90.0° |
| H42 | C4 | C5 | C6 | 154.2° | 90.0° |
| H42 | C4 | C5 | H5 | 15.2° | 90.0° |
| C5M | C5 | C6 | H5 | 73.2° | 90.0° |
| C5 | C5M | H71 | H72 | 120.0° | 90.0° |
| C5 | C5M | H71 | H73 | 120.0° | 90.0° |
| C5 | C5M | H72 | H73 | 120.0° | 90.0° |
| C5M | C5 | C6 | H6 | 38.0° | 90.0° |
| C6 | C5 | C5M | H71 | 159.0° | 90.0° |
| C6 | C5 | C5M | H72 | 81.0° | 90.0° |
| C6 | C5 | C5M | H73 | 39.0° | 90.0° |
| H5 | C5 | C5M | H71 | 42.2° | 90.0° |
| H5 | C5 | C5M | H72 | 162.2° | 90.0° |
| H5 | C5 | C5M | H73 | 77.8° | 90.0° |
| H5 | C5 | C6 | H6 | 111.1° | 90.0° |
| H71 | C5M | H72 | H73 | 120.0° | 90.0° |
