TGP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S5' | C5' | sing | 1.81Å | 1.79Å | |
| S5' | P | sing | 2.09Å | 42.20Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| C4 | N3 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | doub | 1.37Å | 1.38Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.32Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| C2 | N1 | sing | 1.41Å | 1.37Å | |
| N2 | H21 | sing | 0.99Å | 1.00Å | |
| N2 | H22 | sing | 0.99Å | 1.00Å | |
| N1 | C6 | sing | 1.40Å | 1.39Å | |
| N1 | H1 | sing | 1.02Å | 1.00Å | |
| C6 | O6 | doub | 1.22Å | 1.23Å | |
| C6 | C5 | sing | 1.44Å | 1.40Å | |
| C5 | N7 | sing | 1.36Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.32Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2' | C1' | sing | 1.52Å | 1.52Å | |
| C2' | C3' | sing | 1.51Å | 1.52Å | |
| C2' | H2' | sing | 1.10Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C5' | C4' | sing | 1.52Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.52Å | 1.53Å | |
| C4' | H4' | sing | 1.10Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C1' | H1' | sing | 1.10Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| OP3 | P | sing | 1.62Å | 0.00Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.00Å | |
| P | OP1 | doub | 1.51Å | 0.00Å | |
| P | OP2 | sing | 1.62Å | 0.00Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5' | S5' | P | 39.6° | 105.1° |
| S5' | C5' | C4' | 110.3° | 110.4° |
| S5' | C5' | H5' | 109.2° | 109.1° |
| S5' | C5' | H5'' | 109.0° | 109.0° |
| S5' | P | OP3 | 90.0° | 109.3° |
| S5' | P | OP1 | 90.0° | 111.4° |
| S5' | P | OP2 | 90.0° | 108.9° |
| C4 | N9 | C8 | 106.4° | 106.6° |
| C4 | N9 | C1' | 126.3° | 127.3° |
| N9 | C4 | N3 | 125.9° | 126.0° |
| N9 | C4 | C5 | 105.4° | 104.9° |
| C8 | N9 | C1' | 127.2° | 126.1° |
| N9 | C8 | N7 | 113.1° | 112.5° |
| N9 | C8 | H8 | 123.5° | 122.0° |
| N9 | C1' | C2' | 113.7° | 114.3° |
| N9 | C1' | O4' | 107.5° | 110.0° |
| N9 | C1' | H1' | 106.8° | 105.9° |
| N3 | C4 | C5 | 128.7° | 129.1° |
| C4 | N3 | C2 | 111.8° | 113.0° |
| C4 | C5 | C6 | 118.8° | 119.2° |
| C4 | C5 | N7 | 110.9° | 112.1° |
| N3 | C2 | N2 | 119.8° | 122.0° |
| N3 | C2 | N1 | 123.9° | 122.6° |
| N2 | C2 | N1 | 116.3° | 115.4° |
| C2 | N2 | H21 | 110.9° | 118.3° |
| C2 | N2 | H22 | 124.6° | 118.3° |
| C2 | N1 | C6 | 125.1° | 125.3° |
| C2 | N1 | H1 | 117.5° | 117.4° |
| H21 | N2 | H22 | 124.6° | 123.4° |
| C6 | N1 | H1 | 117.5° | 117.4° |
| N1 | C6 | O6 | 120.0° | 125.4° |
| N1 | C6 | C5 | 111.7° | 110.8° |
| O6 | C6 | C5 | 128.3° | 123.8° |
| C6 | C5 | N7 | 130.3° | 128.7° |
| C5 | N7 | C8 | 104.3° | 103.9° |
| N7 | C8 | H8 | 123.5° | 125.5° |
| C1' | C2' | C3' | 102.4° | 101.6° |
| C1' | C2' | H2' | 111.9° | 110.5° |
| C1' | C2' | H2'' | 113.4° | 111.7° |
| C2' | C1' | O4' | 105.8° | 106.7° |
| C2' | C1' | H1' | 108.5° | 111.7° |
| C3' | C2' | H2' | 111.9° | 110.0° |
| C3' | C2' | H2'' | 113.4° | 114.2° |
| C2' | C3' | C4' | 102.9° | 103.2° |
| C2' | C3' | O3' | 109.9° | 108.4° |
| C2' | C3' | H3' | 113.2° | 113.7° |
| H2' | C2' | H2'' | 104.2° | 108.7° |
| C4' | C5' | H5' | 109.2° | 110.0° |
| C4' | C5' | H5'' | 109.0° | 109.9° |
| C5' | C4' | O4' | 109.6° | 108.0° |
| C5' | C4' | C3' | 116.1° | 112.7° |
| C5' | C4' | H4' | 103.8° | 109.4° |
| H5' | C5' | H5'' | 110.1° | 108.4° |
| O4' | C4' | C3' | 106.2° | 106.8° |
| O4' | C4' | H4' | 114.1° | 107.7° |
| C4' | O4' | C1' | 110.3° | 108.7° |
| C3' | C4' | H4' | 107.3° | 112.0° |
| C4' | C3' | O3' | 108.8° | 109.6° |
| C4' | C3' | H3' | 114.2° | 114.0° |
| O4' | C1' | H1' | 114.6° | 108.1° |
| O3' | C3' | H3' | 107.7° | 107.8° |
| C3' | O3' | HO3' | 109.5° | 106.6° |
| P | OP3 | HOP3 | 90.0° | 118.7° |
| OP3 | P | OP1 | 90.0° | 112.7° |
| OP3 | P | OP2 | 90.0° | 101.5° |
| OP1 | P | OP2 | 90.0° | 112.7° |
| P | OP2 | HOP2 | 90.0° | 118.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S5' | C5' | C4' | H5' | 120.0° | 120.4° |
| S5' | C5' | C4' | H5'' | 119.7° | 120.3° |
| S5' | C5' | H5' | H5'' | 119.7° | 118.6° |
| S5' | C5' | C4' | O4' | 87.1° | 62.6° |
| S5' | C5' | C4' | C3' | 33.1° | 179.6° |
| S5' | C5' | C4' | H4' | 150.6° | 54.4° |
| C5' | S5' | P | OP3 | 90.0° | 174.8° |
| C5' | S5' | P | OP1 | 90.0° | 60.0° |
| C5' | S5' | P | OP2 | 90.0° | 64.8° |
| P | S5' | C5' | C4' | 23.3° | 180.0° |
| P | S5' | C5' | H5' | 143.3° | 59.1° |
| P | S5' | C5' | H5'' | 96.3° | 59.1° |
| S5' | P | OP3 | OP1 | 90.0° | 124.4° |
| S5' | P | OP3 | OP2 | 90.0° | 114.9° |
| S5' | P | OP3 | HOP3 | 90.0° | 172.3° |
| S5' | P | OP1 | OP2 | 90.0° | 122.7° |
| S5' | P | OP2 | HOP2 | 90.0° | 172.2° |
| C4 | N9 | C8 | C1' | 179.7° | 180.0° |
| N9 | C4 | N3 | C5 | 180.0° | 180.0° |
| N9 | C4 | N3 | C2 | 179.8° | 180.0° |
| N9 | C4 | C5 | C6 | 179.8° | 180.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| C4 | N9 | C8 | N7 | 0.4° | 0.0° |
| C4 | N9 | C8 | H8 | 179.7° | 180.0° |
| C4 | N9 | C1' | C2' | 92.1° | 93.4° |
| C4 | N9 | C1' | O4' | 151.1° | 146.5° |
| C4 | N9 | C1' | H1' | 27.6° | 30.0° |
| C8 | N9 | C4 | N3 | 179.7° | 180.0° |
| C8 | N9 | C4 | C5 | 0.3° | 0.0° |
| N9 | C8 | N7 | C5 | 0.3° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C8 | N9 | C1' | C2' | 87.5° | 86.6° |
| C8 | N9 | C1' | O4' | 29.2° | 33.5° |
| C8 | N9 | C1' | H1' | 152.8° | 150.0° |
| C1' | N9 | C4 | N3 | 0.6° | 0.0° |
| C1' | N9 | C4 | C5 | 179.4° | 180.0° |
| C1' | N9 | C8 | N7 | 179.3° | 180.0° |
| C1' | N9 | C8 | H8 | 0.7° | 0.0° |
| N9 | C1' | C2' | O4' | 117.8° | 121.8° |
| N9 | C1' | C2' | H1' | 118.8° | 120.3° |
| N9 | C1' | C2' | C3' | 150.8° | 154.5° |
| N9 | C1' | C2' | H2' | 89.2° | 37.8° |
| N9 | C1' | C2' | H2'' | 28.3° | 83.3° |
| N9 | C1' | O4' | C4' | 140.8° | 141.8° |
| N9 | C1' | O4' | H1' | 118.6° | 115.2° |
| C4 | N3 | C2 | N2 | 179.1° | 180.0° |
| C4 | N3 | C2 | N1 | 0.5° | 0.0° |
| N3 | C4 | C5 | C6 | 0.3° | 0.0° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| C5 | C4 | N3 | C2 | 0.2° | 0.0° |
| C4 | C5 | C6 | N1 | 0.3° | 0.1° |
| C4 | C5 | C6 | O6 | 179.0° | 180.0° |
| C4 | C5 | C6 | N7 | 179.8° | 179.9° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| N3 | C2 | N2 | N1 | 179.6° | 180.0° |
| N3 | C2 | N2 | H21 | 180.0° | 137.4° |
| N3 | C2 | N2 | H22 | 0.0° | 42.7° |
| N3 | C2 | N1 | C6 | 1.3° | 0.0° |
| N3 | C2 | N1 | H1 | 178.8° | 180.0° |
| C2 | N2 | H21 | H22 | 180.0° | 180.0° |
| N2 | C2 | N1 | C6 | 178.4° | 180.0° |
| N2 | C2 | N1 | H1 | 1.6° | 0.0° |
| N1 | C2 | N2 | H21 | 0.4° | 42.6° |
| N1 | C2 | N2 | H22 | 179.6° | 137.4° |
| C2 | N1 | C6 | H1 | 180.0° | 180.0° |
| C2 | N1 | C6 | O6 | 178.4° | 180.0° |
| C2 | N1 | C6 | C5 | 1.1° | 0.0° |
| N1 | C6 | O6 | C5 | 179.3° | 179.9° |
| N1 | C6 | C5 | N7 | 179.5° | 180.0° |
| H1 | N1 | C6 | O6 | 1.6° | 0.1° |
| H1 | N1 | C6 | C5 | 179.0° | 180.0° |
| O6 | C6 | C5 | N7 | 1.1° | 0.1° |
| C6 | C5 | N7 | C8 | 180.0° | 180.0° |
| C5 | N7 | C8 | H8 | 179.7° | 180.0° |
| C1' | C2' | C3' | H2' | 120.0° | 117.0° |
| C1' | C2' | C3' | H2'' | 122.6° | 120.4° |
| C1' | C2' | H2' | H2'' | 122.9° | 122.9° |
| C2' | C1' | O4' | C4' | 18.9° | 17.3° |
| C1' | C2' | C3' | C4' | 33.8° | 34.8° |
| C2' | C1' | O4' | H1' | 119.5° | 120.3° |
| C1' | C2' | C3' | O3' | 81.9° | 81.3° |
| C1' | C2' | C3' | H3' | 157.6° | 158.8° |
| C3' | C2' | H2' | H2'' | 122.8° | 125.7° |
| C2' | C3' | C4' | C5' | 98.4° | 92.6° |
| C2' | C3' | C4' | O4' | 23.6° | 25.9° |
| C2' | C3' | C4' | O3' | 116.5° | 115.3° |
| C2' | C3' | C4' | H3' | 123.1° | 123.7° |
| C2' | C3' | C4' | H4' | 146.0° | 143.6° |
| C3' | C2' | C1' | O4' | 33.0° | 32.7° |
| C3' | C2' | C1' | H1' | 90.4° | 85.2° |
| C2' | C3' | O3' | H3' | 123.7° | 123.5° |
| C2' | C3' | O3' | HO3' | 79.9° | 65.3° |
| H2' | C2' | C3' | C4' | 153.8° | 82.2° |
| H2' | C2' | C1' | O4' | 153.0° | 84.0° |
| H2' | C2' | C1' | H1' | 29.6° | 158.1° |
| H2' | C2' | C3' | O3' | 38.1° | 161.6° |
| H2' | C2' | C3' | H3' | 82.4° | 41.7° |
| H2'' | C2' | C3' | C4' | 88.7° | 155.2° |
| H2'' | C2' | C1' | O4' | 89.5° | 154.9° |
| H2'' | C2' | C1' | H1' | 147.1° | 37.0° |
| H2'' | C2' | C3' | O3' | 155.5° | 39.1° |
| H2'' | C2' | C3' | H3' | 35.1° | 80.8° |
| C4' | C5' | H5' | H5'' | 119.6° | 120.2° |
| C5' | C4' | O4' | C3' | 126.1° | 121.5° |
| C5' | C4' | O4' | H4' | 115.9° | 118.0° |
| C5' | C4' | C3' | H4' | 115.6° | 123.8° |
| C5' | C4' | O4' | C1' | 123.0° | 116.0° |
| C5' | C4' | C3' | O3' | 145.1° | 152.1° |
| C5' | C4' | C3' | H3' | 24.7° | 31.2° |
| H5' | C5' | C4' | O4' | 152.9° | 57.8° |
| H5' | C5' | C4' | C3' | 86.9° | 60.0° |
| H5' | C5' | C4' | H4' | 30.6° | 174.8° |
| H5'' | C5' | C4' | O4' | 32.6° | 177.0° |
| H5'' | C5' | C4' | C3' | 152.8° | 59.3° |
| H5'' | C5' | C4' | H4' | 89.7° | 66.0° |
| O4' | C4' | C3' | H4' | 122.4° | 117.7° |
| C4' | O4' | C1' | H1' | 100.6° | 103.1° |
| O4' | C4' | C3' | O3' | 92.9° | 89.4° |
| O4' | C4' | C3' | H3' | 146.7° | 149.7° |
| C3' | C4' | O4' | C1' | 3.1° | 5.5° |
| C4' | C3' | O3' | H3' | 124.4° | 124.6° |
| C4' | C3' | O3' | HO3' | 168.2° | 46.6° |
| H4' | C4' | O4' | C1' | 121.1° | 126.0° |
| H4' | C4' | C3' | O3' | 29.5° | 28.3° |
| H4' | C4' | C3' | H3' | 90.9° | 92.6° |
| H3' | C3' | O3' | HO3' | 43.9° | 171.2° |
| OP3 | P | OP1 | OP2 | 90.0° | 114.1° |
| OP3 | P | OP2 | HOP2 | 90.0° | 72.6° |
| HOP3 | OP3 | P | OP1 | 90.0° | 48.0° |
| HOP3 | OP3 | P | OP2 | 90.0° | 72.8° |
| OP1 | P | OP2 | HOP2 | 90.0° | 48.2° |
