TC1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.50Å | 1.48Å | |
| P | OP2 | sing | 1.62Å | 1.48Å | |
| P | O5' | sing | 1.62Å | 1.60Å | |
| P | OP3 | sing | 1.62Å | 7.72Å | |
| OP2 | HP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.42Å | |
| C5' | C4' | sing | 1.52Å | 1.54Å | |
| C5' | H5' | sing | 1.09Å | 1.09Å | |
| C5' | H5'' | sing | 1.09Å | 1.09Å | |
| C4' | C3' | sing | 1.52Å | 1.50Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| C3' | C2' | sing | 1.51Å | 1.50Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| C2' | C1' | sing | 1.52Å | 1.53Å | |
| C2' | H2' | sing | 1.10Å | 1.09Å | |
| C2' | H2'' | sing | 1.09Å | 1.09Å | |
| C1' | O4' | sing | 1.43Å | 1.41Å | |
| C1' | N1 | sing | 1.43Å | 1.47Å | |
| C1' | H1' | sing | 1.10Å | 1.09Å | |
| N1 | C2 | sing | 1.40Å | 1.44Å | |
| N1 | C14 | sing | 1.38Å | 1.36Å | |
| C2 | O2 | doub | 1.23Å | 1.24Å | |
| C2 | N3 | sing | 1.38Å | 1.40Å | |
| N3 | C4 | doub | 1.31Å | 1.34Å | |
| C4 | C13 | sing | 1.49Å | 1.47Å | |
| C4 | N5 | sing | 1.38Å | 1.39Å | |
| C6 | N5 | sing | 1.40Å | 1.38Å | |
| C6 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.34Å | 1.38Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C13 | S12 | sing | 1.71Å | 1.69Å | |
| N5 | H5 | sing | 1.02Å | 1.00Å | |
| C11 | S12 | sing | 1.78Å | 1.76Å | |
| C11 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.07Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.07Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.09Å | 1.07Å | |
| C10 | H10 | sing | 1.09Å | 1.07Å | |
| 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 | 117.6° | 115.3° |
| OP1 | P | O5' | 108.1° | 115.0° |
| OP1 | P | OP3 | 147.4° | 115.0° |
| OP2 | P | O5' | 108.0° | 103.7° |
| OP2 | P | OP3 | 63.5° | 103.3° |
| P | OP2 | HP2 | 117.6° | 118.9° |
| O5' | P | OP3 | 48.8° | 102.9° |
| P | O5' | C5' | 119.9° | 118.5° |
| P | OP3 | HOP3 | 147.4° | 118.9° |
| O5' | C5' | C4' | 111.0° | 108.9° |
| O5' | C5' | H5' | 111.3° | 109.0° |
| O5' | C5' | H5'' | 111.0° | 108.9° |
| C4' | C5' | H5' | 108.6° | 110.3° |
| C4' | C5' | H5'' | 107.1° | 110.3° |
| C5' | C4' | C3' | 114.9° | 112.9° |
| C5' | C4' | O4' | 116.5° | 107.9° |
| C5' | C4' | H4' | 106.3° | 109.5° |
| H5' | C5' | H5'' | 107.7° | 109.3° |
| C3' | C4' | O4' | 103.7° | 106.2° |
| C3' | C4' | H4' | 108.0° | 112.2° |
| C4' | C3' | C2' | 104.5° | 103.1° |
| C4' | C3' | O3' | 109.9° | 109.9° |
| C4' | C3' | H3' | 111.7° | 113.5° |
| O4' | C4' | H4' | 107.0° | 107.9° |
| C4' | O4' | C1' | 112.3° | 109.3° |
| C2' | C3' | O3' | 112.2° | 109.7° |
| C2' | C3' | H3' | 112.6° | 113.2° |
| C3' | C2' | C1' | 100.8° | 102.5° |
| C3' | C2' | H2' | 108.8° | 109.7° |
| C3' | C2' | H2'' | 108.8° | 114.1° |
| O3' | C3' | H3' | 106.1° | 107.4° |
| C3' | O3' | HO3' | 110.0° | 107.3° |
| C1' | C2' | H2' | 112.8° | 110.6° |
| C1' | C2' | H2'' | 114.8° | 111.7° |
| C2' | C1' | O4' | 102.5° | 107.4° |
| C2' | C1' | N1 | 113.1° | 112.8° |
| C2' | C1' | H1' | 109.4° | 111.5° |
| H2' | C2' | H2'' | 110.2° | 108.3° |
| O4' | C1' | N1 | 111.2° | 109.3° |
| O4' | C1' | H1' | 110.4° | 108.0° |
| N1 | C1' | H1' | 110.0° | 107.8° |
| C1' | N1 | C2 | 117.0° | 119.6° |
| C1' | N1 | C14 | 122.9° | 119.5° |
| C2 | N1 | C14 | 120.0° | 120.9° |
| N1 | C2 | O2 | 116.5° | 121.9° |
| N1 | C2 | N3 | 119.5° | 117.9° |
| N1 | C14 | C13 | 121.6° | 122.3° |
| N1 | C14 | H14 | 117.2° | 115.6° |
| O2 | C2 | N3 | 123.9° | 120.2° |
| C2 | N3 | C4 | 119.3° | 121.8° |
| N3 | C4 | C13 | 122.3° | 120.9° |
| N3 | C4 | N5 | 118.2° | 117.1° |
| C13 | C4 | N5 | 119.5° | 122.0° |
| C4 | C13 | C14 | 117.1° | 116.1° |
| C4 | C13 | S12 | 123.9° | 122.1° |
| C4 | N5 | C6 | 127.6° | 126.3° |
| C4 | N5 | H5 | 117.5° | 118.0° |
| N5 | C6 | C11 | 122.2° | 122.4° |
| N5 | C6 | C7 | 118.1° | 118.7° |
| C6 | N5 | H5 | 114.8° | 115.8° |
| C11 | C6 | C7 | 119.7° | 118.9° |
| C6 | C11 | S12 | 122.3° | 123.5° |
| C6 | C11 | C10 | 119.5° | 119.5° |
| C6 | C7 | C8 | 120.1° | 121.2° |
| C6 | C7 | H7 | 120.0° | 120.1° |
| C13 | C14 | H14 | 121.2° | 122.0° |
| C14 | C13 | S12 | 118.9° | 121.8° |
| C13 | S12 | C11 | 104.4° | 103.8° |
| S12 | C11 | C10 | 118.2° | 117.0° |
| C11 | C10 | C9 | 120.6° | 120.9° |
| C11 | C10 | H10 | 119.7° | 120.8° |
| C8 | C7 | H7 | 119.9° | 118.7° |
| C7 | C8 | C9 | 120.2° | 119.7° |
| C7 | C8 | H8 | 119.9° | 120.2° |
| C9 | C8 | H8 | 119.9° | 120.2° |
| C8 | C9 | C10 | 120.0° | 119.8° |
| C8 | C9 | H9 | 120.0° | 120.2° |
| C10 | C9 | H9 | 120.0° | 120.1° |
| C9 | C10 | H10 | 119.7° | 118.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 122.5° | 126.6° |
| OP1 | P | OP2 | OP3 | 143.3° | 126.3° |
| OP1 | P | O5' | OP3 | 153.1° | 125.8° |
| OP1 | P | OP2 | HP2 | 180.0° | 48.8° |
| OP1 | P | O5' | C5' | 47.9° | 180.0° |
| OP1 | P | OP3 | HOP3 | 180.0° | 48.0° |
| OP2 | P | O5' | OP3 | 24.9° | 107.4° |
| OP2 | P | O5' | C5' | 176.0° | 53.2° |
| OP2 | P | OP3 | HOP3 | 79.6° | 78.5° |
| O5' | P | OP2 | HP2 | 57.5° | 175.4° |
| P | O5' | C5' | C4' | 170.4° | 180.0° |
| P | O5' | C5' | H5' | 68.5° | 59.6° |
| P | O5' | C5' | H5'' | 51.4° | 59.6° |
| O5' | P | OP3 | HOP3 | 127.0° | 173.8° |
| OP3 | P | OP2 | HP2 | 36.7° | 77.5° |
| OP3 | P | O5' | C5' | 159.1° | 54.2° |
| O5' | C5' | C4' | H5' | 122.6° | 119.6° |
| O5' | C5' | C4' | H5'' | 121.3° | 119.5° |
| O5' | C5' | H5' | H5'' | 121.9° | 119.0° |
| O5' | C5' | C4' | C3' | 53.0° | 179.5° |
| O5' | C5' | C4' | O4' | 68.5° | 62.4° |
| O5' | C5' | C4' | H4' | 172.4° | 54.7° |
| C4' | C5' | H5' | H5'' | 115.7° | 121.5° |
| C5' | C4' | C3' | O4' | 128.3° | 118.1° |
| C5' | C4' | C3' | H4' | 118.5° | 124.3° |
| C5' | C4' | O4' | H4' | 118.7° | 118.2° |
| C5' | C4' | C3' | C2' | 104.5° | 88.8° |
| C5' | C4' | C3' | O3' | 135.0° | 154.2° |
| C5' | C4' | C3' | H3' | 17.5° | 34.0° |
| C5' | C4' | O4' | C1' | 128.4° | 108.6° |
| H5' | C5' | C4' | C3' | 175.6° | 60.0° |
| H5' | C5' | C4' | O4' | 54.1° | 57.1° |
| H5' | C5' | C4' | H4' | 65.0° | 174.3° |
| H5'' | C5' | C4' | C3' | 68.3° | 61.0° |
| H5'' | C5' | C4' | O4' | 170.2° | 178.1° |
| H5'' | C5' | C4' | H4' | 51.1° | 64.8° |
| C3' | C4' | O4' | H4' | 114.0° | 120.5° |
| C4' | C3' | C2' | O3' | 119.0° | 117.1° |
| C4' | C3' | C2' | H3' | 121.4° | 123.0° |
| C4' | C3' | O3' | H3' | 120.9° | 123.9° |
| C4' | C3' | C2' | C1' | 38.0° | 33.4° |
| C4' | C3' | C2' | H2' | 80.8° | 84.1° |
| C4' | C3' | C2' | H2'' | 159.1° | 154.3° |
| C3' | C4' | O4' | C1' | 1.1° | 12.7° |
| C4' | C3' | O3' | HO3' | 180.0° | 116.8° |
| O4' | C4' | C3' | C2' | 23.8° | 29.2° |
| O4' | C4' | C3' | O3' | 96.7° | 87.7° |
| O4' | C4' | C3' | H3' | 145.8° | 152.1° |
| C4' | O4' | C1' | C2' | 25.0° | 9.0° |
| C4' | O4' | C1' | N1 | 146.1° | 131.7° |
| C4' | O4' | C1' | H1' | 91.5° | 111.3° |
| H4' | C4' | C3' | C2' | 137.1° | 146.9° |
| H4' | C4' | C3' | O3' | 16.5° | 29.9° |
| H4' | C4' | C3' | H3' | 100.9° | 90.3° |
| H4' | C4' | O4' | C1' | 112.9° | 133.2° |
| C2' | C3' | O3' | H3' | 123.3° | 123.4° |
| C3' | C2' | C1' | H2' | 115.9° | 116.9° |
| C3' | C2' | C1' | H2'' | 116.7° | 122.5° |
| C3' | C2' | H2' | H2'' | 119.2° | 125.1° |
| C3' | C2' | C1' | O4' | 38.0° | 26.9° |
| C3' | C2' | C1' | N1 | 157.8° | 147.4° |
| C3' | C2' | C1' | H1' | 79.3° | 91.2° |
| C2' | C3' | O3' | HO3' | 64.2° | 130.5° |
| O3' | C3' | C2' | C1' | 81.1° | 83.6° |
| O3' | C3' | C2' | H2' | 160.1° | 158.9° |
| O3' | C3' | C2' | H2'' | 40.0° | 37.2° |
| H3' | C3' | C2' | C1' | 159.4° | 156.4° |
| H3' | C3' | C2' | H2' | 40.6° | 38.9° |
| H3' | C3' | C2' | H2'' | 79.5° | 82.7° |
| H3' | C3' | O3' | HO3' | 59.1° | 7.1° |
| C1' | C2' | H2' | H2'' | 129.9° | 122.7° |
| C2' | C1' | O4' | N1 | 121.1° | 122.7° |
| C2' | C1' | O4' | H1' | 116.5° | 120.3° |
| C2' | C1' | N1 | H1' | 122.6° | 123.5° |
| C2' | C1' | N1 | C2 | 137.6° | 93.5° |
| C2' | C1' | N1 | C14 | 42.4° | 86.5° |
| H2' | C2' | C1' | O4' | 77.9° | 90.0° |
| H2' | C2' | C1' | N1 | 41.9° | 30.6° |
| H2' | C2' | C1' | H1' | 164.9° | 151.9° |
| H2'' | C2' | C1' | O4' | 154.6° | 149.4° |
| H2'' | C2' | C1' | N1 | 85.5° | 90.1° |
| H2'' | C2' | C1' | H1' | 37.4° | 31.3° |
| O4' | C1' | N1 | H1' | 122.7° | 117.1° |
| O4' | C1' | N1 | C2 | 107.7° | 147.1° |
| O4' | C1' | N1 | C14 | 72.3° | 32.9° |
| C1' | N1 | C2 | C14 | 180.0° | 180.0° |
| C1' | N1 | C2 | O2 | 0.8° | 0.0° |
| C1' | N1 | C2 | N3 | 178.4° | 180.0° |
| C1' | N1 | C14 | C13 | 179.0° | 179.9° |
| C1' | N1 | C14 | H14 | 0.2° | 0.0° |
| H1' | C1' | N1 | C2 | 15.0° | 30.0° |
| H1' | C1' | N1 | C14 | 165.0° | 150.0° |
| N1 | C2 | O2 | N3 | 179.2° | 180.0° |
| N1 | C2 | N3 | C4 | 2.6° | 0.0° |
| C2 | N1 | C14 | C13 | 1.1° | 0.1° |
| C2 | N1 | C14 | H14 | 179.8° | 180.0° |
| C14 | N1 | C2 | O2 | 179.2° | 180.0° |
| C14 | N1 | C2 | N3 | 1.6° | 0.1° |
| N1 | C14 | C13 | C4 | 2.6° | 0.1° |
| N1 | C14 | C13 | H14 | 179.1° | 179.9° |
| N1 | C14 | C13 | S12 | 175.5° | 180.0° |
| O2 | C2 | N3 | C4 | 178.3° | 180.0° |
| C2 | N3 | C4 | C13 | 1.0° | 0.0° |
| C2 | N3 | C4 | N5 | 177.7° | 179.9° |
| N3 | C4 | C13 | N5 | 178.7° | 180.0° |
| N3 | C4 | N5 | C6 | 179.3° | 179.9° |
| N3 | C4 | C13 | C14 | 1.6° | 0.0° |
| N3 | C4 | C13 | S12 | 176.4° | 179.9° |
| N3 | C4 | N5 | H5 | 3.0° | 0.0° |
| C13 | C4 | N5 | C6 | 0.6° | 0.1° |
| C4 | C13 | C14 | S12 | 178.1° | 179.9° |
| C4 | C13 | C14 | H14 | 178.3° | 180.0° |
| C13 | C4 | N5 | H5 | 178.3° | 180.0° |
| C4 | C13 | S12 | C11 | 1.7° | 0.2° |
| C4 | N5 | C6 | H5 | 177.8° | 179.9° |
| C4 | N5 | C6 | C11 | 3.9° | 0.1° |
| C4 | N5 | C6 | C7 | 177.1° | 179.8° |
| N5 | C4 | C13 | C14 | 179.7° | 180.0° |
| N5 | C4 | C13 | S12 | 2.3° | 0.1° |
| N5 | C6 | C11 | C7 | 179.0° | 179.9° |
| N5 | C6 | C11 | S12 | 4.0° | 0.1° |
| N5 | C6 | C11 | C10 | 178.9° | 179.9° |
| N5 | C6 | C7 | C8 | 178.4° | 179.9° |
| N5 | C6 | C7 | H7 | 1.5° | 0.1° |
| C6 | C11 | S12 | C13 | 1.3° | 0.2° |
| C11 | C6 | N5 | H5 | 178.3° | 180.0° |
| C6 | C11 | S12 | C10 | 177.1° | 180.0° |
| C11 | C6 | C7 | C8 | 0.7° | 0.0° |
| C11 | C6 | C7 | H7 | 179.4° | 180.0° |
| C6 | C11 | C10 | C9 | 0.6° | 0.1° |
| C6 | C11 | C10 | H10 | 179.6° | 180.0° |
| C7 | C6 | N5 | H5 | 0.7° | 0.1° |
| C7 | C6 | C11 | S12 | 176.9° | 180.0° |
| C7 | C6 | C11 | C10 | 0.1° | 0.0° |
| C6 | C7 | C8 | H7 | 179.9° | 180.0° |
| C6 | C7 | C8 | C9 | 0.6° | 0.0° |
| C6 | C7 | C8 | H8 | 179.6° | 180.0° |
| C14 | C13 | S12 | C11 | 179.7° | 179.9° |
| H14 | C14 | C13 | S12 | 3.5° | 0.1° |
| C13 | S12 | C11 | C10 | 178.4° | 179.8° |
| S12 | C11 | C10 | C9 | 177.7° | 180.0° |
| S12 | C11 | C10 | H10 | 2.4° | 0.1° |
| C11 | C10 | C9 | C8 | 0.7° | 0.1° |
| C11 | C10 | C9 | H10 | 179.8° | 179.9° |
| C11 | C10 | C9 | H9 | 179.4° | 179.9° |
| C7 | C8 | C9 | H8 | 179.8° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H9 | 179.9° | 180.0° |
| H7 | C7 | C8 | C9 | 179.5° | 180.0° |
| H7 | C7 | C8 | H8 | 0.3° | 0.0° |
| C8 | C9 | C10 | H9 | 179.9° | 180.0° |
| C8 | C9 | C10 | H10 | 179.5° | 180.0° |
| H8 | C8 | C9 | C10 | 179.7° | 180.0° |
| H8 | C8 | C9 | H9 | 0.2° | 0.0° |
| H9 | C9 | C10 | H10 | 0.5° | 0.0° |
