TI0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å | |
| C7 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C2 | sing | 1.47Å | 1.46Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| O1 | C1' | sing | 1.36Å | 1.36Å | |
| C1' | C6' | doub | 1.39Å | 1.39Å | Aromatic |
| C1' | C2' | sing | 1.39Å | 1.39Å | Aromatic |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C6' | C5' | sing | 1.38Å | 1.39Å | Aromatic |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| C2' | C3' | doub | 1.38Å | 1.39Å | Aromatic |
| C5' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C3' | C4' | sing | 1.38Å | 1.40Å | Aromatic |
| C4' | N1' | sing | 1.48Å | 1.39Å | |
| O6 | C6 | sing | 1.43Å | 1.44Å | |
| N1' | O2' | doub | 1.22Å | 1.39Å | |
| N1' | O1' | sing | 1.22Å | 1.39Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å | |
| C3' | H11 | sing | 1.08Å | 1.08Å | |
| C2' | H12 | sing | 1.08Å | 1.08Å | |
| C5' | H13 | sing | 1.08Å | 1.08Å | |
| C6' | H14 | sing | 1.08Å | 1.08Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | O7 | 121.2° | 120.0° |
| C8 | C7 | N2 | 115.4° | 120.0° |
| C7 | C8 | H15 | 109.5° | 109.4° |
| C7 | C8 | H16 | 109.4° | 109.5° |
| C7 | C8 | H17 | 109.5° | 109.5° |
| O7 | C7 | N2 | 123.3° | 120.0° |
| C7 | N2 | C2 | 123.3° | 120.0° |
| C7 | N2 | H8 | 118.3° | 119.9° |
| N2 | C2 | C3 | 110.5° | 109.5° |
| N2 | C2 | C1 | 111.9° | 109.5° |
| N2 | C2 | H2 | 109.1° | 109.5° |
| C2 | N2 | H8 | 118.4° | 120.0° |
| O3 | C3 | C2 | 109.6° | 109.6° |
| O3 | C3 | C4 | 112.0° | 109.5° |
| O3 | C3 | H3 | 109.1° | 109.6° |
| C3 | O3 | H18 | 109.5° | 114.0° |
| C3 | C2 | C1 | 108.7° | 109.2° |
| C2 | C3 | C4 | 110.4° | 109.0° |
| C3 | C2 | H2 | 108.2° | 109.5° |
| C2 | C3 | H3 | 107.9° | 109.6° |
| C2 | C1 | O1 | 108.0° | 109.5° |
| C2 | C1 | O5 | 109.6° | 109.4° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C1 | C2 | H2 | 108.3° | 109.6° |
| C3 | C4 | O4 | 110.7° | 109.5° |
| C3 | C4 | C5 | 109.6° | 109.1° |
| C4 | C3 | H3 | 107.9° | 109.5° |
| C3 | C4 | H4 | 108.3° | 109.5° |
| O1 | C1 | O5 | 111.0° | 109.5° |
| C1 | O1 | C1' | 123.8° | 117.0° |
| O1 | C1 | H1 | 109.9° | 109.5° |
| C1 | O5 | C5 | 114.4° | 114.1° |
| O5 | C1 | H1 | 109.9° | 109.4° |
| O1 | C1' | C6' | 117.3° | 120.1° |
| O1 | C1' | C2' | 122.7° | 120.0° |
| C6' | C1' | C2' | 120.1° | 119.9° |
| C1' | C6' | C5' | 121.0° | 120.0° |
| C1' | C6' | H14 | 119.5° | 120.0° |
| C1' | C2' | C3' | 119.1° | 119.9° |
| C1' | C2' | H12 | 120.5° | 120.0° |
| O4 | C4 | C5 | 110.5° | 109.5° |
| O4 | C4 | H4 | 109.4° | 109.6° |
| C4 | O4 | H9 | 109.5° | 114.0° |
| C4 | C5 | O5 | 111.3° | 109.4° |
| C4 | C5 | C6 | 111.9° | 109.5° |
| C5 | C4 | H4 | 108.2° | 109.5° |
| C4 | C5 | H5 | 108.6° | 109.5° |
| C6' | C5' | C4' | 118.9° | 120.0° |
| C6' | C5' | H13 | 120.5° | 120.0° |
| C5' | C6' | H14 | 119.5° | 120.0° |
| O5 | C5 | C6 | 106.5° | 109.5° |
| O5 | C5 | H5 | 109.9° | 109.5° |
| C2' | C3' | C4' | 120.5° | 120.0° |
| C2' | C3' | H11 | 119.7° | 120.0° |
| C3' | C2' | H12 | 120.4° | 120.0° |
| C5' | C4' | C3' | 120.4° | 120.1° |
| C5' | C4' | N1' | 119.5° | 119.9° |
| C4' | C5' | H13 | 120.5° | 120.0° |
| C5 | C6 | O6 | 108.6° | 109.5° |
| C6 | C5 | H5 | 108.7° | 109.5° |
| C5 | C6 | H6 | 109.7° | 109.5° |
| C5 | C6 | H7 | 109.7° | 109.5° |
| C3' | C4' | N1' | 120.2° | 119.9° |
| C4' | C3' | H11 | 119.8° | 119.9° |
| C4' | N1' | O2' | 119.5° | 120.0° |
| C4' | N1' | O1' | 120.8° | 120.0° |
| O6 | C6 | H6 | 109.7° | 109.4° |
| O6 | C6 | H7 | 109.7° | 109.5° |
| C6 | O6 | H10 | 109.5° | 114.0° |
| O2' | N1' | O1' | 119.7° | 120.0° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| H15 | C8 | H16 | 109.5° | 109.5° |
| H15 | C8 | H17 | 109.4° | 109.5° |
| H16 | C8 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | O7 | N2 | 179.7° | 180.0° |
| C8 | C7 | N2 | C2 | 178.7° | 180.0° |
| C8 | C7 | N2 | H8 | 1.3° | 0.0° |
| C7 | C8 | H15 | H16 | 120.0° | 120.0° |
| C7 | C8 | H15 | H17 | 120.0° | 120.0° |
| C7 | C8 | H16 | H17 | 120.0° | 120.0° |
| O7 | C7 | N2 | C2 | 1.0° | 0.1° |
| O7 | C7 | N2 | H8 | 179.0° | 180.0° |
| O7 | C7 | C8 | H15 | 0.0° | 89.9° |
| O7 | C7 | C8 | H16 | 120.0° | 150.0° |
| O7 | C7 | C8 | H17 | 120.0° | 30.0° |
| C7 | N2 | C2 | H8 | 180.0° | 180.0° |
| C7 | N2 | C2 | C3 | 172.0° | 155.0° |
| C7 | N2 | C2 | C1 | 66.7° | 85.3° |
| C7 | N2 | C2 | H2 | 53.1° | 34.9° |
| N2 | C7 | C8 | H15 | 179.7° | 90.0° |
| N2 | C7 | C8 | H16 | 59.7° | 30.0° |
| N2 | C7 | C8 | H17 | 60.3° | 150.0° |
| N2 | C2 | C3 | O3 | 56.1° | 63.2° |
| N2 | C2 | C3 | C1 | 123.2° | 119.9° |
| N2 | C2 | C3 | H2 | 119.4° | 120.1° |
| N2 | C2 | C1 | H2 | 120.3° | 120.2° |
| N2 | C2 | C3 | C4 | 179.9° | 176.9° |
| N2 | C2 | C1 | O1 | 60.1° | 57.5° |
| N2 | C2 | C1 | O5 | 178.9° | 177.6° |
| N2 | C2 | C1 | H1 | 58.9° | 62.5° |
| N2 | C2 | C3 | H3 | 62.5° | 57.1° |
| O3 | C3 | C2 | C4 | 123.8° | 119.9° |
| O3 | C3 | C2 | H3 | 118.6° | 120.3° |
| O3 | C3 | C2 | C1 | 179.3° | 176.9° |
| O3 | C3 | C4 | H3 | 120.0° | 120.2° |
| O3 | C3 | C4 | O4 | 54.1° | 57.0° |
| O3 | C3 | C4 | C5 | 176.3° | 176.9° |
| O3 | C3 | C2 | H2 | 63.3° | 56.9° |
| O3 | C3 | C4 | H4 | 65.9° | 63.2° |
| C3 | C2 | C1 | H2 | 117.4° | 119.9° |
| C2 | C3 | C4 | H3 | 117.6° | 119.9° |
| C3 | C2 | C1 | O1 | 62.2° | 62.3° |
| C3 | C2 | C1 | O5 | 58.8° | 57.7° |
| C2 | C3 | C4 | O4 | 68.3° | 62.9° |
| C2 | C3 | C4 | C5 | 53.9° | 57.0° |
| C3 | C2 | C1 | H1 | 178.7° | 177.6° |
| C2 | C3 | C4 | H4 | 171.8° | 176.9° |
| C3 | C2 | N2 | H8 | 8.0° | 25.0° |
| C2 | C3 | O3 | H18 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 56.9° | 57.0° |
| C2 | C1 | O1 | O5 | 120.1° | 120.0° |
| C2 | C1 | O1 | H1 | 118.2° | 120.0° |
| C2 | C1 | O5 | H1 | 119.1° | 119.9° |
| C2 | C1 | O1 | C1' | 175.2° | 170.0° |
| C2 | C1 | O5 | C5 | 60.7° | 61.2° |
| C1 | C2 | C3 | H3 | 60.7° | 62.8° |
| C1 | C2 | N2 | H8 | 113.3° | 94.7° |
| C3 | C4 | O4 | C5 | 121.6° | 119.6° |
| C3 | C4 | O4 | H4 | 119.3° | 120.2° |
| C3 | C4 | C5 | H4 | 117.9° | 119.9° |
| C3 | C4 | C5 | O5 | 52.9° | 57.6° |
| C3 | C4 | C5 | C6 | 171.9° | 177.5° |
| C4 | C3 | C2 | H2 | 60.5° | 63.0° |
| C3 | C4 | C5 | H5 | 68.2° | 62.4° |
| C3 | C4 | O4 | H9 | 180.0° | 179.9° |
| C4 | C3 | O3 | H18 | 57.2° | 60.4° |
| O1 | C1 | O5 | H1 | 121.7° | 120.1° |
| C1 | O1 | C1' | C6' | 165.1° | 180.0° |
| C1 | O1 | C1' | C2' | 14.8° | 0.3° |
| O1 | C1 | O5 | C5 | 58.4° | 58.8° |
| O1 | C1 | C2 | H2 | 179.6° | 177.7° |
| O5 | C1 | O1 | C1' | 55.1° | 70.0° |
| C1 | O5 | C5 | C4 | 58.0° | 61.2° |
| C1 | O5 | C5 | C6 | 179.7° | 178.9° |
| O5 | C1 | C2 | H2 | 58.6° | 62.3° |
| C1 | O5 | C5 | H5 | 62.2° | 58.8° |
| O1 | C1' | C6' | C2' | 179.9° | 179.8° |
| O1 | C1' | C6' | C5' | 180.0° | 180.0° |
| O1 | C1' | C2' | C3' | 179.9° | 180.0° |
| C1' | O1 | C1 | H1 | 66.7° | 50.0° |
| O1 | C1' | C2' | H12 | 0.1° | 0.0° |
| O1 | C1' | C6' | H14 | 0.0° | 0.1° |
| C1' | C6' | C5' | H14 | 180.0° | 179.9° |
| C6' | C1' | C2' | C3' | 0.0° | 0.2° |
| C1' | C6' | C5' | C4' | 0.2° | 0.0° |
| C6' | C1' | C2' | H12 | 179.9° | 179.8° |
| C1' | C6' | C5' | H13 | 179.8° | 180.0° |
| C2' | C1' | C6' | C5' | 0.2° | 0.2° |
| C1' | C2' | C3' | H12 | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 0.1° | 0.0° |
| C1' | C2' | C3' | H11 | 179.9° | 180.0° |
| C2' | C1' | C6' | H14 | 179.8° | 179.7° |
| O4 | C4 | C5 | H4 | 119.8° | 120.2° |
| O4 | C4 | C5 | O5 | 69.4° | 62.3° |
| O4 | C4 | C5 | C6 | 49.6° | 57.7° |
| O4 | C4 | C3 | H3 | 174.1° | 177.2° |
| O4 | C4 | C5 | H5 | 169.5° | 177.8° |
| C4 | C5 | O5 | C6 | 122.2° | 119.9° |
| C4 | C5 | O5 | H5 | 120.3° | 120.0° |
| C4 | C5 | C6 | H5 | 119.9° | 120.0° |
| C4 | C5 | C6 | O6 | 80.5° | 175.0° |
| C5 | C4 | C3 | H3 | 63.7° | 62.9° |
| C4 | C5 | C6 | H6 | 159.6° | 55.1° |
| C4 | C5 | C6 | H7 | 39.4° | 65.0° |
| C5 | C4 | O4 | H9 | 58.4° | 60.3° |
| C6' | C5' | C4' | H13 | 180.0° | 180.0° |
| C6' | C5' | C4' | C3' | 0.0° | 0.2° |
| C6' | C5' | C4' | N1' | 179.8° | 180.0° |
| O5 | C5 | C6 | H5 | 118.3° | 120.0° |
| O5 | C5 | C6 | O6 | 41.4° | 65.1° |
| C5 | O5 | C1 | H1 | 179.9° | 178.9° |
| O5 | C5 | C4 | H4 | 170.8° | 177.5° |
| O5 | C5 | C6 | H6 | 78.5° | 175.0° |
| O5 | C5 | C6 | H7 | 161.2° | 54.9° |
| C2' | C3' | C4' | C5' | 0.1° | 0.2° |
| C2' | C3' | C4' | H11 | 180.0° | 180.0° |
| C2' | C3' | C4' | N1' | 179.7° | 180.0° |
| C5' | C4' | C3' | N1' | 179.7° | 179.7° |
| C5' | C4' | N1' | O2' | 9.9° | 179.8° |
| C5' | C4' | N1' | O1' | 169.2° | 0.3° |
| C5' | C4' | C3' | H11 | 179.9° | 179.7° |
| C4' | C5' | C6' | H14 | 179.8° | 179.9° |
| C5 | C6 | O6 | H6 | 119.9° | 120.0° |
| C5 | C6 | O6 | H7 | 119.9° | 120.0° |
| C6 | C5 | C4 | H4 | 70.2° | 62.5° |
| C5 | C6 | H6 | H7 | 120.4° | 120.0° |
| C5 | C6 | O6 | H10 | 180.0° | 180.0° |
| C3' | C4' | N1' | O2' | 170.4° | 0.0° |
| C3' | C4' | N1' | O1' | 10.6° | 180.0° |
| C4' | C3' | C2' | H12 | 179.9° | 180.0° |
| C3' | C4' | C5' | H13 | 180.0° | 179.7° |
| C4' | N1' | O2' | O1' | 179.1° | 180.0° |
| N1' | C4' | C3' | H11 | 0.3° | 0.0° |
| N1' | C4' | C5' | H13 | 0.2° | 0.0° |
| O6 | C6 | C5 | H5 | 159.6° | 55.0° |
| O6 | C6 | H6 | H7 | 120.4° | 120.0° |
| H1 | C1 | C2 | H2 | 61.4° | 57.6° |
| H2 | C2 | C3 | H3 | 178.1° | 177.2° |
| H2 | C2 | N2 | H8 | 126.9° | 145.1° |
| H3 | C3 | C4 | H4 | 54.2° | 57.0° |
| H3 | C3 | O3 | H18 | 62.2° | 59.8° |
| H4 | C4 | C5 | H5 | 49.7° | 57.5° |
| H4 | C4 | O4 | H9 | 60.7° | 59.9° |
| H5 | C5 | C6 | H6 | 39.8° | 65.0° |
| H5 | C5 | C6 | H7 | 80.5° | 175.0° |
| H6 | C6 | O6 | H10 | 60.1° | 60.0° |
| H7 | C6 | O6 | H10 | 60.1° | 60.0° |
| H11 | C3' | C2' | H12 | 0.1° | 0.1° |
| H13 | C5' | C6' | H14 | 0.2° | 0.1° |
| H15 | C8 | H16 | H17 | 120.0° | 120.0° |
