TG6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O62 | P6 | doub | 1.48Å | 1.65Å | |
| O61 | P6 | sing | 1.61Å | 1.55Å | |
| P6 | O63 | sing | 1.61Å | 1.71Å | |
| P6 | O6 | sing | 1.61Å | 1.54Å | |
| O6 | C6 | sing | 1.43Å | 1.41Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C2 | O2 | doub | 1.21Å | 1.20Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| O63 | H9 | sing | 0.97Å | 0.95Å | |
| O61 | H10 | sing | 0.97Å | 0.95Å | |
| O5 | H11 | sing | 0.97Å | 0.95Å | |
| O4 | H12 | sing | 0.97Å | 0.95Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O62 | P6 | O61 | 112.8° | 109.5° |
| O62 | P6 | O63 | 110.7° | 109.5° |
| O62 | P6 | O6 | 99.7° | 109.4° |
| O61 | P6 | O63 | 108.1° | 109.5° |
| O61 | P6 | O6 | 107.9° | 109.5° |
| P6 | O61 | H10 | 109.5° | 114.0° |
| O63 | P6 | O6 | 117.5° | 109.4° |
| P6 | O63 | H9 | 109.5° | 114.0° |
| P6 | O6 | C6 | 135.5° | 123.0° |
| O6 | C6 | C5 | 104.8° | 109.5° |
| O6 | C6 | H7 | 110.6° | 109.5° |
| O6 | C6 | H8 | 110.6° | 109.5° |
| C6 | C5 | O5 | 108.5° | 109.5° |
| C6 | C5 | C4 | 110.6° | 109.5° |
| C6 | C5 | H6 | 109.0° | 109.5° |
| C5 | C6 | H7 | 110.6° | 109.4° |
| C5 | C6 | H8 | 110.6° | 109.4° |
| O4 | C4 | C5 | 108.8° | 109.5° |
| O4 | C4 | C3 | 109.6° | 109.4° |
| O4 | C4 | H5 | 110.6° | 109.4° |
| C4 | O4 | H12 | 109.5° | 114.0° |
| O5 | C5 | C4 | 109.4° | 109.5° |
| O5 | C5 | H6 | 110.3° | 109.5° |
| C5 | O5 | H11 | 109.5° | 114.0° |
| C5 | C4 | C3 | 109.3° | 109.5° |
| C5 | C4 | H5 | 109.4° | 109.5° |
| C4 | C5 | H6 | 109.1° | 109.5° |
| C4 | C3 | C2 | 112.2° | 109.5° |
| C4 | C3 | O3 | 109.5° | 109.5° |
| C4 | C3 | H4 | 108.4° | 109.4° |
| C3 | C4 | H5 | 109.1° | 109.5° |
| C2 | C1 | O1 | 110.9° | 109.5° |
| C1 | C2 | C3 | 121.8° | 120.0° |
| C1 | C2 | O2 | 119.7° | 120.0° |
| C2 | C1 | H2 | 109.1° | 109.4° |
| C2 | C1 | H3 | 109.1° | 109.5° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| O1 | C1 | H2 | 109.1° | 109.4° |
| O1 | C1 | H3 | 109.1° | 109.5° |
| C2 | C3 | O3 | 108.4° | 109.5° |
| C3 | C2 | O2 | 118.5° | 120.0° |
| C2 | C3 | H4 | 108.7° | 109.5° |
| O3 | C3 | H4 | 109.7° | 109.5° |
| C3 | O3 | H13 | 109.5° | 114.0° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O62 | P6 | O61 | O63 | 122.8° | 120.0° |
| O62 | P6 | O61 | O6 | 109.1° | 120.0° |
| O62 | P6 | O63 | O6 | 113.6° | 119.9° |
| O62 | P6 | O6 | C6 | 62.9° | 55.0° |
| O62 | P6 | O63 | H9 | 0.0° | 60.0° |
| O62 | P6 | O61 | H10 | 0.0° | 180.0° |
| O61 | P6 | O63 | O6 | 122.3° | 120.0° |
| O61 | P6 | O6 | C6 | 55.1° | 65.0° |
| O61 | P6 | O63 | H9 | 124.1° | 60.0° |
| O63 | P6 | O6 | C6 | 177.5° | 175.0° |
| O63 | P6 | O61 | H10 | 122.8° | 60.0° |
| P6 | O6 | C6 | C5 | 113.3° | 180.0° |
| P6 | O6 | C6 | H7 | 6.0° | 60.0° |
| P6 | O6 | C6 | H8 | 127.4° | 60.0° |
| O6 | P6 | O63 | H9 | 113.6° | 179.9° |
| O6 | P6 | O61 | H10 | 109.1° | 60.0° |
| O6 | C6 | C5 | H7 | 119.3° | 120.0° |
| O6 | C6 | C5 | H8 | 119.2° | 120.0° |
| O6 | C6 | C5 | O5 | 59.3° | 65.0° |
| O6 | C6 | C5 | C4 | 179.2° | 175.0° |
| O6 | C6 | C5 | H6 | 60.8° | 55.0° |
| O6 | C6 | H7 | H8 | 122.1° | 120.0° |
| C6 | C5 | C4 | O4 | 61.8° | 55.0° |
| C6 | C5 | O5 | C4 | 120.7° | 120.0° |
| C6 | C5 | O5 | H6 | 119.3° | 120.0° |
| C6 | C5 | C4 | H6 | 119.9° | 120.0° |
| C6 | C5 | C4 | C3 | 178.6° | 175.0° |
| C6 | C5 | C4 | H5 | 59.1° | 64.9° |
| C5 | C6 | H7 | H8 | 122.2° | 119.9° |
| C6 | C5 | O5 | H11 | 180.0° | 60.0° |
| O4 | C4 | C5 | O5 | 57.6° | 65.0° |
| O4 | C4 | C5 | C3 | 119.6° | 120.0° |
| O4 | C4 | C5 | H5 | 121.0° | 120.0° |
| O4 | C4 | C3 | H5 | 121.3° | 119.9° |
| O4 | C4 | C3 | C2 | 59.8° | 59.9° |
| O4 | C4 | C3 | O3 | 179.8° | 180.0° |
| O4 | C4 | C3 | H4 | 60.2° | 60.0° |
| O4 | C4 | C5 | H6 | 178.3° | 175.1° |
| O5 | C5 | C4 | H6 | 120.7° | 120.0° |
| O5 | C5 | C4 | C3 | 62.1° | 55.0° |
| O5 | C5 | C4 | H5 | 178.5° | 175.0° |
| O5 | C5 | C6 | H7 | 60.0° | 175.0° |
| O5 | C5 | C6 | H8 | 178.5° | 55.0° |
| C5 | C4 | C3 | H5 | 119.6° | 120.1° |
| C5 | C4 | C3 | C2 | 178.9° | 180.0° |
| C5 | C4 | C3 | O3 | 60.7° | 60.0° |
| C5 | C4 | C3 | H4 | 59.0° | 60.0° |
| C4 | C5 | C6 | H7 | 59.9° | 55.0° |
| C4 | C5 | C6 | H8 | 61.6° | 65.0° |
| C4 | C5 | O5 | H11 | 59.3° | 60.1° |
| C5 | C4 | O4 | H12 | 180.0° | 59.9° |
| C4 | C3 | C2 | C1 | 23.9° | 75.0° |
| C4 | C3 | C2 | O3 | 121.0° | 120.0° |
| C4 | C3 | C2 | H4 | 119.8° | 120.0° |
| C4 | C3 | O3 | H4 | 118.8° | 120.0° |
| C4 | C3 | C2 | O2 | 156.0° | 105.0° |
| C3 | C4 | C5 | H6 | 58.6° | 64.9° |
| C3 | C4 | O4 | H12 | 60.6° | 60.1° |
| C4 | C3 | O3 | H13 | 180.0° | 60.0° |
| C2 | C1 | O1 | H2 | 120.2° | 119.9° |
| C2 | C1 | O1 | H3 | 120.2° | 120.1° |
| C1 | C2 | C3 | O2 | 180.0° | 180.0° |
| C1 | C2 | C3 | O3 | 97.1° | 165.0° |
| C2 | C1 | O1 | H1 | 0.1° | 180.0° |
| C2 | C1 | H2 | H3 | 119.4° | 120.1° |
| C1 | C2 | C3 | H4 | 143.7° | 44.9° |
| O1 | C1 | C2 | C3 | 179.8° | 180.0° |
| O1 | C1 | C2 | O2 | 0.2° | 0.0° |
| O1 | C1 | H2 | H3 | 119.3° | 120.0° |
| C2 | C3 | O3 | H4 | 118.5° | 120.0° |
| C3 | C2 | C1 | H2 | 59.6° | 60.1° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | C3 | C4 | H5 | 61.5° | 60.0° |
| C2 | C3 | O3 | H13 | 57.3° | 60.0° |
| O3 | C3 | C2 | O2 | 83.0° | 15.0° |
| O3 | C3 | C4 | H5 | 58.9° | 60.1° |
| O2 | C2 | C1 | H2 | 120.4° | 120.0° |
| O2 | C2 | C1 | H3 | 120.0° | 120.0° |
| O2 | C2 | C3 | H4 | 36.2° | 135.0° |
| H1 | O1 | C1 | H2 | 120.3° | 60.1° |
| H1 | O1 | C1 | H3 | 120.1° | 59.9° |
| H4 | C3 | C4 | H5 | 178.5° | 180.0° |
| H4 | C3 | O3 | H13 | 61.2° | 180.0° |
| H5 | C4 | C5 | H6 | 60.8° | 55.1° |
| H5 | C4 | O4 | H12 | 59.8° | 180.0° |
| H6 | C5 | C6 | H7 | 179.9° | 65.1° |
| H6 | C5 | C6 | H8 | 58.4° | 175.0° |
| H6 | C5 | O5 | H11 | 60.7° | 180.0° |
