TB6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C6 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | O10 | sing | 1.43Å | 1.41Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | P7 | sing | 1.82Å | 1.83Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O14 | P7 | doub | 1.48Å | 1.55Å | |
| P7 | O12 | sing | 1.61Å | 1.45Å | |
| P7 | O13 | sing | 1.61Å | 1.56Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.4° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | C6 | 111.4° | 109.5° |
| C1 | C2 | O10 | 108.5° | 109.5° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| C6 | C2 | O10 | 109.1° | 109.5° |
| C6 | C2 | H2 | 108.1° | 109.5° |
| C2 | C6 | P7 | 111.8° | 109.5° |
| C2 | C6 | H6 | 108.7° | 109.5° |
| C2 | C6 | H6A | 108.7° | 109.4° |
| O10 | C2 | H2 | 111.0° | 109.4° |
| C2 | O10 | HO10 | 109.5° | 114.0° |
| P7 | C6 | H6 | 108.7° | 109.5° |
| P7 | C6 | H6A | 108.7° | 109.5° |
| C6 | P7 | O14 | 110.3° | 109.5° |
| C6 | P7 | O12 | 112.5° | 109.4° |
| C6 | P7 | O13 | 109.3° | 109.5° |
| H6 | C6 | H6A | 110.3° | 109.5° |
| O14 | P7 | O12 | 113.3° | 109.5° |
| O14 | P7 | O13 | 98.9° | 109.5° |
| O12 | P7 | O13 | 111.8° | 109.5° |
| P7 | O12 | HO12 | 109.5° | 114.0° |
| P7 | O13 | HO13 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.1° |
| C1 | C2 | C6 | O10 | 119.7° | 120.0° |
| C1 | C2 | C6 | H2 | 119.5° | 120.1° |
| C1 | C2 | O10 | H2 | 119.5° | 120.0° |
| C1 | C2 | C6 | P7 | 179.2° | 175.0° |
| C1 | C2 | C6 | H6 | 60.8° | 65.0° |
| C1 | C2 | C6 | H6A | 59.2° | 55.0° |
| C1 | C2 | O10 | HO10 | 180.0° | 60.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | C6 | 180.0° | 180.0° |
| H1 | C1 | C2 | O10 | 59.9° | 60.0° |
| H1 | C1 | C2 | H2 | 61.0° | 60.0° |
| H1A | C1 | C2 | C6 | 60.0° | 60.0° |
| H1A | C1 | C2 | O10 | 179.9° | 180.0° |
| H1A | C1 | C2 | H2 | 59.0° | 60.0° |
| H1B | C1 | C2 | C6 | 60.0° | 60.0° |
| H1B | C1 | C2 | O10 | 60.1° | 60.0° |
| H1B | C1 | C2 | H2 | 179.1° | 179.9° |
| C6 | C2 | O10 | H2 | 119.0° | 120.0° |
| C2 | C6 | P7 | H6 | 120.0° | 120.0° |
| C2 | C6 | P7 | H6A | 120.0° | 120.0° |
| C2 | C6 | H6 | H6A | 119.1° | 120.0° |
| C2 | C6 | P7 | O14 | 53.3° | 54.9° |
| C2 | C6 | P7 | O12 | 179.2° | 65.0° |
| C2 | C6 | P7 | O13 | 54.4° | 175.0° |
| C6 | C2 | O10 | HO10 | 58.5° | 180.0° |
| O10 | C2 | C6 | P7 | 61.1° | 65.0° |
| O10 | C2 | C6 | H6 | 58.9° | 55.0° |
| O10 | C2 | C6 | H6A | 178.9° | 175.0° |
| H2 | C2 | C6 | P7 | 59.7° | 54.9° |
| H2 | C2 | C6 | H6 | 179.7° | 175.0° |
| H2 | C2 | C6 | H6A | 60.3° | 65.0° |
| H2 | C2 | O10 | HO10 | 60.5° | 60.0° |
| P7 | C6 | H6 | H6A | 119.1° | 120.0° |
| C6 | P7 | O14 | O12 | 127.1° | 119.9° |
| C6 | P7 | O14 | O13 | 114.5° | 120.0° |
| C6 | P7 | O12 | O13 | 123.5° | 120.0° |
| C6 | P7 | O12 | HO12 | 125.9° | 60.0° |
| C6 | P7 | O13 | HO13 | 115.3° | 180.0° |
| H6 | C6 | P7 | O14 | 173.3° | 175.0° |
| H6 | C6 | P7 | O12 | 59.2° | 55.0° |
| H6 | C6 | P7 | O13 | 65.6° | 65.0° |
| H6A | C6 | P7 | O14 | 66.6° | 65.0° |
| H6A | C6 | P7 | O12 | 60.9° | 175.0° |
| H6A | C6 | P7 | O13 | 174.3° | 55.0° |
| O14 | P7 | O12 | O13 | 110.6° | 120.1° |
| O14 | P7 | O12 | HO12 | 0.0° | 180.0° |
| O14 | P7 | O13 | HO13 | 0.0° | 60.0° |
| O12 | P7 | O13 | HO13 | 119.5° | 60.0° |
| O13 | P7 | O12 | HO12 | 110.6° | 60.0° |
