SG3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | P | sing | 1.61Å | 1.60Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| P | O4 | sing | 1.61Å | 1.60Å | |
| P | O2 | doub | 1.48Å | 1.48Å | |
| P | C5 | sing | 1.81Å | 1.84Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | doub | 1.31Å | 1.55Å | |
| C5 | H5C2 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.51Å | 1.55Å | |
| C6 | H6C2 | sing | 1.08Å | 1.08Å | |
| C7 | O13 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.58Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| C8 | C12 | sing | 1.53Å | 1.54Å | |
| C8 | F11 | sing | 1.40Å | 1.34Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C9 | O10 | sing | 1.43Å | 1.42Å | |
| C9 | H9C1 | sing | 1.09Å | 1.10Å | |
| C9 | H9C2 | sing | 1.09Å | 1.10Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O3 | H3 | 109.5° | 114.0° |
| O3 | P | O4 | 103.6° | 109.5° |
| O3 | P | O2 | 111.9° | 109.5° |
| O3 | P | C5 | 107.7° | 109.5° |
| O4 | P | O2 | 111.6° | 109.5° |
| O4 | P | C5 | 106.8° | 109.5° |
| P | O4 | H4 | 109.5° | 114.0° |
| O2 | P | C5 | 114.5° | 109.5° |
| P | C5 | C6 | 116.3° | 120.0° |
| P | C5 | H5C2 | 121.8° | 120.0° |
| C6 | C5 | H5C2 | 121.9° | 120.0° |
| C5 | C6 | C7 | 113.1° | 120.0° |
| C5 | C6 | H6C2 | 123.5° | 120.0° |
| C7 | C6 | H6C2 | 123.5° | 120.0° |
| C6 | C7 | O13 | 108.6° | 109.5° |
| C6 | C7 | C8 | 119.7° | 109.4° |
| C6 | C7 | H7 | 103.0° | 109.5° |
| O13 | C7 | C8 | 110.2° | 109.5° |
| O13 | C7 | H7 | 114.0° | 109.5° |
| C7 | O13 | H13 | 109.5° | 114.0° |
| C8 | C7 | H7 | 101.2° | 109.4° |
| C7 | C8 | C12 | 112.8° | 109.5° |
| C7 | C8 | F11 | 113.0° | 109.5° |
| C7 | C8 | C9 | 109.2° | 109.5° |
| C12 | C8 | F11 | 109.4° | 109.5° |
| C12 | C8 | C9 | 107.4° | 109.5° |
| C8 | C12 | H121 | 109.5° | 109.5° |
| C8 | C12 | H122 | 109.5° | 109.5° |
| C8 | C12 | H123 | 109.5° | 109.5° |
| F11 | C8 | C9 | 104.6° | 109.4° |
| C8 | C9 | O10 | 106.8° | 109.5° |
| C8 | C9 | H9C1 | 110.4° | 109.5° |
| C8 | C9 | H9C2 | 111.0° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.4° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| O10 | C9 | H9C1 | 110.4° | 109.5° |
| O10 | C9 | H9C2 | 111.0° | 109.5° |
| C9 | O10 | H10 | 109.5° | 114.0° |
| H9C1 | C9 | H9C2 | 107.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | P | O4 | O2 | 120.6° | 120.0° |
| O3 | P | O4 | C5 | 113.6° | 120.0° |
| O3 | P | O2 | C5 | 123.0° | 120.0° |
| O3 | P | O4 | H4 | 172.5° | 60.0° |
| O3 | P | C5 | C6 | 9.0° | 0.0° |
| O3 | P | C5 | H5C2 | 170.9° | 180.0° |
| H3 | O3 | P | O4 | 10.8° | 60.0° |
| H3 | O3 | P | O2 | 109.6° | 180.0° |
| H3 | O3 | P | C5 | 123.7° | 60.0° |
| O4 | P | O2 | C5 | 121.4° | 120.0° |
| O4 | P | C5 | C6 | 119.8° | 120.0° |
| O4 | P | C5 | H5C2 | 60.2° | 60.0° |
| O2 | P | O4 | H4 | 66.9° | 60.0° |
| O2 | P | C5 | C6 | 116.2° | 120.0° |
| O2 | P | C5 | H5C2 | 63.8° | 60.0° |
| C5 | P | O4 | H4 | 58.9° | 180.0° |
| P | C5 | C6 | H5C2 | 180.0° | 180.0° |
| P | C5 | C6 | C7 | 107.6° | 180.0° |
| P | C5 | C6 | H6C2 | 72.5° | 0.0° |
| C5 | C6 | C7 | H6C2 | 180.0° | 179.9° |
| C5 | C6 | C7 | O13 | 41.5° | 5.1° |
| C5 | C6 | C7 | C8 | 86.1° | 125.1° |
| C5 | C6 | C7 | H7 | 162.8° | 115.0° |
| H5C2 | C5 | C6 | C7 | 72.4° | 0.1° |
| H5C2 | C5 | C6 | H6C2 | 107.6° | 180.0° |
| C6 | C7 | O13 | C8 | 132.8° | 120.0° |
| C6 | C7 | O13 | H7 | 114.2° | 120.1° |
| C6 | C7 | C8 | H7 | 112.1° | 120.0° |
| C6 | C7 | O13 | H13 | 82.6° | 59.9° |
| C6 | C7 | C8 | C12 | 35.1° | 60.0° |
| C6 | C7 | C8 | F11 | 89.7° | 60.0° |
| C6 | C7 | C8 | C9 | 154.4° | 180.0° |
| H6C2 | C6 | C7 | O13 | 138.5° | 175.0° |
| H6C2 | C6 | C7 | C8 | 93.8° | 55.0° |
| H6C2 | C6 | C7 | H7 | 17.3° | 64.9° |
| O13 | C7 | C8 | H7 | 121.0° | 120.0° |
| O13 | C7 | C8 | C12 | 91.8° | 60.0° |
| O13 | C7 | C8 | F11 | 143.4° | 180.0° |
| O13 | C7 | C8 | C9 | 27.5° | 60.0° |
| C8 | C7 | O13 | H13 | 50.3° | 60.1° |
| C7 | C8 | C12 | F11 | 126.7° | 120.1° |
| C7 | C8 | C12 | C9 | 120.3° | 120.0° |
| C7 | C8 | F11 | C9 | 118.6° | 120.0° |
| C7 | C8 | C12 | H121 | 99.1° | 60.0° |
| C7 | C8 | C12 | H122 | 140.9° | 180.0° |
| C7 | C8 | C12 | H123 | 20.9° | 60.0° |
| C7 | C8 | C9 | O10 | 143.5° | 180.0° |
| C7 | C8 | C9 | H9C1 | 23.5° | 60.0° |
| C7 | C8 | C9 | H9C2 | 95.5° | 60.0° |
| H7 | C7 | O13 | H13 | 163.2° | 180.0° |
| H7 | C7 | C8 | C12 | 147.2° | 180.0° |
| H7 | C7 | C8 | F11 | 22.4° | 59.9° |
| H7 | C7 | C8 | C9 | 93.5° | 60.0° |
| C12 | C8 | F11 | C9 | 114.8° | 120.0° |
| C8 | C12 | H121 | H122 | 120.0° | 120.1° |
| C8 | C12 | H121 | H123 | 120.0° | 120.0° |
| C8 | C12 | H122 | H123 | 120.0° | 120.0° |
| C12 | C8 | C9 | O10 | 93.9° | 60.0° |
| C12 | C8 | C9 | H9C1 | 146.1° | 180.0° |
| C12 | C8 | C9 | H9C2 | 27.1° | 60.0° |
| F11 | C8 | C12 | H121 | 27.7° | 60.1° |
| F11 | C8 | C12 | H122 | 92.4° | 60.0° |
| F11 | C8 | C12 | H123 | 147.6° | 180.0° |
| F11 | C8 | C9 | O10 | 22.3° | 60.0° |
| F11 | C8 | C9 | H9C1 | 97.7° | 60.0° |
| F11 | C8 | C9 | H9C2 | 143.3° | 180.0° |
| C9 | C8 | C12 | H121 | 140.6° | 180.0° |
| C9 | C8 | C12 | H122 | 20.6° | 60.0° |
| C9 | C8 | C12 | H123 | 99.4° | 60.0° |
| C8 | C9 | O10 | H9C1 | 120.0° | 120.0° |
| C8 | C9 | O10 | H9C2 | 121.1° | 120.0° |
| C8 | C9 | H9C1 | H9C2 | 121.1° | 120.0° |
| C8 | C9 | O10 | H10 | 126.8° | 180.0° |
| H121 | C12 | H122 | H123 | 119.9° | 120.0° |
| O10 | C9 | H9C1 | H9C2 | 121.1° | 120.0° |
| H9C1 | C9 | O10 | H10 | 113.2° | 60.0° |
| H9C2 | C9 | O10 | H10 | 5.7° | 60.1° |
