GG9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C7 | sing | 1.47Å | 1.50Å | |
| C1 | C2 | doub | 1.32Å | 1.43Å | |
| C1 | C6 | sing | 1.50Å | 1.51Å | |
| C2 | C3 | sing | 1.50Å | 1.53Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | O1 | sing | 1.43Å | 1.56Å | |
| C3 | C4 | sing | 1.53Å | 1.59Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | O2 | sing | 1.43Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.58Å | |
| C5 | O3 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | O4 | doub | 1.22Å | 1.22Å | |
| C7 | O5 | sing | 1.35Å | 1.20Å | |
| O1 | P1 | sing | 1.61Å | 1.66Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | C8 | sing | 1.43Å | 1.45Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| P1 | O8 | doub | 1.48Å | 1.55Å | |
| P1 | O6 | sing | 1.61Å | 1.53Å | |
| P1 | O7 | sing | 1.61Å | 1.59Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | O14 | sing | 1.43Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.60Å | |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | F1 | sing | 1.40Å | 1.29Å | |
| C9 | F2 | sing | 1.40Å | 1.32Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | O9 | doub | 1.21Å | 1.28Å | |
| C10 | O10 | sing | 1.34Å | 1.25Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| P2 | O11 | doub | 1.48Å | 1.54Å | |
| P2 | O13 | sing | 1.61Å | 1.55Å | |
| P2 | O12 | sing | 1.61Å | 1.50Å | |
| P2 | O14 | sing | 1.61Å | 1.65Å | |
| 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) |
| C7 | C1 | C2 | 118.6° | 118.1° |
| C7 | C1 | C6 | 118.9° | 118.1° |
| C1 | C7 | O4 | 117.8° | 120.0° |
| C1 | C7 | O5 | 116.8° | 120.0° |
| C2 | C1 | C6 | 122.5° | 123.8° |
| C1 | C2 | C3 | 119.6° | 123.8° |
| C1 | C2 | H2 | 120.2° | 118.1° |
| C1 | C6 | C5 | 116.7° | 110.2° |
| C1 | C6 | H61 | 107.1° | 109.4° |
| C1 | C6 | H62 | 105.4° | 109.3° |
| C3 | C2 | H2 | 120.2° | 118.1° |
| C2 | C3 | O1 | 108.1° | 109.4° |
| C2 | C3 | C4 | 112.3° | 110.1° |
| C2 | C3 | H3 | 109.8° | 109.4° |
| O1 | C3 | C4 | 113.0° | 109.4° |
| O1 | C3 | H3 | 109.0° | 109.3° |
| C3 | O1 | P1 | 124.2° | 123.0° |
| C4 | C3 | H3 | 104.5° | 109.2° |
| C3 | C4 | C5 | 109.5° | 108.4° |
| C3 | C4 | O2 | 106.9° | 109.6° |
| C3 | C4 | H4 | 112.2° | 109.6° |
| C5 | C4 | O2 | 112.7° | 109.6° |
| C5 | C4 | H4 | 106.5° | 109.6° |
| C4 | C5 | C6 | 106.6° | 108.7° |
| C4 | C5 | O3 | 109.2° | 109.6° |
| C4 | C5 | H5 | 111.7° | 109.6° |
| O2 | C4 | H4 | 109.1° | 109.8° |
| C4 | O2 | HO2 | 109.5° | 114.0° |
| C6 | C5 | O3 | 110.0° | 109.7° |
| C6 | C5 | H5 | 110.9° | 109.5° |
| C5 | C6 | H61 | 107.1° | 109.5° |
| C5 | C6 | H62 | 105.5° | 109.2° |
| O3 | C5 | H5 | 108.3° | 109.8° |
| C5 | O3 | C8 | 123.2° | 114.0° |
| H61 | C6 | H62 | 115.4° | 109.2° |
| O4 | C7 | O5 | 125.4° | 120.0° |
| C7 | O5 | HO5 | 109.5° | 117.1° |
| O1 | P1 | O8 | 100.6° | 109.5° |
| O1 | P1 | O6 | 106.0° | 109.5° |
| O1 | P1 | O7 | 105.3° | 109.5° |
| O3 | C8 | O14 | 109.3° | 109.5° |
| O3 | C8 | C9 | 118.2° | 109.5° |
| O3 | C8 | C10 | 107.5° | 109.5° |
| O8 | P1 | O6 | 113.1° | 109.5° |
| O8 | P1 | O7 | 116.3° | 109.5° |
| O6 | P1 | O7 | 113.7° | 109.4° |
| P1 | O6 | HO6 | 109.5° | 114.0° |
| P1 | O7 | HO7 | 109.5° | 114.0° |
| O14 | C8 | C9 | 108.2° | 109.5° |
| O14 | C8 | C10 | 105.3° | 109.5° |
| C8 | O14 | P2 | 135.9° | 123.0° |
| C9 | C8 | C10 | 107.6° | 109.5° |
| C8 | C9 | F1 | 113.5° | 109.5° |
| C8 | C9 | F2 | 111.6° | 109.5° |
| C8 | C9 | H9 | 105.9° | 109.5° |
| C8 | C10 | O9 | 110.0° | 120.0° |
| C8 | C10 | O10 | 125.5° | 120.0° |
| F1 | C9 | F2 | 111.8° | 109.5° |
| F1 | C9 | H9 | 105.7° | 109.5° |
| F2 | C9 | H9 | 107.8° | 109.4° |
| O9 | C10 | O10 | 124.5° | 120.0° |
| C10 | O10 | HO10 | 109.5° | 117.0° |
| O11 | P2 | O13 | 110.2° | 109.5° |
| O11 | P2 | O12 | 111.5° | 109.5° |
| O11 | P2 | O14 | 107.9° | 109.5° |
| O13 | P2 | O12 | 112.5° | 109.5° |
| O13 | P2 | O14 | 110.6° | 109.5° |
| P2 | O13 | HO13 | 109.5° | 114.0° |
| O12 | P2 | O14 | 103.9° | 109.5° |
| P2 | O12 | HO12 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C1 | C2 | C6 | 178.8° | 179.8° |
| C7 | C1 | C2 | C3 | 179.5° | 179.6° |
| C7 | C1 | C2 | H2 | 0.5° | 0.4° |
| C7 | C1 | C6 | C5 | 169.5° | 163.1° |
| C7 | C1 | C6 | H61 | 49.5° | 42.6° |
| C7 | C1 | C6 | H62 | 73.8° | 76.9° |
| C1 | C7 | O4 | O5 | 178.2° | 179.9° |
| C1 | C7 | O5 | HO5 | 178.2° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | O1 | 103.2° | 103.0° |
| C1 | C2 | C3 | C4 | 22.2° | 17.2° |
| C1 | C2 | C3 | H3 | 138.0° | 137.3° |
| C2 | C1 | C6 | C5 | 11.7° | 16.7° |
| C2 | C1 | C6 | H61 | 131.7° | 137.1° |
| C2 | C1 | C6 | H62 | 105.0° | 103.3° |
| C2 | C1 | C7 | O4 | 33.7° | 0.1° |
| C2 | C1 | C7 | O5 | 144.6° | 180.0° |
| C6 | C1 | C2 | C3 | 0.6° | 0.2° |
| C6 | C1 | C2 | H2 | 179.4° | 179.9° |
| C1 | C6 | C5 | C4 | 42.8° | 49.4° |
| C1 | C6 | C5 | H61 | 120.0° | 120.3° |
| C1 | C6 | C5 | H62 | 116.6° | 120.1° |
| C1 | C6 | C5 | O3 | 161.1° | 169.2° |
| C1 | C6 | C5 | H5 | 79.0° | 70.3° |
| C1 | C6 | H61 | H62 | 117.0° | 119.6° |
| C6 | C1 | C7 | O4 | 147.4° | 179.7° |
| C6 | C1 | C7 | O5 | 34.3° | 0.2° |
| C2 | C3 | O1 | C4 | 124.9° | 120.7° |
| C2 | C3 | O1 | H3 | 119.3° | 119.7° |
| C2 | C3 | C4 | H3 | 119.0° | 120.1° |
| C2 | C3 | C4 | C5 | 55.1° | 49.8° |
| C2 | C3 | C4 | O2 | 177.5° | 169.5° |
| C2 | C3 | C4 | H4 | 62.9° | 69.9° |
| C2 | C3 | O1 | P1 | 92.8° | 120.0° |
| H2 | C2 | C3 | O1 | 76.8° | 77.0° |
| H2 | C2 | C3 | C4 | 157.8° | 162.8° |
| H2 | C2 | C3 | H3 | 42.0° | 42.8° |
| O1 | C3 | C4 | H3 | 118.4° | 119.6° |
| O1 | C3 | C4 | C5 | 67.5° | 70.5° |
| O1 | C3 | C4 | O2 | 54.9° | 49.2° |
| O1 | C3 | C4 | H4 | 174.5° | 169.9° |
| C3 | O1 | P1 | O8 | 179.6° | 55.0° |
| C3 | O1 | P1 | O6 | 61.6° | 175.0° |
| C3 | O1 | P1 | O7 | 59.2° | 65.0° |
| C3 | C4 | C5 | O2 | 118.9° | 119.7° |
| C3 | C4 | C5 | H4 | 121.6° | 119.7° |
| C3 | C4 | O2 | H4 | 121.6° | 120.5° |
| C3 | C4 | C5 | C6 | 63.7° | 67.9° |
| C3 | C4 | C5 | O3 | 177.5° | 172.2° |
| C3 | C4 | C5 | H5 | 57.6° | 51.7° |
| C4 | C3 | O1 | P1 | 142.2° | 119.3° |
| C3 | C4 | O2 | HO2 | 61.2° | 60.0° |
| H3 | C3 | C4 | C5 | 174.1° | 169.9° |
| H3 | C3 | C4 | O2 | 63.6° | 70.4° |
| H3 | C3 | C4 | H4 | 56.0° | 50.2° |
| H3 | C3 | O1 | P1 | 26.5° | 0.3° |
| C5 | C4 | O2 | H4 | 118.0° | 120.5° |
| C4 | C5 | C6 | O3 | 118.3° | 119.8° |
| C4 | C5 | C6 | H5 | 121.8° | 119.7° |
| C4 | C5 | O3 | H5 | 121.9° | 120.4° |
| C4 | C5 | C6 | H61 | 162.8° | 169.8° |
| C4 | C5 | C6 | H62 | 73.8° | 70.7° |
| C5 | C4 | O2 | HO2 | 59.2° | 179.0° |
| C4 | C5 | O3 | C8 | 108.9° | 142.7° |
| O2 | C4 | C5 | C6 | 177.5° | 172.4° |
| O2 | C4 | C5 | O3 | 58.6° | 52.5° |
| O2 | C4 | C5 | H5 | 61.2° | 68.0° |
| H4 | C4 | C5 | C6 | 57.9° | 51.8° |
| H4 | C4 | C5 | O3 | 60.9° | 68.1° |
| H4 | C4 | C5 | H5 | 179.2° | 171.4° |
| H4 | C4 | O2 | HO2 | 177.2° | 60.5° |
| C6 | C5 | O3 | H5 | 121.4° | 120.3° |
| C5 | C6 | H61 | H62 | 117.0° | 119.5° |
| C6 | C5 | O3 | C8 | 134.4° | 98.0° |
| O3 | C5 | C6 | H61 | 78.9° | 70.4° |
| O3 | C5 | C6 | H62 | 44.5° | 49.1° |
| C5 | O3 | C8 | O14 | 83.0° | 54.5° |
| C5 | O3 | C8 | C9 | 41.3° | 174.5° |
| C5 | O3 | C8 | C10 | 163.2° | 65.5° |
| H5 | C5 | C6 | H61 | 41.0° | 50.0° |
| H5 | C5 | C6 | H62 | 164.4° | 169.6° |
| H5 | C5 | O3 | C8 | 13.0° | 22.3° |
| O4 | C7 | O5 | HO5 | 0.0° | 0.1° |
| O1 | P1 | O8 | O6 | 112.6° | 120.0° |
| O1 | P1 | O8 | O7 | 113.1° | 120.0° |
| O1 | P1 | O6 | O7 | 115.1° | 120.0° |
| O1 | P1 | O6 | HO6 | 64.9° | 180.0° |
| O1 | P1 | O7 | HO7 | 122.7° | 60.0° |
| O3 | C8 | O14 | C9 | 129.9° | 120.0° |
| O3 | C8 | O14 | C10 | 115.3° | 120.0° |
| O3 | C8 | C9 | C10 | 121.9° | 120.0° |
| O3 | C8 | C9 | F1 | 50.1° | 56.4° |
| O3 | C8 | C9 | F2 | 177.5° | 63.6° |
| O3 | C8 | C9 | H9 | 65.4° | 176.4° |
| O3 | C8 | C10 | O9 | 54.8° | 115.0° |
| O3 | C8 | C10 | O10 | 123.8° | 65.0° |
| O3 | C8 | O14 | P2 | 59.9° | 180.0° |
| O8 | P1 | O6 | O7 | 135.6° | 120.0° |
| O8 | P1 | O6 | HO6 | 174.2° | 60.0° |
| O8 | P1 | O7 | HO7 | 12.3° | 180.0° |
| O6 | P1 | O7 | HO7 | 121.8° | 60.0° |
| O7 | P1 | O6 | HO6 | 50.3° | 60.0° |
| O14 | C8 | C9 | C10 | 113.3° | 120.0° |
| O14 | C8 | C9 | F1 | 74.7° | 176.4° |
| O14 | C8 | C9 | F2 | 52.7° | 56.4° |
| O14 | C8 | C9 | H9 | 169.8° | 63.6° |
| O14 | C8 | C10 | O9 | 61.7° | 5.0° |
| O14 | C8 | C10 | O10 | 119.7° | 175.0° |
| C8 | O14 | P2 | O11 | 148.1° | 55.0° |
| C8 | O14 | P2 | O13 | 27.5° | 175.0° |
| C8 | O14 | P2 | O12 | 93.5° | 65.0° |
| C8 | C9 | F1 | F2 | 127.4° | 120.0° |
| C8 | C9 | F1 | H9 | 115.6° | 120.0° |
| C8 | C9 | F2 | H9 | 115.9° | 120.0° |
| C9 | C8 | C10 | O9 | 176.9° | 125.0° |
| C9 | C8 | C10 | O10 | 4.5° | 55.0° |
| C9 | C8 | O14 | P2 | 70.0° | 60.0° |
| C10 | C8 | C9 | F1 | 172.0° | 63.6° |
| C10 | C8 | C9 | F2 | 60.6° | 176.4° |
| C10 | C8 | C9 | H9 | 56.5° | 56.4° |
| C8 | C10 | O9 | O10 | 178.7° | 180.0° |
| C8 | C10 | O10 | HO10 | 178.4° | 179.9° |
| C10 | C8 | O14 | P2 | 175.2° | 60.0° |
| F1 | C9 | F2 | H9 | 115.8° | 120.0° |
| O9 | C10 | O10 | HO10 | 0.0° | 0.1° |
| O11 | P2 | O13 | O12 | 125.1° | 120.0° |
| O11 | P2 | O13 | O14 | 119.2° | 120.0° |
| O11 | P2 | O12 | O14 | 116.0° | 120.0° |
| O11 | P2 | O12 | HO12 | 122.8° | 180.0° |
| O11 | P2 | O13 | HO13 | 138.7° | 59.9° |
| O13 | P2 | O12 | O14 | 119.7° | 120.0° |
| O13 | P2 | O12 | HO12 | 112.8° | 60.0° |
| O12 | P2 | O13 | HO13 | 96.2° | 60.0° |
| O14 | P2 | O12 | HO12 | 6.8° | 60.0° |
| O14 | P2 | O13 | HO13 | 19.4° | 180.0° |
