GWM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C01 | sing | 1.51Å | 1.51Å | |
| C06 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | O07 | sing | 1.36Å | 1.39Å | |
| O10 | P08 | doub | 1.48Å | 1.57Å | |
| O07 | P08 | sing | 1.61Å | 1.59Å | |
| P08 | O09 | sing | 1.61Å | 1.54Å | |
| P08 | O11 | sing | 1.61Å | 1.56Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| O09 | H8 | sing | 0.97Å | 0.95Å | |
| O11 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C01 | C06 | 118.7° | 120.0° |
| C12 | C01 | C02 | 120.3° | 120.0° |
| C01 | C12 | H1 | 109.5° | 109.5° |
| C01 | C12 | H2 | 109.4° | 109.5° |
| C01 | C12 | H3 | 109.4° | 109.5° |
| C01 | C06 | C05 | 120.0° | 120.1° |
| C06 | C01 | C02 | 120.9° | 120.1° |
| C01 | C06 | H7 | 120.0° | 119.9° |
| C06 | C05 | C04 | 119.5° | 120.0° |
| C06 | C05 | H6 | 120.2° | 120.1° |
| C05 | C06 | H7 | 120.0° | 120.0° |
| C01 | C02 | C03 | 119.4° | 120.0° |
| C01 | C02 | H4 | 120.3° | 120.0° |
| C05 | C04 | C03 | 120.6° | 119.8° |
| C05 | C04 | O07 | 120.5° | 120.1° |
| C04 | C05 | H6 | 120.3° | 119.9° |
| C02 | C03 | C04 | 119.5° | 120.0° |
| C03 | C02 | H4 | 120.3° | 120.0° |
| C02 | C03 | H5 | 120.2° | 120.0° |
| C03 | C04 | O07 | 118.8° | 120.0° |
| C04 | C03 | H5 | 120.3° | 120.0° |
| C04 | O07 | P08 | 124.5° | 114.0° |
| O10 | P08 | O07 | 105.7° | 109.5° |
| O10 | P08 | O09 | 112.0° | 109.4° |
| O10 | P08 | O11 | 114.0° | 109.5° |
| O07 | P08 | O09 | 109.8° | 109.5° |
| O07 | P08 | O11 | 105.2° | 109.5° |
| O09 | P08 | O11 | 109.8° | 109.5° |
| P08 | O09 | H8 | 109.5° | 114.0° |
| P08 | O11 | H9 | 109.5° | 114.0° |
| H1 | C12 | H2 | 109.5° | 109.4° |
| H1 | C12 | H3 | 109.5° | 109.4° |
| H2 | C12 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C01 | C06 | C02 | 178.5° | 179.8° |
| C12 | C01 | C06 | C05 | 179.5° | 179.8° |
| C12 | C01 | C02 | C03 | 179.4° | 180.0° |
| C01 | C12 | H1 | H2 | 120.0° | 120.0° |
| C01 | C12 | H1 | H3 | 120.0° | 120.0° |
| C01 | C12 | H2 | H3 | 120.0° | 120.0° |
| C12 | C01 | C02 | H4 | 0.6° | 0.0° |
| C12 | C01 | C06 | H7 | 0.5° | 0.1° |
| C01 | C06 | C05 | H7 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 0.8° | 0.5° |
| C06 | C01 | C02 | C03 | 2.1° | 0.2° |
| C06 | C01 | C12 | H1 | 89.3° | 90.3° |
| C06 | C01 | C12 | H2 | 150.7° | 29.7° |
| C06 | C01 | C12 | H3 | 30.7° | 149.8° |
| C06 | C01 | C02 | H4 | 177.9° | 179.8° |
| C01 | C06 | C05 | H6 | 179.2° | 179.8° |
| C05 | C06 | C01 | C02 | 2.0° | 0.4° |
| C06 | C05 | C04 | H6 | 180.0° | 179.8° |
| C06 | C05 | C04 | C03 | 0.3° | 0.2° |
| C06 | C05 | C04 | O07 | 176.9° | 179.8° |
| C01 | C02 | C03 | H4 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 1.0° | 0.0° |
| C02 | C01 | C12 | H1 | 89.2° | 90.0° |
| C02 | C01 | C12 | H2 | 30.7° | 150.1° |
| C02 | C01 | C12 | H3 | 150.8° | 30.0° |
| C01 | C02 | C03 | H5 | 179.0° | 180.0° |
| C02 | C01 | C06 | H7 | 178.0° | 179.7° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C05 | C04 | C03 | O07 | 176.7° | 180.0° |
| C05 | C04 | O07 | P08 | 59.0° | 90.0° |
| C05 | C04 | C03 | H5 | 179.8° | 180.0° |
| C04 | C05 | C06 | H7 | 179.2° | 179.7° |
| C02 | C03 | C04 | H5 | 180.0° | 180.0° |
| C02 | C03 | C04 | O07 | 176.9° | 180.0° |
| C03 | C04 | O07 | P08 | 124.4° | 90.0° |
| C04 | C03 | C02 | H4 | 179.0° | 180.0° |
| C03 | C04 | C05 | H6 | 179.7° | 180.0° |
| C04 | O07 | P08 | O10 | 70.8° | 55.0° |
| C04 | O07 | P08 | O09 | 50.2° | 175.0° |
| C04 | O07 | P08 | O11 | 168.3° | 65.0° |
| O07 | C04 | C03 | H5 | 3.1° | 0.0° |
| O07 | C04 | C05 | H6 | 3.1° | 0.0° |
| O10 | P08 | O07 | O09 | 121.0° | 120.0° |
| O10 | P08 | O07 | O11 | 120.9° | 120.0° |
| O10 | P08 | O09 | O11 | 127.6° | 120.0° |
| O10 | P08 | O09 | H8 | 0.0° | 60.0° |
| O10 | P08 | O11 | H9 | 0.0° | 180.0° |
| O07 | P08 | O09 | O11 | 115.2° | 120.0° |
| O07 | P08 | O09 | H8 | 117.1° | 180.0° |
| O07 | P08 | O11 | H9 | 115.4° | 60.0° |
| O09 | P08 | O11 | H9 | 126.5° | 60.0° |
| O11 | P08 | O09 | H8 | 127.7° | 60.0° |
| H1 | C12 | H2 | H3 | 120.0° | 120.0° |
| H4 | C02 | C03 | H5 | 1.0° | 0.0° |
| H6 | C05 | C06 | H7 | 0.8° | 0.1° |
