ZGK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.40Å | |
| C03 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | N09 | sing | 1.40Å | 1.46Å | |
| O11 | C10 | doub | 1.21Å | 1.19Å | |
| N09 | C10 | sing | 1.35Å | 1.45Å | |
| C10 | C12 | sing | 1.51Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| N09 | H8 | sing | 0.97Å | 1.00Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C05 | C06 | 120.5° | 120.2° |
| C05 | C04 | C03 | 120.4° | 120.0° |
| C05 | C04 | H4 | 119.8° | 120.0° |
| C04 | C05 | H5 | 119.7° | 119.9° |
| C05 | C06 | C07 | 119.1° | 120.2° |
| C06 | C05 | H5 | 119.8° | 119.9° |
| C05 | C06 | H6 | 120.5° | 119.9° |
| C04 | C03 | O02 | 120.4° | 120.1° |
| C04 | C03 | C08 | 119.5° | 119.8° |
| C03 | C04 | H4 | 119.8° | 120.0° |
| C06 | C07 | C08 | 120.7° | 119.9° |
| C07 | C06 | H6 | 120.4° | 119.9° |
| C06 | C07 | H7 | 119.7° | 120.1° |
| O02 | C03 | C08 | 120.1° | 120.1° |
| C03 | O02 | C01 | 115.8° | 117.0° |
| C03 | C08 | C07 | 119.8° | 119.9° |
| C03 | C08 | N09 | 117.9° | 120.1° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| C07 | C08 | N09 | 122.3° | 120.0° |
| C08 | C07 | H7 | 119.6° | 120.0° |
| C08 | N09 | C10 | 125.1° | 120.0° |
| C08 | N09 | H8 | 117.5° | 120.0° |
| O11 | C10 | N09 | 120.8° | 120.0° |
| O11 | C10 | C12 | 120.7° | 120.0° |
| N09 | C10 | C12 | 118.5° | 120.0° |
| C10 | N09 | H8 | 117.4° | 120.1° |
| C10 | C12 | H9 | 109.5° | 109.4° |
| C10 | C12 | H10 | 109.5° | 109.5° |
| C10 | C12 | H11 | 109.5° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H11 | 109.4° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C05 | C06 | H5 | 180.0° | 180.0° |
| C05 | C04 | C03 | H4 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 1.2° | 0.0° |
| C05 | C04 | C03 | O02 | 179.8° | 180.0° |
| C05 | C04 | C03 | C08 | 0.9° | 0.2° |
| C04 | C05 | C06 | H6 | 178.8° | 180.0° |
| C06 | C05 | C04 | C03 | 0.8° | 0.0° |
| C05 | C06 | C07 | H6 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 1.9° | 0.3° |
| C06 | C05 | C04 | H4 | 179.2° | 180.0° |
| C05 | C06 | C07 | H7 | 178.1° | 180.0° |
| C04 | C03 | O02 | C08 | 179.2° | 179.8° |
| C04 | C03 | O02 | C01 | 108.1° | 0.3° |
| C04 | C03 | C08 | C07 | 1.5° | 0.5° |
| C04 | C03 | C08 | N09 | 178.9° | 179.7° |
| C03 | C04 | C05 | H5 | 179.2° | 180.0° |
| C06 | C07 | C08 | C03 | 2.0° | 0.5° |
| C06 | C07 | C08 | H7 | 180.0° | 179.7° |
| C06 | C07 | C08 | N09 | 178.4° | 179.7° |
| C07 | C06 | C05 | H5 | 178.8° | 180.0° |
| O02 | C03 | C08 | C07 | 179.2° | 179.7° |
| O02 | C03 | C08 | N09 | 0.4° | 0.0° |
| C03 | O02 | C01 | H1 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O02 | C03 | C04 | H4 | 0.2° | 0.0° |
| C08 | C03 | O02 | C01 | 72.7° | 180.0° |
| C03 | C08 | C07 | N09 | 179.6° | 179.7° |
| C03 | C08 | N09 | C10 | 155.5° | 145.6° |
| C08 | C03 | C04 | H4 | 179.1° | 179.8° |
| C03 | C08 | C07 | H7 | 178.0° | 179.7° |
| C03 | C08 | N09 | H8 | 24.5° | 34.4° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C07 | C08 | N09 | C10 | 24.9° | 34.6° |
| C08 | C07 | C06 | H6 | 178.1° | 179.7° |
| C07 | C08 | N09 | H8 | 155.1° | 145.4° |
| C08 | N09 | C10 | O11 | 1.0° | 4.1° |
| C08 | N09 | C10 | H8 | 180.0° | 180.0° |
| C08 | N09 | C10 | C12 | 179.0° | 175.5° |
| N09 | C08 | C07 | H7 | 1.6° | 0.0° |
| O11 | C10 | N09 | C12 | 180.0° | 179.7° |
| O11 | C10 | N09 | H8 | 179.0° | 175.9° |
| O11 | C10 | C12 | H9 | 0.0° | 120.4° |
| O11 | C10 | C12 | H10 | 120.0° | 0.3° |
| O11 | C10 | C12 | H11 | 120.0° | 119.7° |
| N09 | C10 | C12 | H9 | 180.0° | 60.0° |
| N09 | C10 | C12 | H10 | 60.0° | 180.0° |
| N09 | C10 | C12 | H11 | 60.0° | 60.0° |
| C12 | C10 | N09 | H8 | 1.0° | 4.5° |
| C10 | C12 | H9 | H10 | 120.0° | 120.0° |
| C10 | C12 | H9 | H11 | 120.0° | 119.9° |
| C10 | C12 | H10 | H11 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C04 | C05 | H5 | 0.8° | 0.0° |
| H5 | C05 | C06 | H6 | 1.2° | 0.0° |
| H6 | C06 | C07 | H7 | 1.9° | 0.0° |
| H9 | C12 | H10 | H11 | 120.0° | 120.0° |
