ZGQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | doub | 1.21Å | 1.20Å | |
| C10 | N09 | sing | 1.35Å | 1.45Å | |
| C10 | C12 | sing | 1.51Å | 1.54Å | |
| N09 | C08 | sing | 1.47Å | 1.43Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C07 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| N09 | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | N09 | 118.6° | 120.0° |
| O11 | C10 | C12 | 121.6° | 119.9° |
| N09 | C10 | C12 | 119.8° | 120.0° |
| C10 | N09 | C08 | 117.8° | 120.0° |
| C10 | N09 | H10 | 121.1° | 120.0° |
| C10 | C12 | H11 | 109.5° | 109.5° |
| C10 | C12 | H12 | 109.5° | 109.5° |
| C10 | C12 | H13 | 109.5° | 109.5° |
| N09 | C08 | C07 | 115.3° | 109.5° |
| N09 | C08 | H8 | 108.0° | 109.4° |
| N09 | C08 | H9 | 108.0° | 109.5° |
| C08 | N09 | H10 | 121.1° | 120.0° |
| C08 | C07 | C02 | 120.7° | 120.0° |
| C08 | C07 | C06 | 117.8° | 120.0° |
| C07 | C08 | H8 | 108.0° | 109.5° |
| C07 | C08 | H9 | 108.0° | 109.5° |
| C01 | C02 | C07 | 121.7° | 120.0° |
| C01 | C02 | C03 | 119.4° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C07 | C06 | 120.9° | 120.0° |
| C07 | C02 | C03 | 118.9° | 120.0° |
| C07 | C06 | C05 | 120.0° | 120.1° |
| C07 | C06 | H7 | 120.0° | 120.0° |
| C02 | C03 | C04 | 120.1° | 120.1° |
| C02 | C03 | H4 | 119.9° | 120.0° |
| C06 | C05 | C04 | 119.2° | 120.0° |
| C06 | C05 | H6 | 120.4° | 120.1° |
| C05 | C06 | H7 | 120.0° | 119.9° |
| C03 | C04 | C05 | 120.8° | 120.0° |
| C04 | C03 | H4 | 119.9° | 120.0° |
| C03 | C04 | H5 | 119.6° | 120.0° |
| C05 | C04 | H5 | 119.6° | 120.0° |
| C04 | C05 | H6 | 120.4° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H11 | C12 | H13 | 109.4° | 109.4° |
| H12 | C12 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | N09 | C12 | 179.6° | 179.7° |
| O11 | C10 | N09 | C08 | 178.6° | 0.3° |
| O11 | C10 | N09 | H10 | 1.4° | 179.7° |
| O11 | C10 | C12 | H11 | 0.0° | 120.3° |
| O11 | C10 | C12 | H12 | 120.0° | 0.3° |
| O11 | C10 | C12 | H13 | 120.0° | 119.7° |
| C10 | N09 | C08 | H10 | 180.0° | 179.9° |
| C10 | N09 | C08 | C07 | 144.5° | 180.0° |
| C10 | N09 | C08 | H8 | 23.6° | 60.0° |
| C10 | N09 | C08 | H9 | 94.7° | 60.0° |
| N09 | C10 | C12 | H11 | 179.6° | 60.0° |
| N09 | C10 | C12 | H12 | 59.6° | 180.0° |
| N09 | C10 | C12 | H13 | 60.4° | 60.0° |
| C12 | C10 | N09 | C08 | 1.0° | 179.9° |
| C12 | C10 | N09 | H10 | 179.0° | 0.0° |
| C10 | C12 | H11 | H12 | 120.0° | 120.1° |
| C10 | C12 | H11 | H13 | 120.0° | 120.0° |
| C10 | C12 | H12 | H13 | 120.0° | 120.0° |
| N09 | C08 | C07 | H8 | 120.8° | 120.0° |
| N09 | C08 | C07 | H9 | 120.8° | 120.0° |
| N09 | C08 | C07 | C02 | 74.8° | 80.0° |
| N09 | C08 | C07 | C06 | 113.6° | 99.7° |
| N09 | C08 | H8 | H9 | 117.3° | 120.0° |
| C08 | C07 | C02 | C01 | 5.5° | 0.0° |
| C08 | C07 | C02 | C06 | 171.3° | 179.7° |
| C08 | C07 | C02 | C03 | 174.5° | 179.7° |
| C08 | C07 | C06 | C05 | 174.8° | 179.7° |
| C08 | C07 | C06 | H7 | 5.2° | 0.1° |
| C07 | C08 | H8 | H9 | 117.3° | 120.0° |
| C07 | C08 | N09 | H10 | 35.5° | 0.1° |
| C01 | C02 | C07 | C03 | 179.9° | 179.7° |
| C01 | C02 | C07 | C06 | 176.8° | 179.7° |
| C01 | C02 | C03 | C04 | 178.6° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 1.4° | 0.1° |
| C02 | C07 | C06 | C05 | 3.2° | 0.5° |
| C07 | C02 | C03 | C04 | 1.3° | 0.3° |
| C07 | C02 | C01 | H1 | 90.0° | 90.2° |
| C07 | C02 | C01 | H2 | 150.0° | 29.8° |
| C07 | C02 | C01 | H3 | 30.0° | 149.7° |
| C07 | C02 | C03 | H4 | 178.7° | 179.8° |
| C02 | C07 | C06 | H7 | 176.8° | 179.7° |
| C02 | C07 | C08 | H8 | 46.0° | 160.0° |
| C02 | C07 | C08 | H9 | 164.3° | 40.0° |
| C06 | C07 | C02 | C03 | 3.1° | 0.5° |
| C07 | C06 | C05 | H7 | 180.0° | 179.8° |
| C07 | C06 | C05 | C04 | 1.4° | 0.3° |
| C07 | C06 | C05 | H6 | 178.6° | 179.8° |
| C06 | C07 | C08 | H8 | 125.6° | 20.3° |
| C06 | C07 | C08 | H9 | 7.3° | 140.3° |
| C02 | C03 | C04 | H4 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.4° | 0.0° |
| C03 | C02 | C01 | H1 | 90.0° | 90.0° |
| C03 | C02 | C01 | H2 | 30.0° | 150.0° |
| C03 | C02 | C01 | H3 | 150.0° | 30.0° |
| C02 | C03 | C04 | H5 | 179.6° | 179.9° |
| C06 | C05 | C04 | C03 | 0.4° | 0.0° |
| C06 | C05 | C04 | H6 | 180.0° | 180.0° |
| C06 | C05 | C04 | H5 | 179.6° | 179.9° |
| C03 | C04 | C05 | H5 | 180.0° | 180.0° |
| C03 | C04 | C05 | H6 | 179.6° | 180.0° |
| C05 | C04 | C03 | H4 | 179.6° | 179.9° |
| C04 | C05 | C06 | H7 | 178.6° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | C04 | H5 | 0.4° | 0.0° |
| H5 | C04 | C05 | H6 | 0.4° | 0.0° |
| H6 | C05 | C06 | H7 | 1.4° | 0.0° |
| H8 | C08 | N09 | H10 | 156.4° | 120.1° |
| H9 | C08 | N09 | H10 | 85.3° | 119.9° |
| H11 | C12 | H12 | H13 | 120.0° | 119.9° |
