Z4X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N13 | sing | 1.47Å | 1.47Å | |
| C14 | N13 | sing | 1.46Å | 1.46Å | |
| N13 | C11 | sing | 1.35Å | 1.47Å | |
| O03 | C04 | sing | 1.36Å | 1.41Å | |
| O03 | C02 | sing | 1.43Å | 1.41Å | |
| F06 | C05 | sing | 1.35Å | 1.36Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.54Å | |
| C11 | O12 | doub | 1.22Å | 1.19Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C05 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N13 | C14 | 120.7° | 120.0° |
| C15 | N13 | C11 | 120.9° | 120.0° |
| N13 | C15 | H1 | 109.5° | 109.5° |
| N13 | C15 | H2 | 109.5° | 109.5° |
| N13 | C15 | H3 | 109.5° | 109.5° |
| C14 | N13 | C11 | 118.4° | 120.0° |
| N13 | C14 | H12 | 109.5° | 109.5° |
| N13 | C14 | H13 | 109.5° | 109.5° |
| N13 | C14 | H14 | 109.5° | 109.5° |
| N13 | C11 | C10 | 121.1° | 120.0° |
| N13 | C11 | O12 | 119.5° | 120.1° |
| C04 | O03 | C02 | 115.1° | 117.0° |
| O03 | C04 | C05 | 119.6° | 120.2° |
| O03 | C04 | C10 | 121.0° | 120.1° |
| O03 | C02 | C01 | 108.5° | 109.5° |
| O03 | C02 | H7 | 109.7° | 109.4° |
| O03 | C02 | H8 | 109.7° | 109.4° |
| F06 | C05 | C04 | 119.5° | 120.0° |
| F06 | C05 | C07 | 119.9° | 119.9° |
| C05 | C04 | C10 | 119.3° | 119.7° |
| C04 | C05 | C07 | 120.6° | 120.1° |
| C04 | C10 | C11 | 120.6° | 120.2° |
| C04 | C10 | C09 | 119.9° | 119.7° |
| C10 | C11 | O12 | 119.4° | 120.0° |
| C11 | C10 | C09 | 119.4° | 120.2° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C01 | C02 | H7 | 109.7° | 109.4° |
| C01 | C02 | H8 | 109.7° | 109.5° |
| C05 | C07 | C08 | 119.9° | 120.3° |
| C05 | C07 | H9 | 120.1° | 119.8° |
| C10 | C09 | C08 | 120.4° | 119.9° |
| C10 | C09 | H11 | 119.8° | 120.1° |
| C07 | C08 | C09 | 119.8° | 120.4° |
| C08 | C07 | H9 | 120.0° | 119.9° |
| C07 | C08 | H10 | 120.1° | 119.8° |
| C09 | C08 | H10 | 120.1° | 119.9° |
| C08 | C09 | H11 | 119.8° | 120.0° |
| H1 | C15 | H2 | 109.4° | 109.5° |
| H1 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C02 | H8 | 109.5° | 109.6° |
| H12 | C14 | H13 | 109.4° | 109.4° |
| H12 | C14 | H14 | 109.4° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N13 | C14 | C11 | 179.9° | 180.0° |
| C15 | N13 | C11 | C10 | 0.5° | 175.1° |
| C15 | N13 | C11 | O12 | 179.2° | 4.9° |
| N13 | C15 | H1 | H2 | 120.0° | 120.0° |
| N13 | C15 | H1 | H3 | 120.0° | 120.0° |
| N13 | C15 | H2 | H3 | 120.0° | 120.0° |
| C15 | N13 | C14 | H12 | 180.0° | 94.0° |
| C15 | N13 | C14 | H13 | 60.0° | 146.0° |
| C15 | N13 | C14 | H14 | 60.0° | 26.0° |
| C14 | N13 | C11 | C10 | 179.6° | 4.9° |
| C14 | N13 | C11 | O12 | 0.9° | 175.1° |
| C14 | N13 | C15 | H1 | 180.0° | 90.0° |
| C14 | N13 | C15 | H2 | 60.0° | 30.0° |
| C14 | N13 | C15 | H3 | 60.0° | 150.0° |
| N13 | C14 | H12 | H13 | 120.0° | 120.0° |
| N13 | C14 | H12 | H14 | 120.0° | 120.0° |
| N13 | C14 | H13 | H14 | 120.0° | 120.0° |
| N13 | C11 | C10 | C04 | 94.1° | 134.4° |
| N13 | C11 | C10 | O12 | 178.8° | 179.9° |
| N13 | C11 | C10 | C09 | 89.1° | 45.4° |
| C11 | N13 | C15 | H1 | 0.1° | 90.0° |
| C11 | N13 | C15 | H2 | 119.9° | 150.0° |
| C11 | N13 | C15 | H3 | 120.1° | 30.0° |
| C11 | N13 | C14 | H12 | 0.1° | 86.0° |
| C11 | N13 | C14 | H13 | 120.1° | 34.0° |
| C11 | N13 | C14 | H14 | 119.9° | 154.0° |
| O03 | C04 | C05 | F06 | 0.6° | 0.0° |
| O03 | C04 | C05 | C10 | 177.9° | 180.0° |
| O03 | C04 | C10 | C11 | 2.7° | 0.3° |
| C04 | O03 | C02 | C01 | 136.4° | 180.0° |
| O03 | C04 | C05 | C07 | 179.6° | 180.0° |
| O03 | C04 | C10 | C09 | 179.5° | 180.0° |
| C04 | O03 | C02 | H7 | 103.8° | 60.1° |
| C04 | O03 | C02 | H8 | 16.6° | 60.0° |
| C02 | O03 | C04 | C05 | 82.0° | 90.0° |
| C02 | O03 | C04 | C10 | 100.2° | 90.0° |
| O03 | C02 | C01 | H7 | 119.8° | 119.9° |
| O03 | C02 | C01 | H8 | 119.8° | 120.0° |
| O03 | C02 | C01 | H4 | 180.0° | 60.0° |
| O03 | C02 | C01 | H5 | 60.0° | 180.0° |
| O03 | C02 | C01 | H6 | 60.0° | 60.0° |
| O03 | C02 | H7 | H8 | 120.4° | 120.0° |
| F06 | C05 | C04 | C07 | 179.8° | 180.0° |
| F06 | C05 | C04 | C10 | 178.5° | 180.0° |
| F06 | C05 | C07 | C08 | 179.3° | 180.0° |
| F06 | C05 | C07 | H9 | 0.7° | 0.0° |
| C05 | C04 | C10 | C11 | 179.4° | 179.7° |
| C05 | C04 | C10 | C09 | 2.7° | 0.0° |
| C04 | C05 | C07 | C08 | 0.4° | 0.1° |
| C04 | C05 | C07 | H9 | 179.6° | 180.0° |
| C04 | C10 | C11 | C09 | 176.8° | 179.8° |
| C04 | C10 | C11 | O12 | 87.1° | 45.6° |
| C10 | C04 | C05 | C07 | 1.8° | 0.0° |
| C04 | C10 | C09 | C08 | 1.4° | 0.1° |
| C04 | C10 | C09 | H11 | 178.6° | 180.0° |
| C11 | C10 | C09 | C08 | 178.2° | 179.7° |
| C11 | C10 | C09 | H11 | 1.8° | 0.2° |
| O12 | C11 | C10 | C09 | 89.7° | 134.7° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | H7 | H8 | 120.4° | 120.1° |
| C05 | C07 | C08 | H9 | 180.0° | 179.9° |
| C05 | C07 | C08 | C09 | 1.7° | 0.1° |
| C05 | C07 | C08 | H10 | 178.3° | 180.0° |
| C10 | C09 | C08 | C07 | 0.8° | 0.1° |
| C10 | C09 | C08 | H11 | 180.0° | 179.9° |
| C10 | C09 | C08 | H10 | 179.2° | 180.0° |
| C07 | C08 | C09 | H10 | 180.0° | 179.9° |
| C07 | C08 | C09 | H11 | 179.2° | 180.0° |
| C09 | C08 | C07 | H9 | 178.3° | 180.0° |
| H1 | C15 | H2 | H3 | 120.0° | 120.0° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H4 | C01 | C02 | H7 | 60.2° | 179.9° |
| H4 | C01 | C02 | H8 | 60.2° | 60.0° |
| H5 | C01 | C02 | H7 | 179.8° | 60.1° |
| H5 | C01 | C02 | H8 | 59.8° | 60.1° |
| H6 | C01 | C02 | H7 | 59.9° | 60.0° |
| H6 | C01 | C02 | H8 | 179.8° | 179.9° |
| H9 | C07 | C08 | H10 | 1.7° | 0.1° |
| H10 | C08 | C09 | H11 | 0.8° | 0.1° |
| H12 | C14 | H13 | H14 | 119.9° | 119.9° |
