ZEK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | N10 | sing | 1.40Å | 1.45Å | |
| C09 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C03 | sing | 1.48Å | 1.53Å | |
| N02 | C03 | sing | 1.35Å | 1.46Å | |
| N02 | C01 | sing | 1.46Å | 1.45Å | |
| N10 | C11 | sing | 1.35Å | 1.45Å | |
| C03 | O04 | doub | 1.22Å | 1.19Å | |
| C11 | C13 | sing | 1.51Å | 1.52Å | |
| C11 | O12 | doub | 1.21Å | 1.19Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| N02 | H8 | sing | 0.97Å | 1.00Å | |
| C06 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| N10 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C07 | C06 | 119.0° | 120.2° |
| C07 | C08 | C09 | 120.5° | 120.3° |
| C08 | C07 | H10 | 120.5° | 119.9° |
| C07 | C08 | H11 | 119.8° | 119.9° |
| C07 | C06 | C05 | 120.7° | 120.0° |
| C07 | C06 | H9 | 119.6° | 120.0° |
| C06 | C07 | H10 | 120.5° | 119.9° |
| C08 | C09 | N10 | 118.3° | 120.0° |
| C08 | C09 | C15 | 120.5° | 120.0° |
| C09 | C08 | H11 | 119.7° | 119.8° |
| C06 | C05 | C15 | 120.2° | 119.8° |
| C06 | C05 | C03 | 119.1° | 120.1° |
| C05 | C06 | H9 | 119.6° | 120.0° |
| N10 | C09 | C15 | 121.0° | 120.0° |
| C09 | N10 | C11 | 124.0° | 120.0° |
| C09 | N10 | H12 | 118.0° | 120.0° |
| C09 | C15 | C05 | 118.9° | 119.8° |
| C09 | C15 | H4 | 120.6° | 120.1° |
| C15 | C05 | C03 | 120.7° | 120.1° |
| C05 | C15 | H4 | 120.5° | 120.1° |
| C05 | C03 | N02 | 120.0° | 120.0° |
| C05 | C03 | O04 | 119.6° | 120.0° |
| C03 | N02 | C01 | 121.0° | 120.0° |
| N02 | C03 | O04 | 120.4° | 120.0° |
| C03 | N02 | H8 | 119.5° | 120.0° |
| N02 | C01 | H5 | 109.5° | 109.5° |
| N02 | C01 | H6 | 109.5° | 109.5° |
| N02 | C01 | H7 | 109.4° | 109.5° |
| C01 | N02 | H8 | 119.5° | 120.0° |
| N10 | C11 | C13 | 117.9° | 120.0° |
| N10 | C11 | O12 | 122.2° | 120.1° |
| C11 | N10 | H12 | 118.0° | 120.0° |
| C13 | C11 | O12 | 120.0° | 119.9° |
| C11 | C13 | H1 | 109.5° | 109.4° |
| C11 | C13 | H2 | 109.5° | 109.4° |
| C11 | C13 | H3 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H1 | C13 | H3 | 109.4° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C07 | C06 | H10 | 180.0° | 179.7° |
| C07 | C08 | C09 | H11 | 180.0° | 179.7° |
| C08 | C07 | C06 | C05 | 1.4° | 0.0° |
| C07 | C08 | C09 | N10 | 178.5° | 180.0° |
| C07 | C08 | C09 | C15 | 2.2° | 0.6° |
| C08 | C07 | C06 | H9 | 178.7° | 180.0° |
| C06 | C07 | C08 | C09 | 1.3° | 0.3° |
| C07 | C06 | C05 | H9 | 180.0° | 180.0° |
| C07 | C06 | C05 | C15 | 2.2° | 0.0° |
| C07 | C06 | C05 | C03 | 179.0° | 180.0° |
| C06 | C07 | C08 | H11 | 178.7° | 180.0° |
| C08 | C09 | N10 | C15 | 176.3° | 179.4° |
| C08 | C09 | C15 | C05 | 2.9° | 0.6° |
| C08 | C09 | N10 | C11 | 103.0° | 145.0° |
| C08 | C09 | C15 | H4 | 177.1° | 179.7° |
| C09 | C08 | C07 | H10 | 178.6° | 180.0° |
| C08 | C09 | N10 | H12 | 77.0° | 35.0° |
| C06 | C05 | C15 | C09 | 2.9° | 0.3° |
| C06 | C05 | C15 | C03 | 178.8° | 180.0° |
| C06 | C05 | C03 | N02 | 4.4° | 0.0° |
| C06 | C05 | C03 | O04 | 174.6° | 180.0° |
| C06 | C05 | C15 | H4 | 177.1° | 180.0° |
| C05 | C06 | C07 | H10 | 178.6° | 179.7° |
| N10 | C09 | C15 | C05 | 179.1° | 180.0° |
| C09 | N10 | C11 | H12 | 180.0° | 180.0° |
| C09 | N10 | C11 | C13 | 179.6° | 175.4° |
| C09 | N10 | C11 | O12 | 1.2° | 4.7° |
| N10 | C09 | C15 | H4 | 0.9° | 0.3° |
| N10 | C09 | C08 | H11 | 1.6° | 0.3° |
| C09 | C15 | C05 | H4 | 180.0° | 179.7° |
| C09 | C15 | C05 | C03 | 178.2° | 179.7° |
| C15 | C09 | N10 | C11 | 80.7° | 35.6° |
| C15 | C09 | C08 | H11 | 177.9° | 179.7° |
| C15 | C09 | N10 | H12 | 99.3° | 144.4° |
| C15 | C05 | C03 | N02 | 176.8° | 180.0° |
| C15 | C05 | C03 | O04 | 4.3° | 0.0° |
| C15 | C05 | C06 | H9 | 177.9° | 180.0° |
| C05 | C03 | N02 | O04 | 179.0° | 180.0° |
| C05 | C03 | N02 | C01 | 179.6° | 180.0° |
| C03 | C05 | C15 | H4 | 1.8° | 0.0° |
| C05 | C03 | N02 | H8 | 0.4° | 0.0° |
| C03 | C05 | C06 | H9 | 1.0° | 0.0° |
| C03 | N02 | C01 | H8 | 180.0° | 180.0° |
| C03 | N02 | C01 | H5 | 180.0° | 60.0° |
| C03 | N02 | C01 | H6 | 60.0° | 180.0° |
| C03 | N02 | C01 | H7 | 60.0° | 60.0° |
| C01 | N02 | C03 | O04 | 0.6° | 0.0° |
| N02 | C01 | H5 | H6 | 120.0° | 120.0° |
| N02 | C01 | H5 | H7 | 120.0° | 120.0° |
| N02 | C01 | H6 | H7 | 120.0° | 120.1° |
| N10 | C11 | C13 | O12 | 179.2° | 179.9° |
| N10 | C11 | C13 | H1 | 179.2° | 0.1° |
| N10 | C11 | C13 | H2 | 60.8° | 120.0° |
| N10 | C11 | C13 | H3 | 59.2° | 120.0° |
| O04 | C03 | N02 | H8 | 179.4° | 180.0° |
| C11 | C13 | H1 | H2 | 120.0° | 119.9° |
| C11 | C13 | H1 | H3 | 120.0° | 120.0° |
| C11 | C13 | H2 | H3 | 120.0° | 120.0° |
| C13 | C11 | N10 | H12 | 0.4° | 4.6° |
| O12 | C11 | C13 | H1 | 0.0° | 180.0° |
| O12 | C11 | C13 | H2 | 120.0° | 60.1° |
| O12 | C11 | C13 | H3 | 120.0° | 60.0° |
| O12 | C11 | N10 | H12 | 178.8° | 175.3° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H5 | C01 | H6 | H7 | 120.0° | 119.9° |
| H5 | C01 | N02 | H8 | 0.0° | 120.0° |
| H6 | C01 | N02 | H8 | 120.0° | 0.1° |
| H7 | C01 | N02 | H8 | 120.0° | 120.0° |
| H9 | C06 | C07 | H10 | 1.4° | 0.3° |
| H10 | C07 | C08 | H11 | 1.3° | 0.3° |
