EEK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | N11 | sing | 1.42Å | 1.35Å | |
| N11 | C10 | sing | 1.35Å | 1.43Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C10 | O13 | doub | 1.21Å | 1.21Å | |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C08 | O14 | doub | 1.21Å | 1.22Å | |
| C08 | N07 | sing | 1.35Å | 1.42Å | |
| N07 | C06 | sing | 1.40Å | 1.48Å | |
| C06 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | CL4 | sing | 1.74Å | 1.74Å | |
| C02 | CL1 | sing | 1.74Å | 1.73Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| N07 | H6 | sing | 0.97Å | 1.00Å | |
| N11 | H7 | sing | 0.97Å | 1.00Å | |
| O12 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | N11 | C10 | 115.8° | 120.0° |
| O12 | N11 | H7 | 122.1° | 120.0° |
| N11 | O12 | H8 | 109.5° | 113.9° |
| N11 | C10 | C09 | 119.9° | 120.0° |
| N11 | C10 | O13 | 121.4° | 120.0° |
| C10 | N11 | H7 | 122.1° | 120.0° |
| C09 | C10 | O13 | 118.8° | 120.0° |
| C10 | C09 | C08 | 113.4° | 109.5° |
| C10 | C09 | H3 | 108.5° | 109.4° |
| C10 | C09 | H4 | 108.5° | 109.5° |
| C09 | C08 | O14 | 118.3° | 120.0° |
| C09 | C08 | N07 | 122.3° | 120.0° |
| C08 | C09 | H3 | 108.5° | 109.5° |
| C08 | C09 | H4 | 108.5° | 109.5° |
| O14 | C08 | N07 | 119.4° | 120.0° |
| C08 | N07 | C06 | 126.0° | 120.0° |
| C08 | N07 | H6 | 117.0° | 120.0° |
| N07 | C06 | C15 | 122.5° | 120.1° |
| N07 | C06 | C05 | 121.9° | 120.0° |
| C06 | N07 | H6 | 117.0° | 120.0° |
| C15 | C06 | C05 | 115.5° | 119.9° |
| C06 | C15 | C16 | 122.5° | 120.0° |
| C06 | C15 | H1 | 118.8° | 120.0° |
| C06 | C05 | C03 | 121.5° | 119.9° |
| C06 | C05 | H2 | 119.2° | 120.0° |
| C15 | C16 | C02 | 120.3° | 120.1° |
| C16 | C15 | H1 | 118.8° | 120.0° |
| C15 | C16 | H5 | 119.9° | 120.0° |
| C05 | C03 | C02 | 121.6° | 120.0° |
| C05 | C03 | CL4 | 120.2° | 120.0° |
| C03 | C05 | H2 | 119.2° | 120.0° |
| C16 | C02 | C03 | 118.5° | 120.1° |
| C16 | C02 | CL1 | 120.2° | 119.9° |
| C02 | C16 | H5 | 119.9° | 120.0° |
| C02 | C03 | CL4 | 118.2° | 120.0° |
| C03 | C02 | CL1 | 121.3° | 120.0° |
| H3 | C09 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | N11 | C10 | H7 | 180.0° | 179.9° |
| O12 | N11 | C10 | C09 | 179.1° | 180.0° |
| O12 | N11 | C10 | O13 | 0.9° | 0.2° |
| N11 | C10 | C09 | O13 | 180.0° | 179.8° |
| N11 | C10 | C09 | C08 | 127.1° | 179.8° |
| N11 | C10 | C09 | H3 | 112.4° | 59.8° |
| N11 | C10 | C09 | H4 | 6.5° | 60.2° |
| C10 | N11 | O12 | H8 | 0.4° | 180.0° |
| C10 | C09 | C08 | H3 | 120.6° | 120.0° |
| C10 | C09 | C08 | H4 | 120.6° | 120.0° |
| C10 | C09 | C08 | O14 | 70.0° | 0.0° |
| C10 | C09 | C08 | N07 | 109.2° | 180.0° |
| C10 | C09 | H3 | H4 | 118.2° | 120.0° |
| C09 | C10 | N11 | H7 | 0.8° | 0.1° |
| O13 | C10 | C09 | C08 | 52.9° | 0.0° |
| O13 | C10 | C09 | H3 | 67.7° | 120.0° |
| O13 | C10 | C09 | H4 | 173.5° | 120.0° |
| O13 | C10 | N11 | H7 | 179.1° | 179.7° |
| C09 | C08 | O14 | N07 | 179.2° | 180.0° |
| C09 | C08 | N07 | C06 | 178.3° | 175.4° |
| C08 | C09 | H3 | H4 | 118.2° | 120.0° |
| C09 | C08 | N07 | H6 | 1.7° | 4.6° |
| O14 | C08 | N07 | C06 | 0.9° | 4.6° |
| O14 | C08 | C09 | H3 | 169.4° | 120.0° |
| O14 | C08 | C09 | H4 | 50.6° | 120.0° |
| O14 | C08 | N07 | H6 | 179.1° | 175.4° |
| C08 | N07 | C06 | H6 | 180.0° | 180.0° |
| C08 | N07 | C06 | C15 | 1.8° | 144.9° |
| C08 | N07 | C06 | C05 | 176.0° | 35.1° |
| N07 | C08 | C09 | H3 | 11.4° | 60.0° |
| N07 | C08 | C09 | H4 | 130.2° | 60.0° |
| N07 | C06 | C15 | C05 | 177.9° | 180.0° |
| N07 | C06 | C15 | C16 | 178.6° | 180.0° |
| N07 | C06 | C05 | C03 | 178.8° | 179.5° |
| N07 | C06 | C15 | H1 | 1.4° | 0.2° |
| N07 | C06 | C05 | H2 | 1.2° | 0.3° |
| C06 | C15 | C16 | H1 | 180.0° | 179.8° |
| C15 | C06 | C05 | C03 | 0.9° | 0.6° |
| C06 | C15 | C16 | C02 | 0.1° | 0.2° |
| C15 | C06 | C05 | H2 | 179.1° | 179.8° |
| C06 | C15 | C16 | H5 | 179.9° | 179.7° |
| C15 | C06 | N07 | H6 | 178.2° | 35.1° |
| C05 | C06 | C15 | C16 | 0.7° | 0.1° |
| C06 | C05 | C03 | H2 | 180.0° | 179.2° |
| C06 | C05 | C03 | C02 | 0.5° | 0.8° |
| C06 | C05 | C03 | CL4 | 179.5° | 179.7° |
| C05 | C06 | C15 | H1 | 179.3° | 179.8° |
| C05 | C06 | N07 | H6 | 4.0° | 144.9° |
| C15 | C16 | C02 | H5 | 180.0° | 179.9° |
| C15 | C16 | C02 | C03 | 0.3° | 0.1° |
| C15 | C16 | C02 | CL1 | 180.0° | 180.0° |
| C05 | C03 | C02 | C16 | 0.1° | 0.6° |
| C05 | C03 | C02 | CL4 | 180.0° | 179.5° |
| C05 | C03 | C02 | CL1 | 179.8° | 179.5° |
| C16 | C02 | C03 | CL1 | 179.7° | 179.9° |
| C16 | C02 | C03 | CL4 | 179.9° | 180.0° |
| C02 | C16 | C15 | H1 | 179.9° | 180.0° |
| C02 | C03 | C05 | H2 | 179.5° | 180.0° |
| C03 | C02 | C16 | H5 | 179.7° | 180.0° |
| CL4 | C03 | C02 | CL1 | 0.2° | 0.0° |
| CL4 | C03 | C05 | H2 | 0.5° | 0.5° |
| CL1 | C02 | C16 | H5 | 0.0° | 0.1° |
| H1 | C15 | C16 | H5 | 0.1° | 0.1° |
| H7 | N11 | O12 | H8 | 179.6° | 0.1° |
