EE8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL9 | C5 | sing | 1.74Å | 1.76Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| O12 | C8 | sing | 1.36Å | 1.40Å | |
| O12 | C13 | sing | 1.43Å | 1.44Å | |
| C5 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | N4 | sing | 1.40Å | 1.43Å | |
| N4 | C7 | sing | 1.35Å | 1.36Å | |
| C7 | O11 | doub | 1.21Å | 1.23Å | |
| C7 | C10 | sing | 1.51Å | 1.51Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL9 | C5 | C8 | 120.5° | 120.0° |
| CL9 | C5 | C2 | 118.6° | 120.0° |
| C14 | C13 | O12 | 108.3° | 109.5° |
| C14 | C13 | H3 | 109.7° | 109.5° |
| C14 | C13 | H4 | 109.8° | 109.5° |
| C13 | C14 | H5 | 109.5° | 109.4° |
| C13 | C14 | H6 | 109.5° | 109.4° |
| C13 | C14 | H7 | 109.5° | 109.5° |
| C8 | O12 | C13 | 121.6° | 117.0° |
| O12 | C8 | C5 | 119.0° | 120.0° |
| O12 | C8 | C6 | 122.2° | 119.9° |
| O12 | C13 | H3 | 109.8° | 109.5° |
| O12 | C13 | H4 | 109.8° | 109.5° |
| C8 | C5 | C2 | 120.9° | 120.0° |
| C5 | C8 | C6 | 118.9° | 120.1° |
| C5 | C2 | C1 | 120.2° | 120.0° |
| C5 | C2 | H1 | 119.9° | 120.0° |
| C8 | C6 | C3 | 119.9° | 120.0° |
| C8 | C6 | H9 | 120.0° | 120.0° |
| C2 | C1 | C3 | 119.0° | 120.0° |
| C2 | C1 | N4 | 122.8° | 120.0° |
| C1 | C2 | H1 | 119.9° | 120.0° |
| C6 | C3 | C1 | 121.1° | 120.0° |
| C6 | C3 | H2 | 119.5° | 120.0° |
| C3 | C6 | H9 | 120.0° | 120.0° |
| C3 | C1 | N4 | 118.2° | 120.0° |
| C1 | C3 | H2 | 119.5° | 119.9° |
| C1 | N4 | C7 | 127.3° | 120.0° |
| C1 | N4 | H8 | 116.3° | 120.0° |
| N4 | C7 | O11 | 125.3° | 120.0° |
| N4 | C7 | C10 | 117.9° | 120.0° |
| C7 | N4 | H8 | 116.4° | 120.0° |
| O11 | C7 | C10 | 116.9° | 120.0° |
| C7 | C10 | H10 | 109.5° | 109.5° |
| C7 | C10 | H11 | 109.5° | 109.5° |
| C7 | C10 | H12 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H5 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.4° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H10 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL9 | C5 | C8 | O12 | 0.1° | 0.3° |
| CL9 | C5 | C8 | C2 | 179.9° | 179.7° |
| CL9 | C5 | C8 | C6 | 180.0° | 180.0° |
| CL9 | C5 | C2 | C1 | 179.7° | 179.7° |
| CL9 | C5 | C2 | H1 | 0.3° | 0.3° |
| C14 | C13 | O12 | C8 | 125.9° | 180.0° |
| C14 | C13 | O12 | H3 | 119.8° | 120.0° |
| C14 | C13 | O12 | H4 | 119.8° | 120.0° |
| C14 | C13 | H3 | H4 | 120.5° | 120.0° |
| C13 | C14 | H5 | H6 | 120.0° | 119.9° |
| C13 | C14 | H5 | H7 | 120.0° | 120.0° |
| C13 | C14 | H6 | H7 | 120.0° | 120.0° |
| O12 | C8 | C5 | C6 | 179.9° | 179.7° |
| O12 | C8 | C5 | C2 | 179.8° | 180.0° |
| O12 | C8 | C6 | C3 | 179.6° | 179.7° |
| C8 | O12 | C13 | H3 | 6.1° | 60.0° |
| C8 | O12 | C13 | H4 | 114.3° | 60.0° |
| O12 | C8 | C6 | H9 | 0.4° | 0.4° |
| C13 | O12 | C8 | C5 | 131.8° | 180.0° |
| C13 | O12 | C8 | C6 | 48.1° | 0.3° |
| O12 | C13 | H3 | H4 | 120.5° | 120.0° |
| O12 | C13 | C14 | H5 | 180.0° | 60.0° |
| O12 | C13 | C14 | H6 | 60.0° | 60.0° |
| O12 | C13 | C14 | H7 | 60.0° | 180.0° |
| C8 | C5 | C2 | C1 | 0.2° | 0.0° |
| C5 | C8 | C6 | C3 | 0.3° | 0.6° |
| C8 | C5 | C2 | H1 | 179.8° | 180.0° |
| C5 | C8 | C6 | H9 | 179.7° | 180.0° |
| C2 | C5 | C8 | C6 | 0.1° | 0.3° |
| C5 | C2 | C1 | H1 | 180.0° | 179.9° |
| C5 | C2 | C1 | C3 | 0.3° | 0.0° |
| C5 | C2 | C1 | N4 | 179.6° | 179.7° |
| C8 | C6 | C3 | H9 | 180.0° | 179.4° |
| C8 | C6 | C3 | C1 | 0.2° | 0.6° |
| C8 | C6 | C3 | H2 | 179.7° | 179.4° |
| C2 | C1 | C3 | C6 | 0.1° | 0.3° |
| C2 | C1 | C3 | N4 | 179.3° | 179.7° |
| C2 | C1 | N4 | C7 | 21.6° | 146.4° |
| C2 | C1 | C3 | H2 | 179.9° | 179.7° |
| C2 | C1 | N4 | H8 | 158.4° | 33.6° |
| C6 | C3 | C1 | H2 | 180.0° | 180.0° |
| C6 | C3 | C1 | N4 | 179.4° | 180.0° |
| C3 | C1 | N4 | C7 | 159.1° | 33.3° |
| C3 | C1 | C2 | H1 | 179.7° | 180.0° |
| C3 | C1 | N4 | H8 | 20.9° | 146.7° |
| C1 | C3 | C6 | H9 | 179.8° | 180.0° |
| C1 | N4 | C7 | H8 | 180.0° | 180.0° |
| C1 | N4 | C7 | O11 | 0.3° | 5.3° |
| C1 | N4 | C7 | C10 | 179.8° | 174.8° |
| N4 | C1 | C2 | H1 | 0.4° | 0.3° |
| N4 | C1 | C3 | H2 | 0.6° | 0.0° |
| N4 | C7 | O11 | C10 | 180.0° | 179.9° |
| N4 | C7 | C10 | H10 | 180.0° | 0.1° |
| N4 | C7 | C10 | H11 | 59.9° | 120.0° |
| N4 | C7 | C10 | H12 | 60.0° | 120.0° |
| O11 | C7 | N4 | H8 | 179.7° | 174.7° |
| O11 | C7 | C10 | H10 | 0.0° | 180.0° |
| O11 | C7 | C10 | H11 | 120.0° | 60.0° |
| O11 | C7 | C10 | H12 | 120.0° | 59.9° |
| C10 | C7 | N4 | H8 | 0.3° | 5.2° |
| C7 | C10 | H10 | H11 | 120.0° | 120.0° |
| C7 | C10 | H10 | H12 | 120.0° | 120.1° |
| C7 | C10 | H11 | H12 | 120.0° | 120.0° |
| H2 | C3 | C6 | H9 | 0.3° | 0.1° |
| H3 | C13 | C14 | H5 | 60.2° | 60.1° |
| H3 | C13 | C14 | H6 | 59.8° | 180.0° |
| H3 | C13 | C14 | H7 | 179.8° | 60.0° |
| H4 | C13 | C14 | H5 | 60.2° | 180.0° |
| H4 | C13 | C14 | H6 | 179.8° | 60.0° |
| H4 | C13 | C14 | H7 | 59.8° | 60.0° |
| H5 | C14 | H6 | H7 | 120.0° | 120.1° |
| H10 | C10 | H11 | H12 | 120.0° | 119.9° |
