E0O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C08 | doub | 1.21Å | 1.26Å | |
| C07 | C05 | sing | 1.53Å | 1.53Å | |
| C08 | O03 | sing | 1.34Å | 1.26Å | |
| C08 | C05 | sing | 1.51Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | O02 | sing | 1.43Å | 1.40Å | |
| O02 | C09 | sing | 1.36Å | 1.40Å | |
| C10 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | CL1 | sing | 1.74Å | 1.78Å | |
| C10 | H01 | sing | 1.08Å | 1.08Å | |
| C13 | H31 | sing | 1.08Å | 1.08Å | |
| C06 | H62 | sing | 1.09Å | 1.10Å | |
| C06 | H63 | sing | 1.09Å | 1.10Å | |
| C06 | H61 | sing | 1.09Å | 1.10Å | |
| C07 | H73 | sing | 1.09Å | 1.10Å | |
| C07 | H71 | sing | 1.09Å | 1.10Å | |
| C07 | H72 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C08 | O03 | 120.0° | 120.0° |
| O04 | C08 | C05 | 119.9° | 120.0° |
| C07 | C05 | C08 | 108.2° | 109.5° |
| C07 | C05 | C06 | 108.4° | 109.5° |
| C07 | C05 | O02 | 108.6° | 109.5° |
| C05 | C07 | H73 | 109.5° | 109.5° |
| C05 | C07 | H71 | 109.4° | 109.5° |
| C05 | C07 | H72 | 109.4° | 109.5° |
| O03 | C08 | C05 | 120.1° | 120.0° |
| C08 | O03 | H1 | 109.5° | 117.0° |
| C08 | C05 | C06 | 109.9° | 109.4° |
| C08 | C05 | O02 | 110.3° | 109.5° |
| C06 | C05 | O02 | 111.5° | 109.5° |
| C05 | C06 | H62 | 109.5° | 109.5° |
| C05 | C06 | H63 | 109.5° | 109.5° |
| C05 | C06 | H61 | 109.5° | 109.4° |
| C05 | O02 | C09 | 116.8° | 117.0° |
| O02 | C09 | C10 | 120.3° | 120.0° |
| O02 | C09 | C11 | 120.0° | 120.0° |
| C09 | C10 | C12 | 120.4° | 119.9° |
| C10 | C09 | C11 | 119.6° | 119.9° |
| C09 | C10 | H01 | 119.8° | 120.0° |
| C10 | C12 | C14 | 119.9° | 120.0° |
| C12 | C10 | H01 | 119.8° | 120.0° |
| C10 | C12 | H21 | 120.1° | 120.0° |
| C09 | C11 | C13 | 120.0° | 119.9° |
| C09 | C11 | H11 | 120.0° | 120.0° |
| C12 | C14 | C13 | 120.0° | 120.1° |
| C12 | C14 | CL1 | 119.7° | 120.0° |
| C14 | C12 | H21 | 120.0° | 119.9° |
| C11 | C13 | C14 | 120.0° | 120.0° |
| C11 | C13 | H31 | 120.0° | 120.0° |
| C13 | C11 | H11 | 120.0° | 120.0° |
| C13 | C14 | CL1 | 120.3° | 120.0° |
| C14 | C13 | H31 | 120.0° | 119.9° |
| H62 | C06 | H63 | 109.5° | 109.5° |
| H62 | C06 | H61 | 109.5° | 109.5° |
| H63 | C06 | H61 | 109.5° | 109.4° |
| H73 | C07 | H71 | 109.5° | 109.4° |
| H73 | C07 | H72 | 109.4° | 109.5° |
| H71 | C07 | H72 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C08 | C05 | C07 | 34.6° | 120.0° |
| O04 | C08 | O03 | C05 | 179.3° | 180.0° |
| O04 | C08 | C05 | C06 | 152.7° | 120.0° |
| O04 | C08 | C05 | O02 | 84.0° | 0.0° |
| O04 | C08 | O03 | H1 | 0.0° | 0.0° |
| C07 | C05 | C08 | O03 | 146.1° | 60.0° |
| C07 | C05 | C08 | C06 | 118.1° | 120.0° |
| C07 | C05 | C08 | O02 | 118.6° | 120.0° |
| C07 | C05 | C06 | O02 | 119.4° | 120.1° |
| C07 | C05 | O02 | C09 | 177.9° | 59.2° |
| C07 | C05 | C06 | H62 | 180.0° | 175.2° |
| C07 | C05 | C06 | H63 | 60.0° | 64.7° |
| C07 | C05 | C06 | H61 | 60.0° | 55.2° |
| C05 | C07 | H73 | H71 | 120.0° | 120.0° |
| C05 | C07 | H73 | H72 | 120.0° | 120.0° |
| C05 | C07 | H71 | H72 | 120.0° | 120.0° |
| O03 | C08 | C05 | C06 | 28.0° | 60.0° |
| O03 | C08 | C05 | O02 | 95.3° | 180.0° |
| C08 | C05 | C06 | O02 | 122.6° | 120.0° |
| C08 | C05 | O02 | C09 | 63.7° | 60.8° |
| C08 | C05 | C06 | H62 | 62.0° | 64.8° |
| C08 | C05 | C06 | H63 | 58.0° | 55.3° |
| C08 | C05 | C06 | H61 | 178.0° | 175.2° |
| C08 | C05 | C07 | H73 | 180.0° | 48.6° |
| C08 | C05 | C07 | H71 | 60.0° | 71.4° |
| C08 | C05 | C07 | H72 | 60.0° | 168.6° |
| C05 | C08 | O03 | H1 | 179.3° | 180.0° |
| C06 | C05 | O02 | C09 | 58.6° | 179.3° |
| C05 | C06 | H62 | H63 | 120.0° | 120.1° |
| C05 | C06 | H62 | H61 | 120.0° | 119.9° |
| C05 | C06 | H63 | H61 | 120.0° | 119.9° |
| C06 | C05 | C07 | H73 | 60.9° | 71.4° |
| C06 | C05 | C07 | H71 | 59.1° | 168.6° |
| C06 | C05 | C07 | H72 | 179.1° | 48.6° |
| C05 | O02 | C09 | C10 | 79.4° | 174.0° |
| C05 | O02 | C09 | C11 | 101.4° | 5.9° |
| O02 | C05 | C06 | H62 | 60.6° | 55.1° |
| O02 | C05 | C06 | H63 | 179.4° | 175.3° |
| O02 | C05 | C06 | H61 | 59.5° | 64.8° |
| O02 | C05 | C07 | H73 | 60.3° | 168.6° |
| O02 | C05 | C07 | H71 | 179.7° | 48.6° |
| O02 | C05 | C07 | H72 | 59.7° | 71.4° |
| O02 | C09 | C10 | C11 | 179.2° | 179.9° |
| O02 | C09 | C10 | C12 | 179.9° | 180.0° |
| O02 | C09 | C11 | C13 | 179.7° | 180.0° |
| O02 | C09 | C10 | H01 | 0.1° | 0.3° |
| O02 | C09 | C11 | H11 | 0.3° | 0.1° |
| C09 | C10 | C12 | H01 | 180.0° | 179.7° |
| C09 | C10 | C12 | C14 | 0.5° | 0.0° |
| C10 | C09 | C11 | C13 | 0.5° | 0.1° |
| C10 | C09 | C11 | H11 | 179.5° | 180.0° |
| C09 | C10 | C12 | H21 | 179.4° | 179.9° |
| C12 | C10 | C09 | C11 | 0.7° | 0.1° |
| C10 | C12 | C14 | H21 | 180.0° | 179.9° |
| C10 | C12 | C14 | C13 | 0.2° | 0.0° |
| C10 | C12 | C14 | CL1 | 179.8° | 179.9° |
| C09 | C11 | C13 | H11 | 180.0° | 179.9° |
| C09 | C11 | C13 | C14 | 0.2° | 0.1° |
| C11 | C09 | C10 | H01 | 179.3° | 179.8° |
| C09 | C11 | C13 | H31 | 179.8° | 180.0° |
| C12 | C14 | C13 | C11 | 0.0° | 0.0° |
| C12 | C14 | C13 | CL1 | 180.0° | 180.0° |
| C14 | C12 | C10 | H01 | 179.5° | 179.7° |
| C12 | C14 | C13 | H31 | 180.0° | 179.9° |
| C11 | C13 | C14 | H31 | 180.0° | 179.9° |
| C11 | C13 | C14 | CL1 | 180.0° | 180.0° |
| C14 | C13 | C11 | H11 | 179.9° | 180.0° |
| C13 | C14 | C12 | H21 | 179.8° | 180.0° |
| CL1 | C14 | C13 | H31 | 0.0° | 0.1° |
| CL1 | C14 | C12 | H21 | 0.2° | 0.0° |
| H01 | C10 | C12 | H21 | 0.5° | 0.2° |
| H31 | C13 | C11 | H11 | 0.1° | 0.1° |
| H62 | C06 | H63 | H61 | 120.0° | 120.0° |
| H73 | C07 | H71 | H72 | 120.0° | 120.0° |
