E35
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | sing | 1.36Å | 1.38Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| O09 | C08 | sing | 1.36Å | 1.37Å | |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| C06 | C04 | sing | 1.48Å | 1.48Å | |
| C04 | O05 | doub | 1.21Å | 1.22Å | |
| C04 | O03 | sing | 1.35Å | 1.38Å | |
| C01 | C02 | sing | 1.53Å | 1.49Å | |
| O03 | C02 | sing | 1.45Å | 1.38Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| O09 | H7 | sing | 0.97Å | 0.95Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| O12 | H9 | sing | 0.97Å | 0.95Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C10 | 120.9° | 119.9° |
| O12 | C11 | C13 | 119.3° | 119.9° |
| C11 | O12 | H9 | 109.5° | 114.0° |
| C11 | C10 | C08 | 120.0° | 120.2° |
| C10 | C11 | C13 | 119.8° | 120.1° |
| C11 | C10 | H8 | 120.0° | 119.9° |
| C10 | C08 | O09 | 121.2° | 119.9° |
| C10 | C08 | C07 | 120.1° | 120.1° |
| C08 | C10 | H8 | 120.0° | 119.9° |
| C11 | C13 | C06 | 119.5° | 119.9° |
| C11 | C13 | H10 | 120.2° | 120.1° |
| O09 | C08 | C07 | 118.8° | 120.0° |
| C08 | O09 | H7 | 109.5° | 114.0° |
| C08 | C07 | C06 | 119.6° | 119.9° |
| C08 | C07 | H6 | 120.2° | 120.1° |
| C13 | C06 | C07 | 121.0° | 119.8° |
| C13 | C06 | C04 | 120.3° | 120.1° |
| C06 | C13 | H10 | 120.2° | 120.1° |
| C07 | C06 | C04 | 118.7° | 120.1° |
| C06 | C07 | H6 | 120.2° | 120.0° |
| C06 | C04 | O05 | 118.6° | 120.0° |
| C06 | C04 | O03 | 117.6° | 120.0° |
| O05 | C04 | O03 | 122.1° | 120.0° |
| C04 | O03 | C02 | 120.2° | 117.0° |
| C01 | C02 | O03 | 117.7° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 107.4° | 109.5° |
| C01 | C02 | H5 | 107.4° | 109.5° |
| O03 | C02 | H4 | 107.4° | 109.5° |
| O03 | C02 | H5 | 107.4° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C10 | C13 | 179.9° | 179.8° |
| O12 | C11 | C10 | C08 | 180.0° | 180.0° |
| O12 | C11 | C13 | C06 | 180.0° | 179.8° |
| O12 | C11 | C10 | H8 | 0.1° | 0.2° |
| O12 | C11 | C13 | H10 | 0.0° | 0.3° |
| C11 | C10 | C08 | H8 | 180.0° | 179.8° |
| C11 | C10 | C08 | O09 | 180.0° | 180.0° |
| C11 | C10 | C08 | C07 | 0.1° | 0.0° |
| C10 | C11 | C13 | C06 | 0.1° | 0.5° |
| C10 | C11 | O12 | H9 | 180.0° | 90.0° |
| C10 | C11 | C13 | H10 | 179.9° | 180.0° |
| C08 | C10 | C11 | C13 | 0.1° | 0.2° |
| C10 | C08 | O09 | C07 | 179.9° | 180.0° |
| C10 | C08 | C07 | C06 | 0.0° | 0.0° |
| C10 | C08 | C07 | H6 | 180.0° | 180.0° |
| C10 | C08 | O09 | H7 | 180.0° | 90.0° |
| C11 | C13 | C06 | H10 | 180.0° | 179.5° |
| C11 | C13 | C06 | C07 | 0.1° | 0.5° |
| C11 | C13 | C06 | C04 | 179.8° | 179.8° |
| C13 | C11 | C10 | H8 | 179.9° | 180.0° |
| C13 | C11 | O12 | H9 | 0.1° | 89.8° |
| O09 | C08 | C07 | C06 | 180.0° | 180.0° |
| O09 | C08 | C07 | H6 | 0.1° | 0.0° |
| O09 | C08 | C10 | H8 | 0.1° | 0.3° |
| C08 | C07 | C06 | C13 | 0.1° | 0.2° |
| C08 | C07 | C06 | H6 | 180.0° | 180.0° |
| C08 | C07 | C06 | C04 | 179.8° | 180.0° |
| C07 | C08 | O09 | H7 | 0.1° | 90.0° |
| C07 | C08 | C10 | H8 | 180.0° | 179.8° |
| C13 | C06 | C07 | C04 | 179.9° | 179.7° |
| C13 | C06 | C04 | O05 | 15.4° | 179.7° |
| C13 | C06 | C04 | O03 | 178.9° | 0.3° |
| C13 | C06 | C07 | H6 | 180.0° | 179.8° |
| C07 | C06 | C04 | O05 | 164.7° | 0.0° |
| C07 | C06 | C04 | O03 | 1.0° | 180.0° |
| C07 | C06 | C13 | H10 | 179.9° | 180.0° |
| C06 | C04 | O05 | O03 | 165.1° | 180.0° |
| C06 | C04 | O03 | C02 | 103.4° | 180.0° |
| C04 | C06 | C07 | H6 | 0.1° | 0.0° |
| C04 | C06 | C13 | H10 | 0.2° | 0.3° |
| O05 | C04 | O03 | C02 | 91.4° | 0.0° |
| C04 | O03 | C02 | C01 | 90.7° | 180.0° |
| C04 | O03 | C02 | H4 | 30.5° | 60.0° |
| C04 | O03 | C02 | H5 | 148.1° | 59.9° |
| C01 | C02 | O03 | H4 | 121.2° | 120.0° |
| C01 | C02 | O03 | H5 | 121.2° | 120.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 116.3° | 120.0° |
| O03 | C02 | C01 | H1 | 180.0° | 60.0° |
| O03 | C02 | C01 | H2 | 60.0° | 60.0° |
| O03 | C02 | C01 | H3 | 60.0° | 180.0° |
| O03 | C02 | H4 | H5 | 116.3° | 119.9° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 58.8° | 60.0° |
| H1 | C01 | C02 | H5 | 58.8° | 180.0° |
| H2 | C01 | C02 | H4 | 61.2° | NaN° |
| H2 | C01 | C02 | H5 | 178.9° | 60.0° |
| H3 | C01 | C02 | H4 | 178.8° | 60.0° |
| H3 | C01 | C02 | H5 | 61.1° | 60.0° |
