9ME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.24Å | |
| C16 | C15 | doub | 1.36Å | 1.39Å | Aromatic |
| C16 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C08 | doub | 1.41Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.37Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.42Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.40Å | Aromatic |
| C09 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C09 | N01 | doub | 1.33Å | 1.34Å | Aromatic |
| C10 | C02 | sing | 1.48Å | 1.48Å | |
| C10 | N01 | sing | 1.32Å | 1.36Å | Aromatic |
| C02 | C01 | sing | 1.48Å | 1.47Å | |
| C07 | C01 | doub | 1.40Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | C03 | sing | 1.40Å | 1.40Å | Aromatic |
| O02 | C06 | sing | 1.36Å | 1.36Å | |
| C06 | C05 | doub | 1.39Å | 1.41Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | F01 | sing | 1.35Å | 1.34Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| O02 | H4 | sing | 0.97Å | 0.95Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C10 | 119.1° | 120.1° |
| O01 | C02 | C01 | 115.8° | 120.0° |
| C15 | C16 | C08 | 119.5° | 119.6° |
| C16 | C15 | C14 | 120.5° | 120.9° |
| C16 | C15 | H9 | 119.8° | 119.5° |
| C15 | C16 | H10 | 120.3° | 120.2° |
| C16 | C08 | C12 | 120.6° | 121.2° |
| C16 | C08 | C09 | 120.4° | 119.5° |
| C08 | C16 | H10 | 120.2° | 120.2° |
| C15 | C14 | C13 | 119.7° | 121.1° |
| C15 | C14 | H8 | 120.1° | 119.4° |
| C14 | C15 | H9 | 119.7° | 119.6° |
| C08 | C12 | C11 | 119.1° | 118.2° |
| C12 | C08 | C09 | 118.9° | 119.2° |
| C08 | C12 | H6 | 120.4° | 120.9° |
| C12 | C11 | C10 | 117.9° | 119.8° |
| C12 | C11 | H1 | 121.1° | 120.1° |
| C11 | C12 | H6 | 120.4° | 120.9° |
| C08 | C09 | C13 | 119.0° | 119.0° |
| C08 | C09 | N01 | 122.5° | 119.9° |
| C11 | C10 | C02 | 117.4° | 119.2° |
| C11 | C10 | N01 | 124.6° | 121.5° |
| C10 | C11 | H1 | 121.0° | 120.1° |
| C14 | C13 | C09 | 120.9° | 119.7° |
| C14 | C13 | H7 | 119.6° | 120.2° |
| C13 | C14 | H8 | 120.2° | 119.4° |
| C13 | C09 | N01 | 118.5° | 121.0° |
| C09 | C13 | H7 | 119.5° | 120.1° |
| C09 | N01 | C10 | 117.0° | 121.3° |
| C02 | C10 | N01 | 117.9° | 119.3° |
| C10 | C02 | C01 | 125.1° | 120.0° |
| C02 | C01 | C07 | 118.6° | 120.1° |
| C02 | C01 | C03 | 119.0° | 120.1° |
| C01 | C07 | C06 | 117.1° | 119.8° |
| C07 | C01 | C03 | 122.4° | 119.8° |
| C01 | C07 | H5 | 121.4° | 120.1° |
| C07 | C06 | O02 | 117.7° | 120.0° |
| C07 | C06 | C05 | 120.9° | 120.0° |
| C06 | C07 | H5 | 121.5° | 120.1° |
| C01 | C03 | C04 | 120.1° | 119.9° |
| C01 | C03 | H2 | 119.9° | 120.0° |
| O02 | C06 | C05 | 121.4° | 120.0° |
| C06 | O02 | H4 | 109.5° | 114.0° |
| C06 | C05 | C04 | 121.4° | 120.2° |
| C06 | C05 | F01 | 122.4° | 119.9° |
| C03 | C04 | C05 | 118.0° | 120.2° |
| C04 | C03 | H2 | 119.9° | 120.0° |
| C03 | C04 | H3 | 121.0° | 119.9° |
| C04 | C05 | F01 | 116.2° | 119.9° |
| C05 | C04 | H3 | 121.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C10 | C11 | 56.9° | 3.0° |
| O01 | C02 | C10 | C01 | 179.0° | 180.0° |
| O01 | C02 | C10 | N01 | 121.2° | 177.2° |
| O01 | C02 | C01 | C07 | 26.6° | 172.2° |
| O01 | C02 | C01 | C03 | 151.4° | 7.6° |
| C15 | C16 | C08 | H10 | 180.0° | 179.3° |
| C16 | C15 | C14 | H9 | 180.0° | 179.7° |
| C15 | C16 | C08 | C12 | 180.0° | 179.7° |
| C15 | C16 | C08 | C09 | 0.0° | 0.6° |
| C16 | C15 | C14 | C13 | 0.4° | 0.4° |
| C16 | C15 | C14 | H8 | 179.6° | 179.7° |
| C08 | C16 | C15 | C14 | 0.2° | 0.6° |
| C16 | C08 | C12 | C09 | 180.0° | 179.7° |
| C16 | C08 | C12 | C11 | 179.7° | 179.9° |
| C16 | C08 | C09 | C13 | 0.0° | 0.3° |
| C16 | C08 | C09 | N01 | 180.0° | 180.0° |
| C16 | C08 | C12 | H6 | 0.3° | 0.3° |
| C08 | C16 | C15 | H9 | 179.8° | 179.7° |
| C15 | C14 | C13 | H8 | 180.0° | 180.0° |
| C15 | C14 | C13 | C09 | 0.4° | 0.0° |
| C15 | C14 | C13 | H7 | 179.6° | 179.9° |
| C14 | C15 | C16 | H10 | 179.7° | 179.9° |
| C08 | C12 | C11 | H6 | 180.0° | 179.8° |
| C08 | C12 | C11 | C10 | 0.5° | 0.0° |
| C12 | C08 | C09 | C13 | 180.0° | 180.0° |
| C12 | C08 | C09 | N01 | 0.0° | 0.3° |
| C08 | C12 | C11 | H1 | 179.5° | 180.0° |
| C12 | C08 | C16 | H10 | 0.0° | 0.4° |
| C11 | C12 | C08 | C09 | 0.3° | 0.2° |
| C12 | C11 | C10 | H1 | 180.0° | 180.0° |
| C12 | C11 | C10 | C02 | 178.4° | 180.0° |
| C12 | C11 | C10 | N01 | 0.5° | 0.2° |
| C08 | C09 | C13 | C14 | 0.2° | 0.0° |
| C08 | C09 | C13 | N01 | 180.0° | 179.7° |
| C08 | C09 | N01 | C10 | 0.1° | 0.0° |
| C09 | C08 | C12 | H6 | 179.7° | 180.0° |
| C08 | C09 | C13 | H7 | 179.8° | 180.0° |
| C09 | C08 | C16 | H10 | 180.0° | 179.9° |
| C11 | C10 | N01 | C09 | 0.2° | 0.2° |
| C11 | C10 | C02 | N01 | 178.1° | 179.8° |
| C11 | C10 | C02 | C01 | 124.1° | 177.0° |
| C10 | C11 | C12 | H6 | 179.5° | 179.8° |
| C14 | C13 | C09 | H7 | 180.0° | 180.0° |
| C14 | C13 | C09 | N01 | 179.8° | 179.7° |
| C13 | C14 | C15 | H9 | 179.6° | 179.9° |
| C13 | C09 | N01 | C10 | 179.9° | 179.8° |
| C09 | C13 | C14 | H8 | 179.6° | 180.0° |
| C09 | N01 | C10 | C02 | 178.1° | 180.0° |
| N01 | C09 | C13 | H7 | 0.2° | 0.2° |
| C10 | C02 | C01 | C07 | 152.4° | 7.8° |
| C10 | C02 | C01 | C03 | 29.6° | 172.4° |
| C02 | C10 | C11 | H1 | 1.6° | 0.0° |
| N01 | C10 | C02 | C01 | 57.8° | 2.8° |
| N01 | C10 | C11 | H1 | 179.5° | 179.8° |
| C02 | C01 | C07 | C03 | 177.9° | 179.8° |
| C02 | C01 | C07 | C06 | 179.4° | 179.7° |
| C02 | C01 | C03 | C04 | 178.8° | 180.0° |
| C02 | C01 | C03 | H2 | 1.1° | 0.0° |
| C02 | C01 | C07 | H5 | 0.5° | 0.3° |
| C01 | C07 | C06 | H5 | 180.0° | 179.5° |
| C01 | C07 | C06 | O02 | 179.2° | 179.8° |
| C01 | C07 | C06 | C05 | 1.1° | 0.5° |
| C07 | C01 | C03 | C04 | 0.9° | 0.2° |
| C07 | C01 | C03 | H2 | 179.1° | 179.7° |
| C06 | C07 | C01 | C03 | 1.5° | 0.5° |
| C07 | C06 | O02 | C05 | 179.7° | 179.7° |
| C07 | C06 | C05 | C04 | 0.1° | 0.3° |
| C07 | C06 | C05 | F01 | 178.8° | 179.8° |
| C07 | C06 | O02 | H4 | 180.0° | 89.8° |
| C01 | C03 | C04 | H2 | 180.0° | 179.9° |
| C01 | C03 | C04 | C05 | 0.1° | 0.1° |
| C01 | C03 | C04 | H3 | 179.9° | 180.0° |
| C03 | C01 | C07 | H5 | 178.5° | 180.0° |
| O02 | C06 | C05 | C04 | 179.8° | 180.0° |
| O02 | C06 | C05 | F01 | 0.9° | 0.1° |
| O02 | C06 | C07 | H5 | 0.8° | 0.3° |
| C06 | C05 | C04 | C03 | 0.6° | 0.1° |
| C06 | C05 | C04 | F01 | 178.9° | 180.0° |
| C06 | C05 | C04 | H3 | 179.5° | 180.0° |
| C05 | C06 | O02 | H4 | 0.3° | 89.9° |
| C05 | C06 | C07 | H5 | 178.9° | 180.0° |
| C03 | C04 | C05 | H3 | 180.0° | 179.9° |
| C03 | C04 | C05 | F01 | 179.5° | 179.9° |
| C05 | C04 | C03 | H2 | 179.9° | 180.0° |
| F01 | C05 | C04 | H3 | 0.5° | 0.0° |
| H1 | C11 | C12 | H6 | 0.5° | 0.2° |
| H2 | C03 | C04 | H3 | 0.1° | 0.1° |
| H7 | C13 | C14 | H8 | 0.4° | 0.0° |
| H8 | C14 | C15 | H9 | 0.4° | 0.0° |
| H9 | C15 | C16 | H10 | 0.2° | 0.4° |
