ENY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.44Å | |
| C04 | C05 | doub | 1.36Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.43Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.44Å | Aromatic |
| O02 | C03 | sing | 1.36Å | 1.39Å | |
| C03 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C19 | doub | 1.40Å | 1.45Å | Aromatic |
| C06 | C07 | sing | 1.42Å | 1.42Å | Aromatic |
| O18 | C11 | doub | 1.22Å | 1.24Å | |
| C19 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C07 | sing | 1.40Å | 1.43Å | Aromatic |
| C07 | C08 | doub | 1.41Å | 1.43Å | Aromatic |
| O14 | C13 | sing | 1.35Å | 1.38Å | |
| C10 | C11 | sing | 1.48Å | 1.53Å | |
| C10 | C09 | doub | 1.41Å | 1.44Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.50Å | |
| C08 | C09 | sing | 1.36Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.35Å | 1.37Å | |
| C13 | C15 | sing | 1.48Å | 1.50Å | |
| O17 | C15 | doub | 1.21Å | 1.22Å | |
| C15 | O16 | sing | 1.35Å | 1.37Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| O14 | H13 | sing | 0.97Å | 0.95Å | |
| O16 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 119.6° | 117.0° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| O02 | C01 | H4 | 109.5° | 109.5° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| C05 | C04 | C03 | 120.9° | 120.9° |
| C04 | C05 | C06 | 121.7° | 119.9° |
| C05 | C04 | H6 | 119.5° | 119.5° |
| C04 | C05 | H7 | 119.1° | 120.1° |
| C04 | C03 | O02 | 120.7° | 119.6° |
| C04 | C03 | C20 | 118.3° | 120.7° |
| C03 | C04 | H6 | 119.5° | 119.6° |
| C05 | C06 | C19 | 124.8° | 121.0° |
| C05 | C06 | C07 | 116.9° | 119.6° |
| C06 | C05 | H7 | 119.2° | 120.1° |
| O02 | C03 | C20 | 121.0° | 119.7° |
| C03 | C20 | C07 | 121.8° | 119.7° |
| C03 | C20 | H2 | 119.1° | 120.1° |
| C19 | C06 | C07 | 118.2° | 119.4° |
| C06 | C19 | C10 | 122.8° | 119.5° |
| C06 | C19 | H12 | 118.6° | 120.3° |
| C06 | C07 | C20 | 120.4° | 119.3° |
| C06 | C07 | C08 | 118.1° | 119.7° |
| O18 | C11 | C10 | 114.1° | 120.0° |
| O18 | C11 | C12 | 115.0° | 120.0° |
| C19 | C10 | C11 | 121.4° | 119.7° |
| C19 | C10 | C09 | 118.2° | 120.5° |
| C10 | C19 | H12 | 118.6° | 120.3° |
| C20 | C07 | C08 | 121.5° | 121.0° |
| C07 | C20 | H2 | 119.1° | 120.2° |
| C07 | C08 | C09 | 123.1° | 120.1° |
| C07 | C08 | H8 | 118.5° | 119.9° |
| O14 | C13 | C12 | 121.9° | 120.0° |
| O14 | C13 | C15 | 108.1° | 120.0° |
| C13 | O14 | H13 | 109.5° | 114.0° |
| C11 | C10 | C09 | 120.2° | 119.8° |
| C10 | C11 | C12 | 130.9° | 120.0° |
| C10 | C09 | C08 | 119.5° | 120.8° |
| C10 | C09 | H9 | 120.2° | 119.5° |
| C11 | C12 | C13 | 120.9° | 120.0° |
| C11 | C12 | H10 | 119.6° | 120.0° |
| C09 | C08 | H8 | 118.4° | 120.0° |
| C08 | C09 | H9 | 120.2° | 119.7° |
| C12 | C13 | C15 | 123.1° | 120.0° |
| C13 | C12 | H10 | 119.5° | 120.0° |
| C13 | C15 | O17 | 123.9° | 120.0° |
| C13 | C15 | O16 | 114.4° | 120.0° |
| O17 | C15 | O16 | 114.8° | 120.0° |
| C15 | O16 | H14 | 109.5° | 117.0° |
| H3 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 3.3° | 0.0° |
| C01 | O02 | C03 | C20 | 176.1° | 180.0° |
| O02 | C01 | H3 | H4 | 120.0° | 120.0° |
| O02 | C01 | H3 | H5 | 120.0° | 120.0° |
| O02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C05 | C04 | C03 | H6 | 180.0° | 180.0° |
| C04 | C05 | C06 | H7 | 180.0° | 179.9° |
| C05 | C04 | C03 | O02 | 179.9° | 180.0° |
| C05 | C04 | C03 | C20 | 0.5° | 0.0° |
| C04 | C05 | C06 | C19 | 179.7° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C03 | C04 | C05 | C06 | 0.8° | 0.0° |
| C04 | C03 | O02 | C20 | 179.4° | 180.0° |
| C04 | C03 | C20 | C07 | 0.4° | 0.0° |
| C04 | C03 | C20 | H2 | 179.6° | 180.0° |
| C03 | C04 | C05 | H7 | 179.2° | 179.9° |
| C05 | C06 | C19 | C07 | 179.8° | 180.0° |
| C05 | C06 | C19 | C10 | 179.0° | 180.0° |
| C05 | C06 | C07 | C20 | 0.8° | 0.0° |
| C05 | C06 | C07 | C08 | 179.9° | 179.7° |
| C06 | C05 | C04 | H6 | 179.2° | 180.0° |
| C05 | C06 | C19 | H12 | 1.0° | 0.0° |
| O02 | C03 | C20 | C07 | 179.0° | 180.0° |
| O02 | C03 | C20 | H2 | 1.0° | 0.0° |
| C03 | O02 | C01 | H3 | 180.0° | 60.0° |
| C03 | O02 | C01 | H4 | 60.0° | 180.0° |
| C03 | O02 | C01 | H5 | 60.0° | 60.0° |
| O02 | C03 | C04 | H6 | 0.1° | 0.0° |
| C03 | C20 | C07 | C06 | 1.1° | 0.0° |
| C03 | C20 | C07 | H2 | 180.0° | 180.0° |
| C03 | C20 | C07 | C08 | 179.9° | 179.7° |
| C20 | C03 | C04 | H6 | 179.5° | 180.0° |
| C06 | C19 | C10 | H12 | 180.0° | 180.0° |
| C19 | C06 | C07 | C20 | 179.4° | 180.0° |
| C19 | C06 | C07 | C08 | 0.3° | 0.3° |
| C06 | C19 | C10 | C11 | 178.5° | 180.0° |
| C06 | C19 | C10 | C09 | 1.6° | 0.2° |
| C19 | C06 | C05 | H7 | 0.3° | 0.1° |
| C07 | C06 | C19 | C10 | 1.2° | 0.0° |
| C06 | C07 | C20 | C08 | 179.0° | 179.7° |
| C06 | C07 | C08 | C09 | 0.0° | 0.4° |
| C06 | C07 | C20 | H2 | 178.9° | 180.0° |
| C07 | C06 | C05 | H7 | 179.9° | 179.9° |
| C06 | C07 | C08 | H8 | 180.0° | 179.8° |
| C07 | C06 | C19 | H12 | 178.8° | 180.0° |
| O18 | C11 | C10 | C19 | 24.7° | 0.2° |
| O18 | C11 | C10 | C12 | 179.7° | 180.0° |
| O18 | C11 | C10 | C09 | 152.2° | 180.0° |
| O18 | C11 | C12 | C13 | 8.2° | 0.0° |
| O18 | C11 | C12 | H10 | 171.8° | 179.9° |
| C19 | C10 | C11 | C09 | 176.9° | 179.8° |
| C19 | C10 | C11 | C12 | 155.0° | 179.8° |
| C19 | C10 | C09 | C08 | 1.2° | 0.1° |
| C19 | C10 | C09 | H9 | 178.8° | 179.8° |
| C20 | C07 | C08 | C09 | 179.0° | 180.0° |
| C20 | C07 | C08 | H8 | 1.0° | 0.1° |
| C07 | C08 | C09 | C10 | 0.4° | 0.1° |
| C07 | C08 | C09 | H8 | 180.0° | 179.9° |
| C08 | C07 | C20 | H2 | 0.1° | 0.3° |
| C07 | C08 | C09 | H9 | 179.6° | 179.9° |
| O14 | C13 | C12 | C11 | 2.7° | 0.1° |
| O14 | C13 | C12 | C15 | 147.5° | 179.9° |
| O14 | C13 | C15 | O17 | 37.5° | 180.0° |
| O14 | C13 | C15 | O16 | 173.4° | 0.1° |
| O14 | C13 | C12 | H10 | 177.2° | 180.0° |
| C11 | C10 | C09 | C08 | 178.2° | 180.0° |
| C10 | C11 | C12 | C13 | 171.5° | 180.0° |
| C11 | C10 | C09 | H9 | 1.8° | 0.0° |
| C10 | C11 | C12 | H10 | 8.5° | 0.0° |
| C11 | C10 | C19 | H12 | 1.5° | 0.0° |
| C09 | C10 | C11 | C12 | 28.2° | 0.0° |
| C10 | C09 | C08 | H9 | 180.0° | 179.9° |
| C10 | C09 | C08 | H8 | 179.6° | 180.0° |
| C09 | C10 | C19 | H12 | 178.4° | 179.8° |
| C11 | C12 | C13 | H10 | 180.0° | 179.9° |
| C11 | C12 | C13 | C15 | 150.2° | 180.0° |
| C12 | C13 | C15 | O17 | 113.9° | 0.1° |
| C12 | C13 | C15 | O16 | 35.3° | 180.0° |
| C12 | C13 | O14 | H13 | 1.2° | 180.0° |
| C13 | C15 | O17 | O16 | 149.0° | 179.9° |
| C15 | C13 | C12 | H10 | 29.7° | 0.1° |
| C15 | C13 | O14 | H13 | 150.6° | 0.1° |
| C13 | C15 | O16 | H14 | 152.0° | 180.0° |
| O17 | C15 | O16 | H14 | 0.0° | 0.1° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C04 | C05 | H7 | 0.8° | 0.1° |
| H8 | C08 | C09 | H9 | 0.4° | 0.0° |
