EY9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | O02 | sing | 1.43Å | 1.40Å | |
| C04 | O05 | sing | 1.43Å | 1.40Å | |
| O05 | C06 | sing | 1.36Å | 1.40Å | |
| O02 | C01 | sing | 1.43Å | 1.39Å | |
| C06 | C11 | doub | 1.38Å | 1.50Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.49Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.57Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.50Å | Aromatic |
| C10 | C12 | sing | 1.47Å | 1.34Å | Aromatic |
| C10 | C09 | doub | 1.41Å | 1.35Å | Aromatic |
| C12 | C13 | doub | 1.34Å | 1.35Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.56Å | Aromatic |
| C09 | N14 | sing | 1.38Å | 1.34Å | Aromatic |
| C13 | N14 | sing | 1.37Å | 1.34Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N14 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | O02 | 110.2° | 109.5° |
| C03 | C04 | O05 | 111.5° | 109.5° |
| C04 | C03 | H5 | 109.3° | 109.5° |
| C04 | C03 | H6 | 109.3° | 109.4° |
| C03 | C04 | H7 | 109.0° | 109.5° |
| C03 | C04 | H8 | 109.0° | 109.5° |
| C03 | O02 | C01 | 115.2° | 114.0° |
| O02 | C03 | H5 | 109.3° | 109.5° |
| O02 | C03 | H6 | 109.3° | 109.5° |
| C04 | O05 | C06 | 116.0° | 117.0° |
| O05 | C04 | H7 | 109.0° | 109.5° |
| O05 | C04 | H8 | 109.0° | 109.5° |
| O05 | C06 | C11 | 119.8° | 119.8° |
| O05 | C06 | C07 | 120.4° | 119.9° |
| O02 | C01 | H2 | 109.5° | 109.4° |
| O02 | C01 | H3 | 109.5° | 109.4° |
| O02 | C01 | H4 | 109.4° | 109.5° |
| C11 | C06 | C07 | 119.8° | 120.3° |
| C06 | C11 | C10 | 119.7° | 119.6° |
| C06 | C11 | H11 | 120.1° | 120.2° |
| C06 | C07 | C08 | 118.4° | 120.6° |
| C06 | C07 | H9 | 120.8° | 119.7° |
| C11 | C10 | C12 | 131.7° | 133.9° |
| C11 | C10 | C09 | 120.9° | 120.0° |
| C10 | C11 | H11 | 120.1° | 120.2° |
| C07 | C08 | C09 | 120.8° | 120.0° |
| C08 | C07 | H9 | 120.8° | 119.7° |
| C07 | C08 | H10 | 119.6° | 120.0° |
| C12 | C10 | C09 | 107.4° | 106.0° |
| C10 | C12 | C13 | 108.9° | 107.1° |
| C10 | C12 | H12 | 125.5° | 126.5° |
| C10 | C09 | C08 | 120.4° | 119.5° |
| C10 | C09 | N14 | 108.0° | 107.1° |
| C12 | C13 | N14 | 107.1° | 109.9° |
| C12 | C13 | H1 | 126.5° | 125.0° |
| C13 | C12 | H12 | 125.5° | 126.5° |
| C08 | C09 | N14 | 131.6° | 133.4° |
| C09 | C08 | H10 | 119.6° | 120.0° |
| C09 | N14 | C13 | 108.5° | 109.9° |
| C09 | N14 | H13 | 125.7° | 125.1° |
| N14 | C13 | H1 | 126.4° | 125.0° |
| C13 | N14 | H13 | 125.8° | 125.1° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | O02 | H5 | 120.1° | 120.0° |
| C04 | C03 | O02 | H6 | 120.1° | 120.0° |
| C03 | C04 | O05 | H7 | 120.3° | 120.0° |
| C03 | C04 | O05 | H8 | 120.3° | 120.0° |
| C03 | C04 | O05 | C06 | 104.0° | 180.0° |
| C04 | C03 | O02 | C01 | 149.6° | 180.0° |
| C04 | C03 | H5 | H6 | 119.7° | 119.9° |
| C03 | C04 | H7 | H8 | 119.1° | 120.0° |
| O02 | C03 | C04 | O05 | 136.7° | 65.0° |
| C03 | O02 | C01 | H2 | 180.0° | 179.9° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| C03 | O02 | C01 | H4 | 60.0° | 60.0° |
| O02 | C03 | H5 | H6 | 119.7° | 120.0° |
| O02 | C03 | C04 | H7 | 16.3° | 175.1° |
| O02 | C03 | C04 | H8 | 103.1° | 55.0° |
| C04 | O05 | C06 | C11 | 166.9° | 180.0° |
| C04 | O05 | C06 | C07 | 14.0° | 0.0° |
| O05 | C04 | C03 | H5 | 16.6° | 175.0° |
| O05 | C04 | C03 | H6 | 103.3° | 55.0° |
| O05 | C04 | H7 | H8 | 119.1° | 120.0° |
| O05 | C06 | C11 | C07 | 179.0° | 180.0° |
| O05 | C06 | C11 | C10 | 179.9° | 180.0° |
| O05 | C06 | C07 | C08 | 179.4° | 179.6° |
| C06 | O05 | C04 | H7 | 16.3° | 60.1° |
| C06 | O05 | C04 | H8 | 135.7° | 60.0° |
| O05 | C06 | C07 | H9 | 0.6° | 0.0° |
| O05 | C06 | C11 | H11 | 0.1° | 0.0° |
| O02 | C01 | H2 | H3 | 120.0° | 119.9° |
| O02 | C01 | H2 | H4 | 120.0° | 120.0° |
| O02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | O02 | C03 | H5 | 29.5° | 60.0° |
| C01 | O02 | C03 | H6 | 90.3° | 60.0° |
| C06 | C11 | C10 | H11 | 180.0° | 180.0° |
| C11 | C06 | C07 | C08 | 0.4° | 0.5° |
| C06 | C11 | C10 | C12 | 178.4° | 180.0° |
| C06 | C11 | C10 | C09 | 1.5° | 0.3° |
| C11 | C06 | C07 | H9 | 179.7° | 179.9° |
| C07 | C06 | C11 | C10 | 1.1° | 0.1° |
| C06 | C07 | C08 | H9 | 180.0° | 179.6° |
| C06 | C07 | C08 | C09 | 0.1° | 0.5° |
| C06 | C07 | C08 | H10 | 179.8° | 180.0° |
| C07 | C06 | C11 | H11 | 178.9° | 180.0° |
| C11 | C10 | C12 | C09 | 179.8° | 179.8° |
| C11 | C10 | C12 | C13 | 179.6° | 179.7° |
| C11 | C10 | C09 | C08 | 1.0° | 0.2° |
| C11 | C10 | C09 | N14 | 180.0° | 179.7° |
| C11 | C10 | C12 | H12 | 0.4° | 0.1° |
| C07 | C08 | C09 | C10 | 0.2° | 0.2° |
| C07 | C08 | C09 | H10 | 180.0° | 179.5° |
| C07 | C08 | C09 | N14 | 178.9° | 179.9° |
| C10 | C12 | C13 | H12 | 180.0° | 179.8° |
| C12 | C10 | C09 | C08 | 178.9° | 180.0° |
| C12 | C10 | C09 | N14 | 0.1° | 0.1° |
| C10 | C12 | C13 | N14 | 0.8° | 0.1° |
| C10 | C12 | C13 | H1 | 179.2° | 180.0° |
| C12 | C10 | C11 | H11 | 1.7° | 0.1° |
| C09 | C10 | C12 | C13 | 0.6° | 0.1° |
| C10 | C09 | C08 | N14 | 178.7° | 179.9° |
| C10 | C09 | N14 | C13 | 0.4° | 0.0° |
| C10 | C09 | C08 | H10 | 179.8° | 179.7° |
| C09 | C10 | C11 | H11 | 178.5° | 179.7° |
| C09 | C10 | C12 | H12 | 179.4° | 179.9° |
| C10 | C09 | N14 | H13 | 179.6° | 180.0° |
| C12 | C13 | N14 | C09 | 0.7° | 0.0° |
| C12 | C13 | N14 | H1 | 180.0° | 179.9° |
| C12 | C13 | N14 | H13 | 179.3° | 180.0° |
| C08 | C09 | N14 | C13 | 179.2° | 180.0° |
| C09 | C08 | C07 | H9 | 179.8° | 179.9° |
| C08 | C09 | N14 | H13 | 0.8° | 0.0° |
| C09 | N14 | C13 | H13 | 180.0° | 180.0° |
| C09 | N14 | C13 | H1 | 179.3° | 179.9° |
| N14 | C09 | C08 | H10 | 1.1° | 0.4° |
| N14 | C13 | C12 | H12 | 179.2° | 179.9° |
| H1 | C13 | C12 | H12 | 0.8° | 0.2° |
| H1 | C13 | N14 | H13 | 0.7° | 0.1° |
| H2 | C01 | H3 | H4 | 120.0° | 120.1° |
| H5 | C03 | C04 | H7 | 103.7° | 55.0° |
| H5 | C03 | C04 | H8 | 136.9° | 65.1° |
| H6 | C03 | C04 | H7 | 136.4° | 65.0° |
| H6 | C03 | C04 | H8 | 17.0° | 175.0° |
| H9 | C07 | C08 | H10 | 0.2° | 0.4° |
