EY7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.36Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.41Å | 1.42Å | Aromatic |
| C6 | C11 | sing | 1.42Å | 1.42Å | Aromatic |
| C6 | N | sing | 1.34Å | 1.37Å | Aromatic |
| C11 | N1 | sing | 1.34Å | 1.37Å | Aromatic |
| N | C2 | doub | 1.31Å | 1.31Å | Aromatic |
| N1 | C1 | doub | 1.32Å | 1.30Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.48Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| O2 | C5 | doub | 1.21Å | 1.19Å | |
| C1 | O | sing | 1.36Å | 1.35Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C5 | O1 | sing | 1.34Å | 1.34Å | |
| O | C | sing | 1.43Å | 1.44Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 120.6° | 120.9° |
| C8 | C9 | C10 | 120.8° | 120.9° |
| C9 | C8 | H5 | 119.7° | 119.5° |
| C8 | C9 | H6 | 119.6° | 119.5° |
| C8 | C7 | C6 | 120.3° | 119.8° |
| C8 | C7 | H4 | 119.9° | 120.1° |
| C7 | C8 | H5 | 119.7° | 119.6° |
| C9 | C10 | C11 | 120.1° | 119.8° |
| C10 | C9 | H6 | 119.6° | 119.5° |
| C9 | C10 | H9 | 120.0° | 120.1° |
| C7 | C6 | C11 | 119.3° | 119.3° |
| C7 | C6 | N | 119.4° | 121.0° |
| C6 | C7 | H4 | 119.9° | 120.1° |
| C10 | C11 | C6 | 118.9° | 119.3° |
| C10 | C11 | N1 | 119.8° | 121.0° |
| C11 | C10 | H9 | 119.9° | 120.1° |
| C11 | C6 | N | 121.3° | 119.7° |
| C6 | C11 | N1 | 121.3° | 119.7° |
| C6 | N | C2 | 118.1° | 119.8° |
| C11 | N1 | C1 | 116.1° | 119.7° |
| N | C2 | C1 | 119.3° | 120.6° |
| N | C2 | C3 | 118.8° | 119.7° |
| N1 | C1 | C2 | 123.8° | 120.6° |
| N1 | C1 | O | 124.2° | 119.8° |
| C1 | C2 | C3 | 121.9° | 119.7° |
| C2 | C1 | O | 112.0° | 119.7° |
| C2 | C3 | C4 | 115.8° | 109.4° |
| C2 | C3 | H2 | 107.9° | 109.5° |
| C2 | C3 | H3 | 107.9° | 109.5° |
| O2 | C5 | C4 | 120.1° | 120.0° |
| O2 | C5 | O1 | 125.3° | 120.0° |
| C1 | O | C | 117.4° | 117.0° |
| C5 | C4 | C3 | 115.8° | 109.5° |
| C4 | C5 | O1 | 114.7° | 120.0° |
| C5 | C4 | H7 | 107.8° | 109.4° |
| C5 | C4 | H8 | 107.9° | 109.4° |
| C4 | C3 | H2 | 107.9° | 109.5° |
| C4 | C3 | H3 | 107.9° | 109.5° |
| C3 | C4 | H7 | 107.9° | 109.5° |
| C3 | C4 | H8 | 107.8° | 109.5° |
| C5 | O1 | H1 | 109.5° | 117.0° |
| O | C | H10 | 109.5° | 109.5° |
| O | C | H11 | 109.4° | 109.5° |
| O | C | H12 | 109.5° | 109.5° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| H10 | C | H11 | 109.5° | 109.4° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C8 | C9 | C10 | H6 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.9° | 0.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.3° |
| C9 | C8 | C7 | H4 | 179.1° | 179.8° |
| C8 | C9 | C10 | H9 | 179.9° | 179.9° |
| C7 | C8 | C9 | C10 | 0.8° | 0.0° |
| C8 | C7 | C6 | H4 | 180.0° | 179.8° |
| C8 | C7 | C6 | C11 | 0.3° | 0.3° |
| C8 | C7 | C6 | N | 179.7° | 179.8° |
| C7 | C8 | C9 | H6 | 179.2° | 180.0° |
| C9 | C10 | C11 | H9 | 180.0° | 179.8° |
| C9 | C10 | C11 | C6 | 0.6° | 0.5° |
| C9 | C10 | C11 | N1 | 179.1° | 180.0° |
| C10 | C9 | C8 | H5 | 179.2° | 179.9° |
| C7 | C6 | C11 | C10 | 0.4° | 0.5° |
| C7 | C6 | C11 | N | 180.0° | 180.0° |
| C7 | C6 | C11 | N1 | 179.2° | 180.0° |
| C7 | C6 | N | C2 | 179.4° | 179.9° |
| C6 | C7 | C8 | H5 | 179.1° | 179.9° |
| C10 | C11 | C6 | N1 | 179.6° | 179.5° |
| C10 | C11 | C6 | N | 179.6° | 179.5° |
| C10 | C11 | N1 | C1 | 179.6° | 179.5° |
| C11 | C10 | C9 | H6 | 179.9° | 179.7° |
| C11 | C6 | N | C2 | 0.7° | 0.1° |
| C6 | C11 | N1 | C1 | 0.8° | 0.0° |
| C11 | C6 | C7 | H4 | 179.7° | 180.0° |
| C6 | C11 | C10 | H9 | 179.5° | 179.7° |
| N | C6 | C11 | N1 | 0.7° | 0.0° |
| C6 | N | C2 | C1 | 1.8° | 0.1° |
| C6 | N | C2 | C3 | 179.3° | 180.0° |
| N | C6 | C7 | H4 | 0.3° | 0.0° |
| C11 | N1 | C1 | C2 | 0.5° | 0.0° |
| C11 | N1 | C1 | O | 177.6° | 180.0° |
| N1 | C11 | C10 | H9 | 0.9° | 0.2° |
| N | C2 | C1 | N1 | 1.9° | 0.1° |
| N | C2 | C1 | C3 | 178.8° | 179.9° |
| N | C2 | C1 | O | 176.4° | 180.0° |
| N | C2 | C3 | C4 | 2.8° | 90.0° |
| N | C2 | C3 | H2 | 123.7° | 150.0° |
| N | C2 | C3 | H3 | 118.1° | 29.9° |
| N1 | C1 | C2 | O | 178.2° | 179.9° |
| N1 | C1 | C2 | C3 | 179.3° | 180.0° |
| N1 | C1 | O | C | 11.7° | 0.0° |
| C1 | C2 | C3 | C4 | 178.3° | 90.0° |
| C2 | C1 | O | C | 170.1° | 180.0° |
| C1 | C2 | C3 | H2 | 57.4° | 30.0° |
| C1 | C2 | C3 | H3 | 60.7° | 150.0° |
| C3 | C2 | C1 | O | 2.4° | 0.1° |
| C2 | C3 | C4 | C5 | 59.5° | 180.0° |
| C2 | C3 | C4 | H2 | 120.9° | 120.0° |
| C2 | C3 | C4 | H3 | 120.9° | 120.0° |
| C2 | C3 | H2 | H3 | 117.1° | 120.0° |
| C2 | C3 | C4 | H7 | 61.4° | 60.0° |
| C2 | C3 | C4 | H8 | 179.6° | 60.0° |
| O2 | C5 | C4 | O1 | 179.5° | 179.9° |
| O2 | C5 | C4 | C3 | 143.8° | 0.1° |
| O2 | C5 | O1 | H1 | 0.0° | 0.1° |
| O2 | C5 | C4 | H7 | 22.9° | 120.1° |
| O2 | C5 | C4 | H8 | 95.3° | 120.0° |
| C1 | O | C | H10 | 180.0° | 180.0° |
| C1 | O | C | H11 | 60.0° | 60.0° |
| C1 | O | C | H12 | 60.0° | 60.0° |
| C5 | C4 | C3 | H7 | 120.9° | 120.0° |
| C5 | C4 | C3 | H8 | 120.9° | 120.0° |
| C4 | C5 | O1 | H1 | 179.4° | 180.0° |
| C5 | C4 | C3 | H2 | 61.4° | 60.0° |
| C5 | C4 | C3 | H3 | 179.6° | 60.0° |
| C5 | C4 | H7 | H8 | 117.1° | 119.9° |
| C3 | C4 | C5 | O1 | 36.7° | 180.0° |
| C4 | C3 | H2 | H3 | 117.2° | 120.0° |
| C3 | C4 | H7 | H8 | 117.1° | 120.1° |
| O1 | C5 | C4 | H7 | 157.6° | 60.0° |
| O1 | C5 | C4 | H8 | 84.2° | 59.9° |
| O | C | H10 | H11 | 120.0° | 120.0° |
| O | C | H10 | H12 | 120.0° | 120.1° |
| O | C | H11 | H12 | 120.0° | 120.1° |
| H2 | C3 | C4 | H7 | 177.7° | 60.0° |
| H2 | C3 | C4 | H8 | 59.5° | 180.0° |
| H3 | C3 | C4 | H7 | 59.5° | 180.0° |
| H3 | C3 | C4 | H8 | 58.7° | 60.0° |
| H4 | C7 | C8 | H5 | 0.9° | 0.3° |
| H5 | C8 | C9 | H6 | 0.8° | 0.1° |
| H6 | C9 | C10 | H9 | 0.1° | 0.1° |
| H10 | C | H11 | H12 | 120.0° | 119.9° |
