EQL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C12 | doub | 1.22Å | 1.22Å | |
| N1 | C12 | sing | 1.35Å | 1.37Å | |
| N1 | C11 | sing | 1.35Å | 1.37Å | |
| C12 | C7 | sing | 1.47Å | 1.47Å | |
| O1 | C11 | doub | 1.22Å | 1.22Å | |
| C11 | C4 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.43Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C10 | sing | 1.41Å | 1.44Å | Aromatic |
| C6 | C1 | doub | 1.41Å | 1.44Å | Aromatic |
| C10 | C14 | sing | 1.48Å | 1.51Å | |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C13 | sing | 1.48Å | 1.51Å | |
| C14 | O6 | doub | 1.22Å | 1.24Å | |
| C14 | O4 | sing | 1.35Å | 1.24Å | |
| C13 | O3 | doub | 1.21Å | 1.25Å | |
| C13 | O5 | sing | 1.35Å | 1.24Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| O4 | H6 | sing | 0.97Å | 0.95Å | |
| O5 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C12 | N1 | 119.3° | 119.8° |
| O2 | C12 | C7 | 121.4° | 119.8° |
| C12 | N1 | C11 | 122.3° | 122.4° |
| N1 | C12 | C7 | 119.4° | 120.4° |
| C12 | N1 | H3 | 118.8° | 118.8° |
| N1 | C11 | O1 | 119.3° | 119.8° |
| N1 | C11 | C4 | 119.4° | 120.4° |
| C11 | N1 | H3 | 118.9° | 118.8° |
| C12 | C7 | C8 | 119.7° | 121.8° |
| C12 | C7 | C5 | 119.9° | 118.8° |
| O1 | C11 | C4 | 121.4° | 119.8° |
| C11 | C4 | C5 | 119.9° | 118.8° |
| C11 | C4 | C3 | 119.7° | 121.9° |
| C8 | C7 | C5 | 120.4° | 119.4° |
| C7 | C8 | C9 | 120.2° | 120.4° |
| C7 | C8 | H1 | 119.9° | 119.8° |
| C7 | C5 | C4 | 119.2° | 119.3° |
| C7 | C5 | C6 | 120.4° | 120.4° |
| C8 | C9 | C10 | 121.3° | 121.2° |
| C9 | C8 | H1 | 119.9° | 119.8° |
| C8 | C9 | H2 | 119.4° | 119.4° |
| C5 | C4 | C3 | 120.4° | 119.4° |
| C4 | C5 | C6 | 120.4° | 120.4° |
| C4 | C3 | C2 | 120.3° | 120.5° |
| C4 | C3 | H4 | 119.9° | 119.8° |
| C5 | C6 | C10 | 117.7° | 119.1° |
| C5 | C6 | C1 | 117.7° | 119.0° |
| C3 | C2 | C1 | 121.2° | 121.1° |
| C2 | C3 | H4 | 119.9° | 119.8° |
| C3 | C2 | H5 | 119.4° | 119.5° |
| C9 | C10 | C6 | 120.0° | 119.6° |
| C9 | C10 | C14 | 113.7° | 120.2° |
| C10 | C9 | H2 | 119.4° | 119.4° |
| C10 | C6 | C1 | 124.6° | 121.9° |
| C6 | C10 | C14 | 126.3° | 120.2° |
| C6 | C1 | C2 | 120.1° | 119.6° |
| C6 | C1 | C13 | 126.1° | 120.1° |
| C10 | C14 | O6 | 117.4° | 120.0° |
| C10 | C14 | O4 | 117.8° | 120.0° |
| C2 | C1 | C13 | 113.8° | 120.2° |
| C1 | C2 | H5 | 119.4° | 119.4° |
| C1 | C13 | O3 | 117.7° | 120.0° |
| C1 | C13 | O5 | 117.5° | 119.9° |
| O6 | C14 | O4 | 124.8° | 120.0° |
| C14 | O4 | H6 | 109.5° | 117.0° |
| O3 | C13 | O5 | 124.8° | 120.0° |
| C13 | O5 | H7 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C12 | N1 | C7 | 180.0° | 179.4° |
| O2 | C12 | N1 | C11 | 179.5° | 179.8° |
| O2 | C12 | C7 | C8 | 0.2° | 0.1° |
| O2 | C12 | C7 | C5 | 179.5° | 180.0° |
| O2 | C12 | N1 | H3 | 0.5° | 0.6° |
| C12 | N1 | C11 | H3 | 180.0° | 179.2° |
| C12 | N1 | C11 | O1 | 179.9° | 179.4° |
| C12 | N1 | C11 | C4 | 0.2° | 0.5° |
| N1 | C12 | C7 | C8 | 179.8° | 179.5° |
| N1 | C12 | C7 | C5 | 0.5° | 0.6° |
| C11 | N1 | C12 | C7 | 0.5° | 0.9° |
| N1 | C11 | O1 | C4 | 180.0° | 179.9° |
| N1 | C11 | C4 | C5 | 0.2° | 0.0° |
| N1 | C11 | C4 | C3 | 179.9° | 179.8° |
| C12 | C7 | C8 | C5 | 179.7° | 179.9° |
| C12 | C7 | C8 | C9 | 179.6° | 180.0° |
| C12 | C7 | C5 | C4 | 0.1° | 0.1° |
| C12 | C7 | C5 | C6 | 179.8° | 180.0° |
| C12 | C7 | C8 | H1 | 0.4° | 0.0° |
| C7 | C12 | N1 | H3 | 179.5° | 180.0° |
| O1 | C11 | C4 | C5 | 179.8° | 179.9° |
| O1 | C11 | C4 | C3 | 0.0° | 0.3° |
| O1 | C11 | N1 | H3 | 0.1° | 0.2° |
| C11 | C4 | C5 | C7 | 0.2° | 0.2° |
| C11 | C4 | C5 | C3 | 179.8° | 179.8° |
| C11 | C4 | C5 | C6 | 179.8° | 179.7° |
| C11 | C4 | C3 | C2 | 179.6° | 179.7° |
| C4 | C11 | N1 | H3 | 179.8° | 179.7° |
| C11 | C4 | C3 | H4 | 0.4° | 0.2° |
| C7 | C8 | C9 | H1 | 180.0° | 180.0° |
| C8 | C7 | C5 | C4 | 179.8° | 180.0° |
| C8 | C7 | C5 | C6 | 0.1° | 0.0° |
| C7 | C8 | C9 | C10 | 0.7° | 0.2° |
| C7 | C8 | C9 | H2 | 179.3° | 179.9° |
| C5 | C7 | C8 | C9 | 0.1° | 0.1° |
| C7 | C5 | C4 | C6 | 179.9° | 180.0° |
| C7 | C5 | C4 | C3 | 180.0° | 180.0° |
| C7 | C5 | C6 | C10 | 0.2° | 0.1° |
| C7 | C5 | C6 | C1 | 179.8° | 180.0° |
| C5 | C7 | C8 | H1 | 179.9° | 180.0° |
| C8 | C9 | C10 | H2 | 180.0° | 179.8° |
| C8 | C9 | C10 | C6 | 1.0° | 0.2° |
| C8 | C9 | C10 | C14 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | C10 | 179.9° | 180.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.0° |
| C5 | C4 | C3 | H4 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.7° | 0.1° |
| C4 | C3 | C2 | H5 | 179.3° | 180.0° |
| C5 | C6 | C10 | C9 | 0.7° | 0.2° |
| C5 | C6 | C10 | C1 | 180.0° | 180.0° |
| C5 | C6 | C10 | C14 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.7° | 0.1° |
| C5 | C6 | C1 | C13 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.9° | 0.1° |
| C3 | C2 | C1 | H5 | 180.0° | 179.9° |
| C3 | C2 | C1 | C13 | 179.7° | 179.9° |
| C9 | C10 | C6 | C14 | 179.2° | 179.8° |
| C9 | C10 | C6 | C1 | 179.2° | 179.9° |
| C9 | C10 | C14 | O6 | 58.7° | 113.5° |
| C9 | C10 | C14 | O4 | 120.9° | 66.5° |
| C10 | C9 | C8 | H1 | 179.3° | 179.9° |
| C10 | C6 | C1 | C2 | 179.4° | 180.0° |
| C10 | C6 | C1 | C13 | 0.0° | 0.0° |
| C6 | C10 | C14 | O6 | 120.6° | 66.3° |
| C6 | C10 | C14 | O4 | 59.8° | 113.7° |
| C6 | C10 | C9 | H2 | 179.0° | 180.0° |
| C1 | C6 | C10 | C14 | 0.0° | 0.1° |
| C6 | C1 | C2 | C13 | 179.4° | 180.0° |
| C6 | C1 | C13 | O3 | 63.3° | 66.4° |
| C6 | C1 | C13 | O5 | 116.4° | 113.6° |
| C6 | C1 | C2 | H5 | 179.1° | 180.0° |
| C10 | C14 | O6 | O4 | 179.6° | 180.0° |
| C14 | C10 | C9 | H2 | 0.3° | 0.2° |
| C10 | C14 | O4 | H6 | 179.6° | 180.0° |
| C2 | C1 | C13 | O3 | 117.3° | 113.6° |
| C2 | C1 | C13 | O5 | 63.0° | 66.4° |
| C1 | C2 | C3 | H4 | 179.4° | 180.0° |
| C1 | C13 | O3 | O5 | 179.7° | 180.0° |
| C13 | C1 | C2 | H5 | 0.3° | 0.0° |
| C1 | C13 | O5 | H7 | 179.7° | 180.0° |
| O6 | C14 | O4 | H6 | 0.0° | 0.0° |
| O3 | C13 | O5 | H7 | 0.0° | 0.1° |
| H1 | C8 | C9 | H2 | 0.6° | 0.1° |
| H4 | C3 | C2 | H5 | 0.7° | 0.1° |
