ZTA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.41Å | 1.43Å | Aromatic |
| C15 | C12 | doub | 1.36Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | C2 | sing | 1.48Å | 1.53Å | |
| C12 | O1 | sing | 1.35Å | 1.30Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | O1 | sing | 1.34Å | 1.30Å | Aromatic |
| C5 | C7 | doub | 1.41Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.36Å | Aromatic |
| C7 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.43Å | Aromatic |
| C6 | C10 | doub | 1.47Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.42Å | 1.53Å | |
| C9 | O2 | sing | 1.36Å | 1.40Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| O2 | H12 | sing | 0.97Å | 0.95Å | |
| C11 | O3 | doub | 1.21Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C12 | 104.7° | 106.8° |
| C15 | C14 | C13 | 105.5° | 107.0° |
| C14 | C15 | H5 | 127.7° | 126.6° |
| C15 | C14 | H10 | 127.3° | 126.5° |
| C15 | C12 | C2 | 125.3° | 125.9° |
| C15 | C12 | O1 | 109.2° | 108.1° |
| C12 | C15 | H5 | 127.6° | 126.6° |
| C14 | C13 | O1 | 108.7° | 108.7° |
| C14 | C13 | H4 | 125.7° | 125.6° |
| C13 | C14 | H10 | 127.2° | 126.5° |
| C4 | C3 | C2 | 120.2° | 120.8° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C3 | C4 | H1 | 120.0° | 120.0° |
| C4 | C3 | H11 | 119.9° | 119.6° |
| C3 | C2 | C12 | 119.8° | 119.8° |
| C3 | C2 | C1 | 120.0° | 120.4° |
| C2 | C3 | H11 | 119.9° | 119.6° |
| C4 | C5 | C7 | 120.0° | 120.9° |
| C4 | C5 | C6 | 119.9° | 119.6° |
| C5 | C4 | H1 | 120.0° | 120.0° |
| C2 | C12 | O1 | 125.5° | 126.0° |
| C12 | C2 | C1 | 120.2° | 119.8° |
| C12 | O1 | C13 | 111.9° | 109.4° |
| C2 | C1 | C6 | 119.9° | 119.4° |
| C2 | C1 | H6 | 120.0° | 120.3° |
| O1 | C13 | H4 | 125.7° | 125.7° |
| C7 | C5 | C6 | 120.1° | 119.5° |
| C5 | C7 | C8 | 120.0° | 121.0° |
| C5 | C7 | H2 | 120.0° | 119.5° |
| C5 | C6 | C1 | 120.1° | 119.8° |
| C5 | C6 | C10 | 119.9° | 118.9° |
| C7 | C8 | C9 | 119.9° | 121.8° |
| C8 | C7 | H2 | 120.0° | 119.5° |
| C7 | C8 | H3 | 120.0° | 119.1° |
| C1 | C6 | C10 | 120.0° | 121.3° |
| C6 | C1 | H6 | 120.0° | 120.3° |
| C6 | C10 | C9 | 120.1° | 118.5° |
| C6 | C10 | C11 | 119.8° | 120.7° |
| C8 | C9 | C10 | 120.1° | 120.3° |
| C8 | C9 | O2 | 120.0° | 119.8° |
| C9 | C8 | H3 | 120.0° | 119.1° |
| C9 | C10 | C11 | 120.1° | 120.8° |
| C10 | C9 | O2 | 119.9° | 119.8° |
| C10 | C11 | H7 | 120.7° | 120.0° |
| C10 | C11 | O3 | 118.5° | 120.0° |
| C9 | O2 | H12 | 109.5° | 114.0° |
| H7 | C11 | O3 | 120.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C12 | H5 | 180.0° | 179.8° |
| C15 | C14 | C13 | H10 | 180.0° | 179.9° |
| C14 | C15 | C12 | C2 | 179.9° | 180.0° |
| C14 | C15 | C12 | O1 | 0.1° | 0.4° |
| C15 | C14 | C13 | O1 | 0.1° | 0.0° |
| C15 | C14 | C13 | H4 | 179.8° | 179.7° |
| C12 | C15 | C14 | C13 | 0.2° | 0.2° |
| C15 | C12 | C2 | C3 | 13.4° | 0.2° |
| C15 | C12 | C2 | O1 | 179.8° | 179.5° |
| C15 | C12 | C2 | C1 | 166.5° | 180.0° |
| C15 | C12 | O1 | C13 | 0.0° | 0.4° |
| C12 | C15 | C14 | H10 | 179.9° | 179.7° |
| C14 | C13 | O1 | C12 | 0.1° | 0.3° |
| C14 | C13 | O1 | H4 | 180.0° | 179.6° |
| C13 | C14 | C15 | H5 | 179.8° | 180.0° |
| C4 | C3 | C2 | H11 | 180.0° | 179.5° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C4 | C3 | C2 | C12 | 179.8° | 179.7° |
| C4 | C3 | C2 | C1 | 0.1° | 0.5° |
| C3 | C4 | C5 | C7 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C2 | C3 | C4 | C5 | 0.1° | 0.5° |
| C3 | C2 | C12 | C1 | 179.9° | 179.8° |
| C3 | C2 | C12 | O1 | 166.9° | 179.3° |
| C3 | C2 | C1 | C6 | 0.0° | 0.3° |
| C2 | C3 | C4 | H1 | 179.9° | 179.7° |
| C3 | C2 | C1 | H6 | 180.0° | 179.8° |
| C4 | C5 | C7 | C6 | 179.9° | 180.0° |
| C4 | C5 | C7 | C8 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.0° | 0.1° |
| C4 | C5 | C6 | C10 | 180.0° | 180.0° |
| C4 | C5 | C7 | H2 | 0.0° | 0.0° |
| C5 | C4 | C3 | H11 | 179.9° | 180.0° |
| C2 | C12 | O1 | C13 | 179.8° | 180.0° |
| C12 | C2 | C1 | C6 | 179.9° | 179.9° |
| C2 | C12 | C15 | H5 | 0.1° | 0.3° |
| C12 | C2 | C1 | H6 | 0.1° | 0.0° |
| C12 | C2 | C3 | H11 | 0.1° | 0.2° |
| O1 | C12 | C2 | C1 | 13.2° | 0.4° |
| C12 | O1 | C13 | H4 | 179.9° | 179.9° |
| O1 | C12 | C15 | H5 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 0.0° | 0.1° |
| C2 | C1 | C6 | H6 | 180.0° | 179.9° |
| C2 | C1 | C6 | C10 | 179.9° | 180.0° |
| C1 | C2 | C3 | H11 | 180.0° | 180.0° |
| O1 | C13 | C14 | H10 | 179.9° | 179.9° |
| C5 | C7 | C8 | H2 | 180.0° | 180.0° |
| C7 | C5 | C6 | C1 | 179.9° | 180.0° |
| C7 | C5 | C6 | C10 | 0.1° | 0.0° |
| C5 | C7 | C8 | C9 | 0.1° | 0.1° |
| C7 | C5 | C4 | H1 | 0.0° | 0.0° |
| C5 | C7 | C8 | H3 | 179.9° | 179.9° |
| C6 | C5 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C1 | C10 | 180.0° | 179.9° |
| C5 | C6 | C10 | C9 | 0.1° | 0.1° |
| C5 | C6 | C10 | C11 | 179.9° | 180.0° |
| C6 | C5 | C4 | H1 | 179.9° | 180.0° |
| C6 | C5 | C7 | H2 | 179.9° | 180.0° |
| C5 | C6 | C1 | H6 | 179.9° | 180.0° |
| C7 | C8 | C9 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.0° | 0.1° |
| C7 | C8 | C9 | O2 | 180.0° | 180.0° |
| C1 | C6 | C10 | C9 | 180.0° | 180.0° |
| C1 | C6 | C10 | C11 | 0.0° | 0.1° |
| C6 | C10 | C9 | C8 | 0.0° | 0.2° |
| C6 | C10 | C9 | C11 | 180.0° | 179.9° |
| C6 | C10 | C9 | O2 | 180.0° | 180.0° |
| C10 | C6 | C1 | H6 | 0.1° | 0.1° |
| C6 | C10 | C11 | H7 | 16.8° | 5.2° |
| C6 | C10 | C11 | O3 | 163.2° | 174.8° |
| C8 | C9 | C10 | O2 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 180.0° | 179.9° |
| C9 | C8 | C7 | H2 | 179.9° | 179.9° |
| C8 | C9 | O2 | H12 | 171.8° | 89.9° |
| C10 | C9 | C8 | H3 | 180.0° | 180.0° |
| C9 | C10 | C11 | H7 | 163.3° | 174.9° |
| C10 | C9 | O2 | H12 | 8.2° | 90.0° |
| C9 | C10 | C11 | O3 | 16.7° | 5.2° |
| C11 | C10 | C9 | O2 | 0.0° | 0.1° |
| C10 | C11 | H7 | O3 | 180.0° | 179.9° |
| O2 | C9 | C8 | H3 | 0.0° | 0.1° |
| H1 | C4 | C3 | H11 | 0.1° | 0.3° |
| H2 | C7 | C8 | H3 | 0.1° | 0.1° |
| H4 | C13 | C14 | H10 | 0.2° | 0.4° |
| H5 | C15 | C14 | H10 | 0.1° | 0.1° |
