JZ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | OAB | sing | 1.36Å | 1.37Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C11 | 120.8° | 120.1° |
| C7 | C8 | C9 | 119.5° | 120.1° |
| C8 | C7 | H7 | 119.6° | 120.0° |
| C7 | C8 | H8 | 120.3° | 120.0° |
| C7 | C11 | C12 | 120.0° | 120.1° |
| C11 | C7 | H7 | 119.6° | 120.0° |
| C7 | C11 | H11 | 120.0° | 120.0° |
| C8 | C9 | C10 | 120.1° | 119.9° |
| C9 | C8 | H8 | 120.3° | 119.9° |
| C8 | C9 | H9 | 119.9° | 120.1° |
| C9 | C10 | C12 | 121.2° | 119.9° |
| C9 | C10 | OAB | 118.7° | 120.0° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C12 | C10 | OAB | 120.1° | 120.0° |
| C10 | C12 | C11 | 118.5° | 119.9° |
| C10 | C12 | C13 | 124.0° | 120.1° |
| C10 | OAB | HOAB | 109.5° | 114.0° |
| C11 | C12 | C13 | 117.5° | 120.0° |
| C12 | C11 | H11 | 120.0° | 119.9° |
| C12 | C13 | C14 | 111.5° | 109.5° |
| C12 | C13 | H13 | 108.8° | 109.5° |
| C12 | C13 | H13A | 108.8° | 109.5° |
| C14 | C13 | H13 | 108.8° | 109.5° |
| C14 | C13 | H13A | 108.8° | 109.4° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C13 | C14 | H14A | 109.5° | 109.4° |
| C13 | C14 | H14B | 109.5° | 109.5° |
| H13 | C13 | H13A | 110.1° | 109.5° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C11 | H7 | 180.0° | 179.8° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.1° |
| C8 | C7 | C11 | C12 | 0.0° | 0.0° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C8 | C7 | C11 | H11 | 179.9° | 180.0° |
| C11 | C7 | C8 | C9 | 0.1° | 0.1° |
| C7 | C11 | C12 | C10 | 0.1° | 0.0° |
| C7 | C11 | C12 | H11 | 180.0° | 180.0° |
| C7 | C11 | C12 | C13 | 179.4° | 180.0° |
| C11 | C7 | C8 | H8 | 179.9° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C12 | 0.5° | 0.0° |
| C8 | C9 | C10 | OAB | 179.9° | 180.0° |
| C9 | C8 | C7 | H7 | 180.0° | 179.7° |
| C9 | C10 | C12 | OAB | 179.6° | 180.0° |
| C9 | C10 | C12 | C11 | 0.4° | 0.0° |
| C9 | C10 | C12 | C13 | 179.6° | 180.0° |
| C10 | C9 | C8 | H8 | 179.7° | 179.9° |
| C9 | C10 | OAB | HOAB | 180.0° | 90.0° |
| C10 | C12 | C11 | C13 | 179.3° | 180.0° |
| C10 | C12 | C13 | C14 | 78.5° | 85.0° |
| C12 | C10 | C9 | H9 | 179.5° | 180.0° |
| C10 | C12 | C11 | H11 | 179.9° | 180.0° |
| C10 | C12 | C13 | H13 | 41.5° | 155.0° |
| C10 | C12 | C13 | H13A | 161.5° | 35.0° |
| C12 | C10 | OAB | HOAB | 0.4° | 90.0° |
| OAB | C10 | C12 | C11 | 180.0° | 180.0° |
| OAB | C10 | C12 | C13 | 0.7° | 0.0° |
| OAB | C10 | C9 | H9 | 0.1° | 0.0° |
| C11 | C12 | C13 | C14 | 100.8° | 95.0° |
| C12 | C11 | C7 | H7 | 179.9° | 179.8° |
| C11 | C12 | C13 | H13 | 139.3° | 25.0° |
| C11 | C12 | C13 | H13A | 19.2° | 145.0° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 120.0° | 120.0° |
| C13 | C12 | C11 | H11 | 0.6° | 0.0° |
| C12 | C13 | H13 | H13A | 119.2° | 120.0° |
| C12 | C13 | C14 | H14 | 180.0° | 60.0° |
| C12 | C13 | C14 | H14A | 60.0° | 60.0° |
| C12 | C13 | C14 | H14B | 60.0° | 180.0° |
| C14 | C13 | H13 | H13A | 119.1° | 120.0° |
| C13 | C14 | H14 | H14A | 120.0° | 119.9° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 120.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.2° |
| H7 | C7 | C11 | H11 | 0.1° | 0.2° |
| H8 | C8 | C9 | H9 | 0.4° | 0.0° |
| H13 | C13 | C14 | H14 | 60.0° | 180.0° |
| H13 | C13 | C14 | H14A | 180.0° | 60.0° |
| H13 | C13 | C14 | H14B | 60.0° | 60.0° |
| H13A | C13 | C14 | H14 | 60.0° | 60.0° |
| H13A | C13 | C14 | H14A | 60.0° | 180.0° |
| H13A | C13 | C14 | H14B | 180.0° | 60.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.1° |
