ZTW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.36Å | 1.40Å | Aromatic |
| C1 | C14 | sing | 1.42Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | O3 | sing | 1.36Å | 1.40Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | S6 | sing | 1.77Å | 1.69Å | Aromatic |
| C5 | C14 | doub | 1.41Å | 1.43Å | Aromatic |
| S6 | C7 | sing | 1.78Å | 1.68Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.49Å | Aromatic |
| C7 | C15 | doub | 1.35Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
| C8 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | O11 | sing | 1.36Å | 1.39Å | |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.45Å | 1.46Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C14 | 120.2° | 120.9° |
| C2 | C1 | H1 | 119.9° | 119.6° |
| C1 | C2 | C3 | 120.3° | 121.4° |
| C1 | C2 | H2 | 119.8° | 119.3° |
| C14 | C1 | H1 | 119.9° | 119.6° |
| C1 | C14 | C5 | 119.2° | 116.7° |
| C1 | C14 | C15 | 131.3° | 128.6° |
| C3 | C2 | H2 | 119.9° | 119.3° |
| C2 | C3 | O3 | 121.9° | 120.3° |
| C2 | C3 | C4 | 119.7° | 119.4° |
| O3 | C3 | C4 | 118.4° | 120.3° |
| C3 | O3 | H3 | 121.9° | 106.8° |
| C3 | C4 | C5 | 119.9° | 119.5° |
| C3 | C4 | H4 | 120.1° | 120.3° |
| C5 | C4 | H4 | 120.1° | 120.2° |
| C4 | C5 | S6 | 128.8° | 134.1° |
| C4 | C5 | C14 | 120.7° | 122.1° |
| S6 | C5 | C14 | 110.5° | 103.8° |
| C5 | S6 | C7 | 96.6° | 99.0° |
| C5 | C14 | C15 | 109.5° | 114.8° |
| S6 | C7 | C8 | 124.4° | 128.3° |
| S6 | C7 | C15 | 108.9° | 103.5° |
| C8 | C7 | C15 | 126.7° | 128.2° |
| C7 | C8 | C9 | 123.3° | 120.1° |
| C7 | C8 | C13 | 116.4° | 120.1° |
| C7 | C15 | C14 | 114.6° | 119.0° |
| C7 | C15 | H15 | 122.8° | 120.5° |
| C9 | C8 | C13 | 120.1° | 119.8° |
| C8 | C9 | C10 | 117.1° | 119.9° |
| C8 | C9 | H9 | 121.5° | 120.1° |
| C8 | C13 | C12 | 121.4° | 120.0° |
| C8 | C13 | H13 | 119.3° | 120.0° |
| C10 | C9 | H9 | 121.5° | 120.0° |
| C9 | C10 | C11 | 123.4° | 120.1° |
| C9 | C10 | H10 | 118.3° | 119.9° |
| C11 | C10 | H10 | 118.3° | 120.0° |
| C10 | C11 | O11 | 121.9° | 119.9° |
| C10 | C11 | C12 | 118.5° | 120.2° |
| O11 | C11 | C12 | 119.6° | 119.9° |
| C11 | O11 | H11 | 121.9° | 106.8° |
| C11 | C12 | C13 | 119.5° | 120.1° |
| C11 | C12 | H12 | 120.3° | 119.9° |
| C13 | C12 | H12 | 120.3° | 120.0° |
| C12 | C13 | H13 | 119.3° | 120.0° |
| C14 | C15 | H15 | 122.7° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C14 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | O3 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C14 | C5 | 0.6° | 0.1° |
| C2 | C1 | C14 | C15 | 179.9° | 179.7° |
| C14 | C1 | C2 | C3 | 0.5° | 0.1° |
| C14 | C1 | C2 | H2 | 179.5° | 179.9° |
| C1 | C14 | C5 | C4 | 0.6° | 0.1° |
| C1 | C14 | C5 | S6 | 178.9° | 179.9° |
| C1 | C14 | C5 | C15 | 179.4° | 179.9° |
| C1 | C14 | C15 | C7 | 178.3° | 179.7° |
| C1 | C14 | C15 | H15 | 1.7° | 0.1° |
| H1 | C1 | C2 | C3 | 179.5° | 180.0° |
| H1 | C1 | C2 | H2 | 0.5° | 0.0° |
| H1 | C1 | C14 | C5 | 179.4° | 179.9° |
| H1 | C1 | C14 | C15 | 0.1° | 0.2° |
| C2 | C3 | O3 | C4 | 179.5° | 179.9° |
| C2 | C3 | O3 | H3 | 180.0° | 90.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C2 | C3 | C4 | H4 | 179.7° | 179.9° |
| H2 | C2 | C3 | O3 | 0.2° | 0.0° |
| H2 | C2 | C3 | C4 | 179.7° | 180.0° |
| O3 | C3 | C4 | C5 | 179.8° | 180.0° |
| O3 | C3 | C4 | H4 | 0.2° | 0.0° |
| C4 | C3 | O3 | H3 | 0.5° | 90.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | S6 | 179.0° | 180.0° |
| C3 | C4 | C5 | C14 | 0.5° | 0.0° |
| C4 | C5 | S6 | C14 | 179.5° | 180.0° |
| C4 | C5 | S6 | C7 | 179.4° | 180.0° |
| C4 | C5 | C14 | C15 | 180.0° | 179.8° |
| H4 | C4 | C5 | S6 | 1.0° | 0.0° |
| H4 | C4 | C5 | C14 | 179.5° | 180.0° |
| C5 | S6 | C7 | C8 | 176.6° | 180.0° |
| C5 | S6 | C7 | C15 | 0.7° | 0.2° |
| S6 | C5 | C14 | C15 | 0.5° | 0.2° |
| C14 | C5 | S6 | C7 | 0.1° | 0.0° |
| C5 | C14 | C15 | C7 | 1.0° | 0.4° |
| C5 | C14 | C15 | H15 | 179.0° | 179.8° |
| S6 | C7 | C8 | C15 | 175.2° | 179.7° |
| S6 | C7 | C8 | C9 | 22.4° | 40.0° |
| S6 | C7 | C8 | C13 | 153.5° | 140.1° |
| S6 | C7 | C15 | C14 | 1.1° | 0.4° |
| S6 | C7 | C15 | H15 | 178.9° | 179.8° |
| C7 | C8 | C9 | C13 | 175.7° | 179.9° |
| C7 | C8 | C9 | C10 | 178.2° | 180.0° |
| C7 | C8 | C9 | H9 | 1.8° | 0.1° |
| C7 | C8 | C13 | C12 | 178.3° | 179.8° |
| C7 | C8 | C13 | H13 | 1.7° | 0.1° |
| C8 | C7 | C15 | C14 | 176.9° | 179.9° |
| C8 | C7 | C15 | H15 | 3.1° | 0.1° |
| C15 | C7 | C8 | C9 | 162.4° | 140.3° |
| C15 | C7 | C8 | C13 | 21.7° | 39.6° |
| C7 | C15 | C14 | H15 | 180.0° | 179.8° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 2.0° | 0.0° |
| C8 | C9 | C10 | H10 | 178.0° | 180.0° |
| C9 | C8 | C13 | C12 | 2.3° | 0.3° |
| C9 | C8 | C13 | H13 | 177.7° | 179.9° |
| C13 | C8 | C9 | C10 | 2.5° | 0.1° |
| C13 | C8 | C9 | H9 | 177.5° | 179.9° |
| C8 | C13 | C12 | C11 | 1.3° | 0.5° |
| C8 | C13 | C12 | H13 | 180.0° | 179.8° |
| C8 | C13 | C12 | H12 | 178.8° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | O11 | 179.8° | 180.0° |
| C9 | C10 | C11 | C12 | 1.0° | 0.2° |
| H9 | C9 | C10 | C11 | 178.1° | 180.0° |
| H9 | C9 | C10 | H10 | 1.9° | 0.0° |
| C10 | C11 | O11 | C12 | 179.2° | 179.8° |
| C10 | C11 | O11 | H11 | 180.0° | 90.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.4° |
| C10 | C11 | C12 | H12 | 179.4° | 180.0° |
| H10 | C10 | C11 | O11 | 0.2° | 0.0° |
| H10 | C10 | C11 | C12 | 179.0° | 179.8° |
| O11 | C11 | C12 | C13 | 179.8° | 179.8° |
| O11 | C11 | C12 | H12 | 0.2° | 0.2° |
| C12 | C11 | O11 | H11 | 0.8° | 90.3° |
| C11 | C12 | C13 | H12 | 180.0° | 179.6° |
| C11 | C12 | C13 | H13 | 178.7° | 179.8° |
| H12 | C12 | C13 | H13 | 1.2° | 0.2° |
