ZT4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C7 | sing | 1.40Å | 1.37Å | Aromatic |
| C4 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C13 | sing | 1.47Å | 1.44Å | |
| C8 | C9 | doub | 1.41Å | 1.39Å | Aromatic |
| C8 | C14 | sing | 1.47Å | 1.46Å | |
| C9 | C12 | sing | 1.40Å | 1.37Å | Aromatic |
| C9 | C15 | sing | 1.47Å | 1.47Å | |
| C10 | C16 | sing | 1.51Å | 1.49Å | |
| C11 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | O21 | sing | 1.37Å | 1.36Å | |
| C12 | O22 | sing | 1.36Å | 1.39Å | |
| C13 | C14 | doub | 1.35Å | 1.33Å | |
| C13 | C18 | sing | 1.51Å | 1.45Å | |
| C15 | O19 | doub | 1.22Å | 1.26Å | |
| C15 | O20 | sing | 1.35Å | 1.26Å | |
| C16 | C18 | sing | 1.54Å | 1.51Å | |
| C17 | O21 | sing | 1.44Å | 1.46Å | |
| C17 | O22 | sing | 1.44Å | 1.45Å | |
| C18 | O23 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.4° | 120.2° |
| C1 | C2 | C5 | 120.4° | 120.2° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C1 | C2 | H2 | 119.8° | 119.9° |
| C1 | C3 | C7 | 119.0° | 120.0° |
| C3 | C1 | H1 | 119.8° | 119.9° |
| C1 | C3 | H3 | 120.5° | 120.0° |
| C2 | C5 | C10 | 118.8° | 120.4° |
| C5 | C2 | H2 | 119.8° | 120.0° |
| C2 | C5 | H5 | 120.6° | 119.9° |
| C3 | C7 | C10 | 120.7° | 119.4° |
| C3 | C7 | C13 | 130.1° | 130.0° |
| C7 | C3 | H3 | 120.5° | 120.0° |
| C6 | C4 | C8 | 120.3° | 120.2° |
| C4 | C6 | C11 | 117.7° | 120.7° |
| C6 | C4 | H4 | 119.8° | 119.9° |
| C4 | C6 | H6 | 121.2° | 119.7° |
| C4 | C8 | C9 | 121.6° | 119.6° |
| C4 | C8 | C14 | 116.7° | 120.2° |
| C8 | C4 | H4 | 119.9° | 119.9° |
| C5 | C10 | C7 | 120.6° | 119.9° |
| C5 | C10 | C16 | 125.2° | 130.5° |
| C10 | C5 | H5 | 120.6° | 119.8° |
| C6 | C11 | C12 | 122.5° | 120.2° |
| C6 | C11 | O21 | 124.8° | 131.3° |
| C11 | C6 | H6 | 121.1° | 119.6° |
| C10 | C7 | C13 | 109.2° | 110.6° |
| C7 | C10 | C16 | 114.1° | 109.6° |
| C7 | C13 | C14 | 134.6° | 126.0° |
| C7 | C13 | C18 | 104.9° | 108.1° |
| C9 | C8 | C14 | 121.6° | 120.2° |
| C8 | C9 | C12 | 117.3° | 119.5° |
| C8 | C9 | C15 | 123.0° | 120.3° |
| C8 | C14 | C13 | 129.2° | 120.0° |
| C8 | C14 | H14 | 115.4° | 120.0° |
| C12 | C9 | C15 | 119.7° | 120.2° |
| C9 | C12 | C11 | 120.5° | 119.8° |
| C9 | C12 | O22 | 126.7° | 131.4° |
| C9 | C15 | O19 | 116.5° | 120.0° |
| C9 | C15 | O20 | 116.3° | 120.0° |
| C10 | C16 | C18 | 98.6° | 106.4° |
| C10 | C16 | H161 | 112.1° | 110.1° |
| C10 | C16 | H162 | 112.1° | 110.1° |
| C12 | C11 | O21 | 112.7° | 108.5° |
| C11 | C12 | O22 | 112.8° | 108.8° |
| C11 | O21 | C17 | 98.1° | 105.5° |
| C12 | O22 | C17 | 97.3° | 105.5° |
| C14 | C13 | C18 | 120.4° | 125.9° |
| C13 | C14 | H14 | 115.4° | 120.0° |
| C13 | C18 | C16 | 111.8° | 105.3° |
| C13 | C18 | O23 | 119.5° | 110.3° |
| C13 | C18 | H18 | 94.1° | 110.2° |
| O19 | C15 | O20 | 127.2° | 120.0° |
| C15 | O20 | H20 | 109.5° | 117.0° |
| C16 | C18 | O23 | 127.2° | 110.2° |
| C18 | C16 | H161 | 112.1° | 110.2° |
| C18 | C16 | H162 | 112.1° | 110.0° |
| C16 | C18 | H18 | 93.9° | 110.3° |
| O21 | C17 | O22 | 113.5° | 103.7° |
| O21 | C17 | H171 | 108.5° | 110.6° |
| O21 | C17 | H172 | 108.5° | 110.6° |
| O22 | C17 | H171 | 108.4° | 110.5° |
| O22 | C17 | H172 | 108.5° | 110.6° |
| C18 | O23 | H23 | 109.5° | 114.0° |
| O23 | C18 | H18 | 94.2° | 110.4° |
| H161 | C16 | H162 | 109.5° | 110.1° |
| H171 | C17 | H172 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C5 | H2 | 180.0° | 179.9° |
| C2 | C1 | C3 | C7 | 0.3° | 0.0° |
| C1 | C2 | C5 | C10 | 0.9° | 0.0° |
| C2 | C1 | C3 | H3 | 179.6° | 179.9° |
| C1 | C2 | C5 | H5 | 179.1° | 180.0° |
| C3 | C1 | C2 | C5 | 0.2° | 0.0° |
| C1 | C3 | C7 | H3 | 180.0° | 179.9° |
| C1 | C3 | C7 | C10 | 0.3° | 0.1° |
| C1 | C3 | C7 | C13 | 178.9° | 180.0° |
| C3 | C1 | C2 | H2 | 179.8° | 180.0° |
| C2 | C5 | C10 | H5 | 180.0° | 180.0° |
| C2 | C5 | C10 | C7 | 0.9° | 0.0° |
| C2 | C5 | C10 | C16 | 178.8° | 180.0° |
| C5 | C2 | C1 | H1 | 179.8° | 179.8° |
| C3 | C7 | C10 | C5 | 0.4° | 0.1° |
| C3 | C7 | C10 | C13 | 179.3° | 180.0° |
| C3 | C7 | C10 | C16 | 179.4° | 179.9° |
| C3 | C7 | C13 | C14 | 5.7° | 0.0° |
| C3 | C7 | C13 | C18 | 172.2° | 180.0° |
| C7 | C3 | C1 | H1 | 179.7° | 179.7° |
| C6 | C4 | C8 | H4 | 180.0° | 179.6° |
| C4 | C6 | C11 | H6 | 180.0° | 180.0° |
| C6 | C4 | C8 | C9 | 1.1° | 0.1° |
| C6 | C4 | C8 | C14 | 177.7° | 179.9° |
| C4 | C6 | C11 | C12 | 0.7° | 0.0° |
| C4 | C6 | C11 | O21 | 178.0° | 180.0° |
| C8 | C4 | C6 | C11 | 0.4° | 0.1° |
| C4 | C8 | C9 | C14 | 176.5° | 180.0° |
| C4 | C8 | C9 | C12 | 2.2° | 0.1° |
| C4 | C8 | C9 | C15 | 179.2° | 180.0° |
| C4 | C8 | C14 | C13 | 49.4° | 48.4° |
| C8 | C4 | C6 | H6 | 179.6° | 180.0° |
| C4 | C8 | C14 | H14 | 130.6° | 131.7° |
| C5 | C10 | C7 | C16 | 179.8° | 180.0° |
| C5 | C10 | C7 | C13 | 179.7° | 180.0° |
| C5 | C10 | C16 | C18 | 173.1° | 179.9° |
| C10 | C5 | C2 | H2 | 179.1° | 180.0° |
| C5 | C10 | C16 | H161 | 68.7° | 60.7° |
| C5 | C10 | C16 | H162 | 54.9° | 60.8° |
| C6 | C11 | C12 | C9 | 0.5° | 0.0° |
| C6 | C11 | C12 | O21 | 178.8° | 180.0° |
| C6 | C11 | C12 | O22 | 179.1° | 180.0° |
| C6 | C11 | O21 | C17 | 165.4° | 162.7° |
| C11 | C6 | C4 | H4 | 179.6° | 179.7° |
| C10 | C7 | C13 | C14 | 175.0° | 179.9° |
| C10 | C7 | C13 | C18 | 7.0° | 0.0° |
| C7 | C10 | C16 | C18 | 6.7° | 0.1° |
| C10 | C7 | C3 | H3 | 179.7° | 180.0° |
| C7 | C10 | C5 | H5 | 179.1° | 180.0° |
| C7 | C10 | C16 | H161 | 111.5° | 119.3° |
| C7 | C10 | C16 | H162 | 124.9° | 119.2° |
| C7 | C13 | C14 | C8 | 5.5° | 11.4° |
| C13 | C7 | C10 | C16 | 0.1° | 0.0° |
| C7 | C13 | C14 | C18 | 177.7° | 179.9° |
| C7 | C13 | C18 | C16 | 11.7° | 0.1° |
| C7 | C13 | C18 | O23 | 178.7° | 118.9° |
| C13 | C7 | C3 | H3 | 1.1° | 0.1° |
| C7 | C13 | C14 | H14 | 174.5° | 168.6° |
| C7 | C13 | C18 | H18 | 84.2° | 118.9° |
| C8 | C9 | C12 | C15 | 178.7° | 179.9° |
| C8 | C9 | C12 | C11 | 1.9° | 0.0° |
| C8 | C9 | C12 | O22 | 177.7° | 180.0° |
| C9 | C8 | C14 | C13 | 134.0° | 131.6° |
| C8 | C9 | C15 | O19 | 123.9° | 90.0° |
| C8 | C9 | C15 | O20 | 56.9° | 90.0° |
| C9 | C8 | C4 | H4 | 178.9° | 179.7° |
| C9 | C8 | C14 | H14 | 46.0° | 48.4° |
| C14 | C8 | C9 | C12 | 178.7° | 179.9° |
| C14 | C8 | C9 | C15 | 2.7° | 0.0° |
| C8 | C14 | C13 | H14 | 180.0° | 179.9° |
| C8 | C14 | C13 | C18 | 176.8° | 168.6° |
| C14 | C8 | C4 | H4 | 2.3° | 0.3° |
| C9 | C12 | C11 | O22 | 179.7° | 180.0° |
| C9 | C12 | C11 | O21 | 179.3° | 180.0° |
| C12 | C9 | C15 | O19 | 54.7° | 90.1° |
| C12 | C9 | C15 | O20 | 124.5° | 90.0° |
| C9 | C12 | O22 | C17 | 165.7° | 162.7° |
| C15 | C9 | C12 | C11 | 179.4° | 180.0° |
| C15 | C9 | C12 | O22 | 1.0° | 0.0° |
| C9 | C15 | O19 | O20 | 179.1° | 180.0° |
| C9 | C15 | O20 | H20 | 179.2° | 179.9° |
| C10 | C16 | C18 | C13 | 11.1° | 0.1° |
| C10 | C16 | C18 | H161 | 118.2° | 119.3° |
| C10 | C16 | C18 | H162 | 118.2° | 119.2° |
| C10 | C16 | C18 | O23 | 176.9° | 119.0° |
| C16 | C10 | C5 | H5 | 1.2° | 0.0° |
| C10 | C16 | H161 | H162 | 125.1° | 121.5° |
| C10 | C16 | C18 | H18 | 84.9° | 118.8° |
| C12 | C11 | O21 | C17 | 13.4° | 17.3° |
| C11 | C12 | O22 | C17 | 14.0° | 17.3° |
| C12 | C11 | C6 | H6 | 179.3° | 180.0° |
| O21 | C11 | C12 | O22 | 0.3° | 0.0° |
| C11 | O21 | C17 | O22 | 23.5° | 27.2° |
| O21 | C11 | C6 | H6 | 2.0° | 0.0° |
| C11 | O21 | C17 | H171 | 97.1° | 145.7° |
| C11 | O21 | C17 | H172 | 144.1° | 91.4° |
| C12 | O22 | C17 | O21 | 23.4° | 27.2° |
| C12 | O22 | C17 | H171 | 97.2° | 145.8° |
| C12 | O22 | C17 | H172 | 144.0° | 91.4° |
| C14 | C13 | C18 | C16 | 170.0° | 179.9° |
| C14 | C13 | C18 | O23 | 3.0° | 61.0° |
| C14 | C13 | C18 | H18 | 94.1° | 61.1° |
| C13 | C18 | C16 | O23 | 165.8° | 118.9° |
| C13 | C18 | C16 | H18 | 96.0° | 119.0° |
| C13 | C18 | O23 | H18 | 97.1° | 122.1° |
| C18 | C13 | C14 | H14 | 3.2° | 11.5° |
| C13 | C18 | C16 | H161 | 107.1° | 119.2° |
| C13 | C18 | C16 | H162 | 129.3° | 119.3° |
| C13 | C18 | O23 | H23 | 180.0° | 180.0° |
| O19 | C15 | O20 | H20 | 0.0° | 0.0° |
| C16 | C18 | O23 | H18 | 98.1° | 122.1° |
| C18 | C16 | H161 | H162 | 125.1° | 121.4° |
| C16 | C18 | O23 | H23 | 15.2° | 64.1° |
| O21 | C17 | O22 | H171 | 120.6° | 118.6° |
| O21 | C17 | O22 | H172 | 120.6° | 118.6° |
| O21 | C17 | H171 | H172 | 118.2° | 122.9° |
| O22 | C17 | H171 | H172 | 118.2° | 122.8° |
| O23 | C18 | C16 | H161 | 58.7° | 0.3° |
| O23 | C18 | C16 | H162 | 64.9° | 121.8° |
| H1 | C1 | C2 | H2 | 0.2° | 0.3° |
| H1 | C1 | C3 | H3 | 0.4° | 0.2° |
| H2 | C2 | C5 | H5 | 0.9° | 0.0° |
| H4 | C4 | C6 | H6 | 0.4° | 0.3° |
| H161 | C16 | C18 | H18 | 156.9° | 121.8° |
| H162 | C16 | C18 | H18 | 33.3° | 0.3° |
| H23 | O23 | C18 | H18 | 82.9° | 58.0° |
