ZF1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.36Å | 1.42Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.37Å | 1.39Å | Aromatic |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.41Å | 1.49Å | Aromatic |
| C4 | C9 | sing | 1.48Å | 1.51Å | |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | O2 | sing | 1.35Å | 1.40Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| O2 | C7 | sing | 1.33Å | 1.47Å | |
| C7 | C8 | doub | 1.36Å | 1.42Å | |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.47Å | 1.49Å | |
| C8 | C10 | sing | 1.48Å | 1.49Å | |
| C9 | O3 | doub | 1.22Å | 1.26Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | O4 | sing | 1.36Å | 1.37Å | |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| O4 | H4O | sing | 0.97Å | 0.95Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| H1O | O1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 117.2° | 119.7° |
| O1 | C1 | C6 | 123.2° | 119.6° |
| C1 | O1 | H1O | 109.5° | 114.0° |
| C2 | C1 | C6 | 119.6° | 120.6° |
| C1 | C2 | C3 | 121.8° | 120.3° |
| C1 | C2 | H21 | 119.1° | 119.9° |
| C1 | C6 | C5 | 121.0° | 119.9° |
| C1 | C6 | H61 | 119.5° | 120.0° |
| C3 | C2 | H21 | 119.1° | 119.8° |
| C2 | C3 | C4 | 120.5° | 119.7° |
| C2 | C3 | H31 | 119.8° | 120.2° |
| C4 | C3 | H31 | 119.7° | 120.1° |
| C3 | C4 | C5 | 118.7° | 120.6° |
| C3 | C4 | C9 | 121.5° | 121.4° |
| C5 | C4 | C9 | 119.8° | 118.0° |
| C4 | C5 | C6 | 118.4° | 118.9° |
| C4 | C5 | O2 | 118.4° | 120.6° |
| C4 | C9 | C8 | 118.5° | 115.8° |
| C4 | C9 | O3 | 121.3° | 122.1° |
| C6 | C5 | O2 | 123.2° | 120.5° |
| C5 | C6 | H61 | 119.5° | 120.1° |
| C5 | O2 | C7 | 122.7° | 121.3° |
| O2 | C7 | C8 | 121.3° | 123.1° |
| O2 | C7 | H71 | 119.4° | 118.5° |
| C8 | C7 | H71 | 119.3° | 118.4° |
| C7 | C8 | C9 | 119.3° | 118.1° |
| C7 | C8 | C10 | 123.9° | 120.9° |
| C9 | C8 | C10 | 116.8° | 121.0° |
| C8 | C9 | O3 | 120.2° | 122.1° |
| C8 | C10 | C11 | 121.4° | 120.1° |
| C8 | C10 | C15 | 118.2° | 120.1° |
| C11 | C10 | C15 | 120.3° | 119.8° |
| C10 | C11 | C12 | 119.7° | 120.0° |
| C10 | C11 | H111 | 120.1° | 120.0° |
| C10 | C15 | C14 | 120.1° | 119.9° |
| C10 | C15 | H151 | 119.9° | 120.0° |
| C12 | C11 | H111 | 120.1° | 120.0° |
| C11 | C12 | C13 | 119.1° | 120.0° |
| C11 | C12 | H121 | 120.5° | 120.0° |
| C13 | C12 | H121 | 120.4° | 119.9° |
| C12 | C13 | O4 | 122.6° | 120.0° |
| C12 | C13 | C14 | 120.6° | 120.1° |
| O4 | C13 | C14 | 116.9° | 119.9° |
| C13 | O4 | H4O | 109.5° | 114.0° |
| C13 | C14 | C15 | 120.1° | 120.1° |
| C13 | C14 | H141 | 120.0° | 119.9° |
| C15 | C14 | H141 | 119.9° | 120.0° |
| C14 | C15 | H151 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C6 | 179.3° | 179.7° |
| O1 | C1 | C2 | C3 | 179.6° | 179.8° |
| O1 | C1 | C2 | H21 | 0.4° | 0.2° |
| O1 | C1 | C6 | C5 | 180.0° | 179.7° |
| O1 | C1 | C6 | H61 | 0.0° | 0.0° |
| C1 | C2 | C3 | H21 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.7° | 0.1° |
| C1 | C2 | C3 | H31 | 179.3° | 180.0° |
| C2 | C1 | C6 | C5 | 0.8° | 0.5° |
| C2 | C1 | C6 | H61 | 179.3° | 179.7° |
| C2 | C1 | O1 | H1O | 180.0° | 90.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.5° |
| C6 | C1 | C2 | H21 | 179.7° | 179.5° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H61 | 180.0° | 179.7° |
| C1 | C6 | C5 | O2 | 179.3° | 179.5° |
| C6 | C1 | O1 | H1O | 0.7° | 90.3° |
| C2 | C3 | C4 | H31 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.3° | 0.3° |
| C2 | C3 | C4 | C9 | 179.8° | 179.3° |
| H21 | C2 | C3 | C4 | 179.2° | 180.0° |
| H21 | C2 | C3 | H31 | 0.8° | 0.0° |
| C3 | C4 | C5 | C9 | 178.9° | 179.6° |
| C3 | C4 | C5 | C6 | 0.9° | 0.3° |
| C3 | C4 | C5 | O2 | 179.6° | 179.1° |
| C3 | C4 | C9 | C8 | 178.6° | 167.1° |
| C3 | C4 | C9 | O3 | 0.7° | 12.8° |
| H31 | C3 | C4 | C5 | 178.7° | 179.6° |
| H31 | C3 | C4 | C9 | 0.1° | 0.7° |
| C4 | C5 | C6 | O2 | 179.5° | 179.4° |
| C4 | C5 | C6 | H61 | 179.9° | 179.9° |
| C4 | C5 | O2 | C7 | 1.2° | 15.9° |
| C5 | C4 | C9 | C8 | 0.3° | 12.5° |
| C5 | C4 | C9 | O3 | 179.5° | 167.5° |
| C9 | C4 | C5 | C6 | 179.7° | 179.3° |
| C9 | C4 | C5 | O2 | 0.8° | 1.3° |
| C4 | C9 | C8 | C7 | 0.9° | 12.9° |
| C4 | C9 | C8 | O3 | 179.2° | 180.0° |
| C4 | C9 | C8 | C10 | 179.8° | 167.3° |
| C6 | C5 | O2 | C7 | 179.3° | 164.7° |
| O2 | C5 | C6 | H61 | 0.6° | 0.7° |
| C5 | O2 | C7 | C8 | 0.6° | 15.9° |
| C5 | O2 | C7 | H71 | 179.3° | 164.0° |
| O2 | C7 | C8 | H71 | 180.0° | 179.9° |
| O2 | C7 | C8 | C9 | 0.4° | 0.8° |
| O2 | C7 | C8 | C10 | 179.7° | 179.1° |
| C7 | C8 | C9 | C10 | 179.3° | 179.9° |
| C7 | C8 | C9 | O3 | 179.9° | 167.2° |
| C7 | C8 | C10 | C11 | 179.4° | 65.0° |
| C7 | C8 | C10 | C15 | 0.9° | 115.3° |
| H71 | C7 | C8 | C9 | 179.6° | 179.2° |
| H71 | C7 | C8 | C10 | 0.3° | 1.0° |
| C9 | C8 | C10 | C11 | 0.1° | 115.1° |
| C9 | C8 | C10 | C15 | 178.4° | 64.6° |
| C10 | C8 | C9 | O3 | 0.6° | 12.7° |
| C8 | C10 | C11 | C15 | 178.5° | 179.7° |
| C8 | C10 | C11 | C12 | 179.9° | 179.9° |
| C8 | C10 | C11 | H111 | 0.0° | 0.0° |
| C8 | C10 | C15 | C14 | 179.6° | 179.8° |
| C8 | C10 | C15 | H151 | 0.5° | 0.1° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.3° | 0.1° |
| C10 | C11 | C12 | H121 | 179.7° | 180.0° |
| C11 | C10 | C15 | C14 | 1.9° | 0.5° |
| C11 | C10 | C15 | H151 | 178.0° | 179.8° |
| C15 | C10 | C11 | C12 | 1.5° | 0.2° |
| C15 | C10 | C11 | H111 | 178.5° | 179.8° |
| C10 | C15 | C14 | C13 | 1.2° | 0.5° |
| C10 | C15 | C14 | H151 | 180.0° | 179.7° |
| C10 | C15 | C14 | H141 | 178.8° | 179.7° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | O4 | 179.8° | 179.9° |
| C11 | C12 | C13 | C14 | 0.4° | 0.1° |
| H111 | C11 | C12 | C13 | 179.7° | 180.0° |
| H111 | C11 | C12 | H121 | 0.3° | 0.0° |
| C12 | C13 | O4 | C14 | 179.7° | 180.0° |
| C12 | C13 | O4 | H4O | 180.0° | 90.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.2° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| H121 | C12 | C13 | O4 | 0.2° | 0.0° |
| H121 | C12 | C13 | C14 | 179.6° | 180.0° |
| O4 | C13 | C14 | C15 | 179.7° | 179.8° |
| O4 | C13 | C14 | H141 | 0.2° | 0.0° |
| C14 | C13 | O4 | H4O | 0.2° | 90.0° |
| C13 | C14 | C15 | H141 | 180.0° | 179.8° |
| C13 | C14 | C15 | H151 | 178.8° | 179.8° |
| H141 | C14 | C15 | H151 | 1.2° | 0.0° |
