5P3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C7 | sing | 1.47Å | 1.54Å | |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | C3 | sing | 1.48Å | 1.43Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | CL11 | sing | 1.74Å | 1.73Å | |
| C6 | O10 | sing | 1.36Å | 1.37Å | |
| O8 | C7 | doub | 1.21Å | 1.27Å | |
| C7 | O9 | sing | 1.35Å | 1.25Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C13 | C12 | doub | 1.39Å | 1.43Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.4° | 119.8° |
| C2 | C1 | C7 | 121.4° | 120.1° |
| C1 | C2 | C3 | 121.8° | 119.8° |
| C1 | C2 | H2 | 119.1° | 120.2° |
| C6 | C1 | C7 | 118.2° | 120.1° |
| C1 | C6 | C5 | 118.3° | 119.9° |
| C1 | C6 | O10 | 120.7° | 120.1° |
| C1 | C7 | O8 | 119.7° | 120.0° |
| C1 | C7 | O9 | 115.0° | 120.0° |
| C3 | C2 | H2 | 119.1° | 120.1° |
| C2 | C3 | C12 | 125.1° | 119.9° |
| C2 | C3 | C4 | 116.9° | 120.1° |
| C12 | C3 | C4 | 117.8° | 120.0° |
| C3 | C12 | C13 | 124.2° | 120.1° |
| C3 | C12 | C17 | 117.2° | 120.1° |
| C3 | C4 | C5 | 121.5° | 120.3° |
| C3 | C4 | H4 | 119.2° | 119.9° |
| C5 | C4 | H4 | 119.3° | 119.8° |
| C4 | C5 | C6 | 121.1° | 120.2° |
| C4 | C5 | CL11 | 119.4° | 119.9° |
| C6 | C5 | CL11 | 119.5° | 119.9° |
| C5 | C6 | O10 | 121.0° | 120.0° |
| C6 | O10 | HO10 | 109.5° | 114.0° |
| O8 | C7 | O9 | 125.1° | 120.0° |
| C7 | O9 | HO9 | 109.5° | 117.1° |
| C13 | C12 | C17 | 118.2° | 119.8° |
| C12 | C13 | C14 | 118.8° | 119.9° |
| C12 | C13 | H13 | 120.6° | 120.1° |
| C12 | C17 | C16 | 122.6° | 119.8° |
| C12 | C17 | H17 | 118.7° | 120.1° |
| C14 | C13 | H13 | 120.6° | 120.1° |
| C13 | C14 | C15 | 121.5° | 120.1° |
| C13 | C14 | H14 | 119.3° | 119.9° |
| C15 | C14 | H14 | 119.2° | 120.0° |
| C14 | C15 | C16 | 120.3° | 120.3° |
| C14 | C15 | H15 | 119.9° | 119.9° |
| C16 | C15 | H15 | 119.8° | 119.9° |
| C15 | C16 | C17 | 118.4° | 120.1° |
| C15 | C16 | H16 | 120.8° | 119.9° |
| C17 | C16 | H16 | 120.8° | 119.9° |
| C16 | C17 | H17 | 118.7° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 176.1° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C12 | 173.4° | 180.0° |
| C1 | C2 | C3 | C4 | 1.0° | 0.0° |
| C2 | C1 | C6 | C5 | 1.4° | 0.1° |
| C2 | C1 | C6 | O10 | 177.5° | 179.7° |
| C2 | C1 | C7 | O8 | 5.1° | 179.7° |
| C2 | C1 | C7 | O9 | 170.6° | 0.3° |
| C6 | C1 | C2 | C3 | 2.2° | 0.0° |
| C6 | C1 | C2 | H2 | 177.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.5° | 0.1° |
| C1 | C6 | C5 | O10 | 178.9° | 179.8° |
| C1 | C6 | C5 | CL11 | 179.2° | 180.0° |
| C6 | C1 | C7 | O8 | 178.9° | 0.0° |
| C6 | C1 | C7 | O9 | 5.4° | 180.0° |
| C1 | C6 | O10 | HO10 | 180.0° | 90.0° |
| C7 | C1 | C2 | C3 | 178.1° | 179.7° |
| C7 | C1 | C2 | H2 | 1.9° | 0.4° |
| C7 | C1 | C6 | C5 | 177.4° | 179.8° |
| C7 | C1 | C6 | O10 | 1.4° | 0.0° |
| C1 | C7 | O8 | O9 | 175.3° | 179.9° |
| C1 | C7 | O9 | HO9 | 175.4° | 180.0° |
| C2 | C3 | C12 | C4 | 174.4° | 180.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.0° |
| C2 | C3 | C4 | H4 | 179.2° | 180.0° |
| C2 | C3 | C12 | C13 | 151.7° | 180.0° |
| C2 | C3 | C12 | C17 | 35.9° | 0.3° |
| H2 | C2 | C3 | C12 | 6.6° | 0.0° |
| H2 | C2 | C3 | C4 | 179.0° | 179.9° |
| C12 | C3 | C4 | C5 | 175.7° | 180.0° |
| C12 | C3 | C4 | H4 | 4.3° | 0.1° |
| C3 | C12 | C13 | C17 | 172.4° | 179.7° |
| C3 | C12 | C13 | C14 | 175.1° | 180.0° |
| C3 | C12 | C13 | H13 | 4.9° | 0.0° |
| C3 | C12 | C17 | C16 | 172.3° | 179.7° |
| C3 | C12 | C17 | H17 | 7.7° | 0.3° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.6° | 0.0° |
| C3 | C4 | C5 | CL11 | 179.6° | 180.0° |
| C4 | C3 | C12 | C13 | 33.9° | 0.0° |
| C4 | C3 | C12 | C17 | 138.5° | 179.7° |
| C4 | C5 | C6 | CL11 | 178.8° | 179.9° |
| C4 | C5 | C6 | O10 | 179.3° | 179.7° |
| H4 | C4 | C5 | C6 | 178.4° | 179.9° |
| H4 | C4 | C5 | CL11 | 0.4° | 0.0° |
| C5 | C6 | O10 | HO10 | 1.2° | 90.2° |
| CL11 | C5 | C6 | O10 | 1.9° | 0.2° |
| O8 | C7 | O9 | HO9 | 0.0° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.8° | 0.0° |
| C12 | C13 | C14 | H14 | 178.2° | 180.0° |
| C13 | C12 | C17 | C16 | 0.6° | 0.6° |
| C13 | C12 | C17 | H17 | 179.4° | 180.0° |
| C17 | C12 | C13 | C14 | 2.7° | 0.3° |
| C17 | C12 | C13 | H13 | 177.3° | 179.8° |
| C12 | C17 | C16 | C15 | 4.8° | 0.6° |
| C12 | C17 | C16 | H17 | 180.0° | 179.4° |
| C12 | C17 | C16 | H16 | 175.2° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 2.5° | 0.0° |
| C13 | C14 | C15 | H15 | 177.5° | 180.0° |
| H13 | C13 | C14 | C15 | 178.3° | 179.9° |
| H13 | C13 | C14 | H14 | 1.8° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 5.7° | 0.3° |
| C14 | C15 | C16 | H16 | 174.3° | 179.9° |
| H14 | C14 | C15 | C16 | 177.5° | 180.0° |
| H14 | C14 | C15 | H15 | 2.5° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.6° |
| C15 | C16 | C17 | H17 | 175.2° | 180.0° |
| H15 | C15 | C16 | C17 | 174.3° | 179.7° |
| H15 | C15 | C16 | H16 | 5.7° | 0.1° |
| H16 | C16 | C17 | H17 | 4.8° | 0.4° |
