C17
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2C | C2 | doub | 1.22Å | 1.25Å | |
| C2 | O1 | sing | 1.35Å | 1.36Å | |
| C2 | C3 | sing | 1.47Å | 1.39Å | |
| O1 | C9 | sing | 1.35Å | 1.37Å | |
| C9 | C10 | sing | 1.41Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.47Å | Aromatic |
| C10 | C4 | sing | 1.47Å | 1.39Å | |
| C10 | C5 | doub | 1.40Å | 1.49Å | Aromatic |
| C4 | C4C | sing | 1.48Å | 1.48Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | |
| C4C | O4C | doub | 1.21Å | 1.25Å | |
| C4C | H4' | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.39Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C7 | O7C | sing | 1.36Å | 1.47Å | |
| C6 | C5 | sing | 1.37Å | 1.35Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O7C | C7B | sing | 1.43Å | 1.44Å | |
| C7B | C1B | sing | 1.51Å | 1.50Å | |
| C7B | H7B1 | sing | 1.09Å | 1.10Å | |
| C7B | H7B2 | sing | 1.09Å | 1.10Å | |
| C1B | C6B | sing | 1.38Å | 1.40Å | Aromatic |
| C1B | C2B | doub | 1.38Å | 1.39Å | Aromatic |
| C6B | C5B | doub | 1.38Å | 1.40Å | Aromatic |
| C6B | H6B | sing | 1.08Å | 1.08Å | |
| C5B | C4B | sing | 1.38Å | 1.41Å | Aromatic |
| C5B | H5B | sing | 1.08Å | 1.08Å | |
| C4B | C3B | doub | 1.38Å | 1.40Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| C3B | CL3 | sing | 1.74Å | 1.50Å | |
| C3B | C2B | sing | 1.38Å | 1.39Å | Aromatic |
| C2B | H2B | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2C | C2 | O1 | 118.4° | 120.8° |
| O2C | C2 | C3 | 122.6° | 120.8° |
| O1 | C2 | C3 | 119.0° | 118.4° |
| C2 | O1 | C9 | 121.1° | 116.4° |
| C2 | C3 | C4 | 120.0° | 117.1° |
| C2 | C3 | H3 | 120.0° | 121.4° |
| O1 | C9 | C10 | 121.7° | 119.8° |
| O1 | C9 | C8 | 119.6° | 120.7° |
| C10 | C9 | C8 | 118.7° | 119.5° |
| C9 | C10 | C4 | 118.0° | 119.1° |
| C9 | C10 | C5 | 117.3° | 120.0° |
| C9 | C8 | C7 | 120.7° | 119.8° |
| C9 | C8 | H8 | 119.6° | 120.1° |
| C4 | C10 | C5 | 124.7° | 120.8° |
| C10 | C4 | C4C | 120.8° | 121.5° |
| C10 | C4 | C3 | 120.2° | 117.1° |
| C10 | C5 | C6 | 119.9° | 119.8° |
| C10 | C5 | H5 | 120.1° | 120.1° |
| C4C | C4 | C3 | 118.9° | 121.4° |
| C4 | C4C | O4C | 120.2° | 120.0° |
| C4 | C4C | H4' | 119.9° | 120.1° |
| C4 | C3 | H3 | 120.0° | 121.6° |
| O4C | C4C | H4' | 119.9° | 120.0° |
| C7 | C8 | H8 | 119.7° | 120.1° |
| C8 | C7 | C6 | 120.7° | 120.5° |
| C8 | C7 | O7C | 118.1° | 119.8° |
| C6 | C7 | O7C | 121.3° | 119.7° |
| C7 | C6 | C5 | 122.7° | 120.5° |
| C7 | C6 | H6 | 118.7° | 119.8° |
| C7 | O7C | C7B | 123.7° | 117.0° |
| C5 | C6 | H6 | 118.6° | 119.8° |
| C6 | C5 | H5 | 120.1° | 120.1° |
| O7C | C7B | C1B | 105.1° | 109.5° |
| O7C | C7B | H7B1 | 111.0° | 109.5° |
| O7C | C7B | H7B2 | 111.9° | 109.5° |
| C1B | C7B | H7B1 | 111.0° | 109.4° |
| C1B | C7B | H7B2 | 111.9° | 109.5° |
| C7B | C1B | C6B | 122.6° | 120.0° |
| C7B | C1B | C2B | 116.6° | 120.0° |
| H7B1 | C7B | H7B2 | 106.2° | 109.5° |
| C6B | C1B | C2B | 120.8° | 120.0° |
| C1B | C6B | C5B | 118.5° | 120.0° |
| C1B | C6B | H6B | 120.8° | 120.0° |
| C1B | C2B | C3B | 120.8° | 120.0° |
| C1B | C2B | H2B | 119.6° | 120.0° |
| C5B | C6B | H6B | 120.8° | 120.0° |
| C6B | C5B | C4B | 120.7° | 120.0° |
| C6B | C5B | H5B | 119.6° | 119.9° |
| C4B | C5B | H5B | 119.6° | 120.1° |
| C5B | C4B | C3B | 119.9° | 120.0° |
| C5B | C4B | H4B | 120.0° | 120.0° |
| C3B | C4B | H4B | 120.0° | 120.0° |
| C4B | C3B | CL3 | 122.7° | 120.0° |
| C4B | C3B | C2B | 119.3° | 120.0° |
| CL3 | C3B | C2B | 118.0° | 120.1° |
| C3B | C2B | H2B | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2C | C2 | O1 | C3 | 179.3° | 179.8° |
| O2C | C2 | O1 | C9 | 179.8° | 138.1° |
| O2C | C2 | C3 | C4 | 180.0° | 152.2° |
| O2C | C2 | C3 | H3 | 0.0° | 27.7° |
| C2 | O1 | C9 | C10 | 0.5° | 28.0° |
| C2 | O1 | C9 | C8 | 179.8° | 152.2° |
| O1 | C2 | C3 | C4 | 0.8° | 28.0° |
| O1 | C2 | C3 | H3 | 179.2° | 152.1° |
| C3 | C2 | O1 | C9 | 0.9° | 42.1° |
| C2 | C3 | C4 | C10 | 0.3° | 0.4° |
| C2 | C3 | C4 | C4C | 179.1° | 179.8° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| O1 | C9 | C10 | C8 | 179.8° | 179.8° |
| O1 | C9 | C10 | C4 | 0.0° | 0.6° |
| O1 | C9 | C10 | C5 | 179.7° | 179.6° |
| O1 | C9 | C8 | C7 | 179.2° | 179.7° |
| O1 | C9 | C8 | H8 | 0.8° | 0.4° |
| C9 | C10 | C4 | C5 | 179.6° | 179.8° |
| C9 | C10 | C4 | C4C | 179.4° | 166.9° |
| C9 | C10 | C4 | C3 | 0.1° | 12.9° |
| C10 | C9 | C8 | C7 | 0.6° | 0.1° |
| C10 | C9 | C8 | H8 | 179.4° | 179.8° |
| C9 | C10 | C5 | C6 | 0.3° | 0.2° |
| C9 | C10 | C5 | H5 | 179.7° | 179.8° |
| C8 | C9 | C10 | C4 | 179.8° | 179.6° |
| C8 | C9 | C10 | C5 | 0.1° | 0.2° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.7° | 0.0° |
| C9 | C8 | C7 | O7C | 179.6° | 179.9° |
| C10 | C4 | C4C | C3 | 179.4° | 179.8° |
| C10 | C4 | C4C | O4C | 0.2° | 0.0° |
| C10 | C4 | C4C | H4' | 179.9° | 180.0° |
| C10 | C4 | C3 | H3 | 179.7° | 179.7° |
| C4 | C10 | C5 | C6 | 179.3° | 179.7° |
| C4 | C10 | C5 | H5 | 0.7° | 0.4° |
| C5 | C10 | C4 | C4C | 0.9° | 13.2° |
| C5 | C10 | C4 | C3 | 179.7° | 167.0° |
| C10 | C5 | C6 | C7 | 0.3° | 0.0° |
| C10 | C5 | C6 | H5 | 180.0° | 179.9° |
| C10 | C5 | C6 | H6 | 179.7° | 180.0° |
| C4 | C4C | O4C | H4' | 180.0° | 180.0° |
| C4C | C4 | C3 | H3 | 0.9° | 0.1° |
| C3 | C4 | C4C | O4C | 179.5° | 179.8° |
| C3 | C4 | C4C | H4' | 0.5° | 0.2° |
| C8 | C7 | C6 | O7C | 179.7° | 179.9° |
| C8 | C7 | C6 | C5 | 0.3° | 0.1° |
| C8 | C7 | C6 | H6 | 179.8° | 179.9° |
| C8 | C7 | O7C | C7B | 9.3° | 180.0° |
| H8 | C8 | C7 | C6 | 179.3° | 179.9° |
| H8 | C8 | C7 | O7C | 0.4° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 179.7° | 179.9° |
| C6 | C7 | O7C | C7B | 171.0° | 0.0° |
| O7C | C7 | C6 | C5 | 179.9° | 179.9° |
| O7C | C7 | C6 | H6 | 0.1° | 0.2° |
| C7 | O7C | C7B | C1B | 165.9° | 180.0° |
| C7 | O7C | C7B | H7B1 | 74.1° | 60.0° |
| C7 | O7C | C7B | H7B2 | 44.2° | 60.0° |
| H6 | C6 | C5 | H5 | 0.3° | 0.1° |
| O7C | C7B | C1B | H7B1 | 120.0° | 120.0° |
| O7C | C7B | C1B | H7B2 | 121.6° | 120.1° |
| O7C | C7B | H7B1 | H7B2 | 121.8° | 120.1° |
| O7C | C7B | C1B | C6B | 124.2° | 90.0° |
| O7C | C7B | C1B | C2B | 54.7° | 90.3° |
| C1B | C7B | H7B1 | H7B2 | 121.8° | 120.0° |
| C7B | C1B | C6B | C2B | 178.9° | 179.7° |
| C7B | C1B | C6B | C5B | 178.4° | 180.0° |
| C7B | C1B | C6B | H6B | 1.6° | 0.0° |
| C7B | C1B | C2B | C3B | 179.0° | 179.8° |
| C7B | C1B | C2B | H2B | 0.9° | 0.0° |
| H7B1 | C7B | C1B | C6B | 4.2° | 30.0° |
| H7B1 | C7B | C1B | C2B | 174.7° | 149.7° |
| H7B2 | C7B | C1B | C6B | 114.1° | 150.0° |
| H7B2 | C7B | C1B | C2B | 67.0° | 29.8° |
| C1B | C6B | C5B | H6B | 180.0° | 179.9° |
| C1B | C6B | C5B | C4B | 0.3° | 0.0° |
| C1B | C6B | C5B | H5B | 179.7° | 179.9° |
| C6B | C1B | C2B | C3B | 0.1° | 0.5° |
| C6B | C1B | C2B | H2B | 179.9° | 179.7° |
| C2B | C1B | C6B | C5B | 0.5° | 0.2° |
| C2B | C1B | C6B | H6B | 179.5° | 179.7° |
| C1B | C2B | C3B | C4B | 1.0° | 0.5° |
| C1B | C2B | C3B | CL3 | 179.9° | 179.8° |
| C1B | C2B | C3B | H2B | 180.0° | 179.8° |
| C6B | C5B | C4B | H5B | 180.0° | 179.9° |
| C6B | C5B | C4B | C3B | 0.6° | 0.1° |
| C6B | C5B | C4B | H4B | 179.4° | 180.0° |
| H6B | C6B | C5B | C4B | 179.7° | 180.0° |
| H6B | C6B | C5B | H5B | 0.3° | 0.1° |
| C5B | C4B | C3B | H4B | 180.0° | 180.0° |
| C5B | C4B | C3B | CL3 | 179.9° | 179.9° |
| C5B | C4B | C3B | C2B | 1.2° | 0.2° |
| H5B | C5B | C4B | C3B | 179.4° | 180.0° |
| H5B | C5B | C4B | H4B | 0.6° | 0.1° |
| C4B | C3B | CL3 | C2B | 178.9° | 179.7° |
| C4B | C3B | C2B | H2B | 179.0° | 179.8° |
| H4B | C4B | C3B | CL3 | 0.1° | 0.0° |
| H4B | C4B | C3B | C2B | 178.8° | 179.7° |
| CL3 | C3B | C2B | H2B | 0.1° | 0.0° |
