C18
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2C | C2 | doub | 1.22Å | 1.25Å | |
| C2 | C3 | sing | 1.41Å | 1.39Å | |
| C2 | O1 | sing | 1.34Å | 1.39Å | |
| O1 | C9 | sing | 1.35Å | 1.40Å | |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C4 | sing | 1.46Å | 1.41Å | |
| C4 | C4C | sing | 1.51Å | 1.51Å | |
| C4 | C3 | doub | 1.36Å | 1.39Å | |
| N4C | C4N | sing | 1.47Å | 1.45Å | |
| N4C | H4C | sing | 1.01Å | 1.00Å | |
| N4C | C4C | sing | 1.47Å | 1.44Å | |
| C4C | H4C1 | sing | 1.09Å | 1.10Å | |
| C4C | H4C2 | sing | 1.09Å | 1.10Å | |
| C4N | H4N1 | sing | 1.09Å | 1.10Å | |
| C4N | H4N2 | sing | 1.09Å | 1.10Å | |
| C4N | H4N3 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | O7C | sing | 1.36Å | 1.39Å | |
| C7 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | doub | 1.37Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O7C | C7B | sing | 1.43Å | 1.38Å | |
| C7B | C1B | sing | 1.51Å | 1.51Å | |
| C7B | H7B1 | sing | 1.09Å | 1.10Å | |
| C7B | H7B2 | sing | 1.09Å | 1.10Å | |
| C1B | C2B | sing | 1.38Å | 1.40Å | Aromatic |
| C1B | C6B | doub | 1.38Å | 1.40Å | Aromatic |
| C6B | C5B | sing | 1.38Å | 1.40Å | Aromatic |
| C6B | H6B | sing | 1.08Å | 1.08Å | |
| C5B | C4B | doub | 1.38Å | 1.40Å | Aromatic |
| C5B | H5B | sing | 1.08Å | 1.08Å | |
| C4B | C3B | sing | 1.38Å | 1.40Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| C3B | CL3 | sing | 1.74Å | 1.34Å | |
| C3B | C2B | doub | 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 | C3 | 120.3° | 119.2° |
| O2C | C2 | O1 | 120.2° | 119.2° |
| C3 | C2 | O1 | 119.5° | 121.7° |
| C2 | C3 | C4 | 120.6° | 119.8° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| C2 | O1 | C9 | 120.4° | 121.5° |
| O1 | C9 | C8 | 118.8° | 120.8° |
| O1 | C9 | C10 | 120.7° | 119.9° |
| C8 | C9 | C10 | 120.5° | 119.4° |
| C9 | C8 | C7 | 121.0° | 119.8° |
| C9 | C8 | H8 | 119.5° | 120.1° |
| C9 | C10 | C5 | 118.3° | 120.1° |
| C9 | C10 | C4 | 118.4° | 118.9° |
| C5 | C10 | C4 | 123.3° | 121.0° |
| C10 | C5 | C6 | 121.3° | 119.8° |
| C10 | C5 | H5 | 119.4° | 120.1° |
| C10 | C4 | C4C | 124.7° | 120.9° |
| C10 | C4 | C3 | 120.5° | 118.2° |
| C4C | C4 | C3 | 114.8° | 120.9° |
| C4 | C4C | N4C | 114.1° | 109.5° |
| C4 | C4C | H4C1 | 107.9° | 109.5° |
| C4 | C4C | H4C2 | 106.9° | 109.5° |
| C4 | C3 | H3 | 119.7° | 120.1° |
| C4N | N4C | H4C | 105.9° | 111.0° |
| C4N | N4C | C4C | 120.7° | 111.0° |
| N4C | C4N | H4N1 | 109.5° | 109.4° |
| N4C | C4N | H4N2 | 109.5° | 109.4° |
| N4C | C4N | H4N3 | 109.5° | 109.5° |
| H4C | N4C | C4C | 105.9° | 111.0° |
| N4C | C4C | H4C1 | 107.9° | 109.4° |
| N4C | C4C | H4C2 | 106.9° | 109.5° |
| H4C1 | C4C | H4C2 | 113.2° | 109.5° |
| H4N1 | C4N | H4N2 | 109.5° | 109.5° |
| H4N1 | C4N | H4N3 | 109.4° | 109.5° |
| H4N2 | C4N | H4N3 | 109.5° | 109.5° |
| C7 | C8 | H8 | 119.5° | 120.1° |
| C8 | C7 | O7C | 120.6° | 119.7° |
| C8 | C7 | C6 | 119.0° | 120.6° |
| O7C | C7 | C6 | 120.4° | 119.7° |
| C7 | O7C | C7B | 123.2° | 117.0° |
| C7 | C6 | H6 | 120.0° | 119.8° |
| C7 | C6 | C5 | 120.0° | 120.4° |
| H6 | C6 | C5 | 120.0° | 119.8° |
| C6 | C5 | H5 | 119.3° | 120.1° |
| O7C | C7B | C1B | 107.3° | 109.4° |
| O7C | C7B | H7B1 | 110.2° | 109.4° |
| O7C | C7B | H7B2 | 110.7° | 109.5° |
| C1B | C7B | H7B1 | 110.2° | 109.4° |
| C1B | C7B | H7B2 | 110.7° | 109.5° |
| C7B | C1B | C2B | 119.0° | 120.0° |
| C7B | C1B | C6B | 120.7° | 120.0° |
| H7B1 | C7B | H7B2 | 107.8° | 109.5° |
| C2B | C1B | C6B | 120.3° | 120.0° |
| C1B | C2B | C3B | 120.9° | 120.0° |
| C1B | C2B | H2B | 119.5° | 120.0° |
| C1B | C6B | C5B | 119.1° | 120.0° |
| C1B | C6B | H6B | 120.4° | 120.0° |
| C5B | C6B | H6B | 120.4° | 120.0° |
| C6B | C5B | C4B | 120.3° | 120.0° |
| C6B | C5B | H5B | 119.8° | 120.0° |
| C4B | C5B | H5B | 119.9° | 120.0° |
| C5B | C4B | C3B | 120.5° | 120.0° |
| C5B | C4B | H4B | 119.8° | 120.0° |
| C3B | C4B | H4B | 119.8° | 120.0° |
| C4B | C3B | CL3 | 120.9° | 120.0° |
| C4B | C3B | C2B | 118.8° | 119.9° |
| CL3 | C3B | C2B | 120.2° | 120.0° |
| C3B | C2B | H2B | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2C | C2 | C3 | O1 | 179.6° | 179.7° |
| O2C | C2 | O1 | C9 | 179.9° | 180.0° |
| O2C | C2 | C3 | C4 | 179.9° | 179.8° |
| O2C | C2 | C3 | H3 | 0.1° | 0.0° |
| C3 | C2 | O1 | C9 | 0.5° | 0.3° |
| C2 | C3 | C4 | C10 | 0.2° | 0.5° |
| C2 | C3 | C4 | C4C | 179.5° | 179.8° |
| C2 | C3 | C4 | H3 | 180.0° | 179.7° |
| C2 | O1 | C9 | C8 | 179.9° | 180.0° |
| C2 | O1 | C9 | C10 | 0.4° | 0.1° |
| O1 | C2 | C3 | C4 | 0.4° | 0.6° |
| O1 | C2 | C3 | H3 | 179.7° | 179.7° |
| O1 | C9 | C8 | C10 | 179.4° | 180.0° |
| O1 | C9 | C10 | C5 | 179.7° | 180.0° |
| O1 | C9 | C10 | C4 | 0.2° | 0.0° |
| O1 | C9 | C8 | C7 | 179.6° | 180.0° |
| O1 | C9 | C8 | H8 | 0.4° | 0.0° |
| C8 | C9 | C10 | C5 | 0.3° | 0.0° |
| C8 | C9 | C10 | C4 | 179.7° | 180.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | O7C | 179.1° | 180.0° |
| C9 | C8 | C7 | C6 | 0.8° | 0.0° |
| C9 | C10 | C5 | C4 | 179.9° | 179.9° |
| C9 | C10 | C4 | C4C | 179.4° | 180.0° |
| C9 | C10 | C4 | C3 | 0.1° | 0.3° |
| C10 | C9 | C8 | C7 | 0.9° | 0.0° |
| C10 | C9 | C8 | H8 | 179.1° | 180.0° |
| C9 | C10 | C5 | C6 | 0.6° | 0.0° |
| C9 | C10 | C5 | H5 | 179.4° | 180.0° |
| C5 | C10 | C4 | C4C | 0.6° | 0.1° |
| C5 | C10 | C4 | C3 | 179.8° | 179.8° |
| C10 | C5 | C6 | C7 | 0.7° | 0.0° |
| C10 | C5 | C6 | H6 | 179.3° | 180.0° |
| C10 | C5 | C6 | H5 | 180.0° | 180.0° |
| C10 | C4 | C4C | C3 | 179.3° | 179.7° |
| C10 | C4 | C4C | N4C | 8.3° | 85.0° |
| C10 | C4 | C4C | H4C1 | 128.2° | 35.0° |
| C10 | C4 | C4C | H4C2 | 109.7° | 155.0° |
| C10 | C4 | C3 | H3 | 179.8° | 179.7° |
| C4 | C10 | C5 | C6 | 179.5° | 180.0° |
| C4 | C10 | C5 | H5 | 0.5° | 0.0° |
| C4 | C4C | N4C | C4N | 95.8° | 180.0° |
| C4 | C4C | N4C | H4C | 144.2° | 56.0° |
| C4 | C4C | N4C | H4C1 | 120.0° | 120.0° |
| C4 | C4C | N4C | H4C2 | 118.0° | 120.0° |
| C4 | C4C | H4C1 | H4C2 | 118.1° | 120.0° |
| C4C | C4 | C3 | H3 | 0.5° | 0.0° |
| C3 | C4 | C4C | N4C | 172.4° | 95.3° |
| C3 | C4 | C4C | H4C1 | 52.4° | 144.7° |
| C3 | C4 | C4C | H4C2 | 69.6° | 24.7° |
| C4N | N4C | H4C | C4C | 129.3° | 124.0° |
| C4N | N4C | C4C | H4C1 | 144.2° | 60.0° |
| C4N | N4C | C4C | H4C2 | 22.1° | 60.0° |
| N4C | C4N | H4N1 | H4N2 | 120.0° | 120.0° |
| N4C | C4N | H4N1 | H4N3 | 120.0° | 120.0° |
| N4C | C4N | H4N2 | H4N3 | 120.0° | 120.0° |
| H4C | N4C | C4C | H4C1 | 24.2° | 64.0° |
| H4C | N4C | C4C | H4C2 | 97.9° | 176.0° |
| H4C | N4C | C4N | H4N1 | 29.4° | 64.0° |
| H4C | N4C | C4N | H4N2 | 149.4° | 176.0° |
| H4C | N4C | C4N | H4N3 | 90.6° | 56.0° |
| N4C | C4C | H4C1 | H4C2 | 118.1° | 120.0° |
| C4C | N4C | C4N | H4N1 | 90.6° | 60.1° |
| C4C | N4C | C4N | H4N2 | 29.4° | 60.0° |
| C4C | N4C | C4N | H4N3 | 149.4° | 180.0° |
| H4N1 | C4N | H4N2 | H4N3 | 119.9° | 120.1° |
| C8 | C7 | O7C | C6 | 179.8° | 180.0° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C8 | C7 | O7C | C7B | 8.7° | 180.0° |
| H8 | C8 | C7 | O7C | 0.9° | 0.0° |
| H8 | C8 | C7 | C6 | 179.2° | 180.0° |
| O7C | C7 | C6 | H6 | 0.1° | 0.0° |
| O7C | C7 | C6 | C5 | 179.9° | 180.0° |
| C7 | O7C | C7B | C1B | 163.5° | 180.0° |
| C7 | O7C | C7B | H7B1 | 76.5° | 60.1° |
| C7 | O7C | C7B | H7B2 | 42.7° | 60.0° |
| C7 | C6 | H6 | C5 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 179.3° | 180.0° |
| C6 | C7 | O7C | C7B | 171.1° | 0.0° |
| H6 | C6 | C5 | H5 | 0.7° | 0.1° |
| O7C | C7B | C1B | H7B1 | 120.0° | 119.9° |
| O7C | C7B | C1B | H7B2 | 120.8° | 120.0° |
| O7C | C7B | H7B1 | H7B2 | 120.9° | 120.1° |
| O7C | C7B | C1B | C2B | 53.6° | 90.0° |
| O7C | C7B | C1B | C6B | 125.4° | 89.7° |
| C1B | C7B | H7B1 | H7B2 | 120.9° | 120.0° |
| C7B | C1B | C2B | C6B | 178.9° | 179.7° |
| C7B | C1B | C6B | C5B | 178.9° | 180.0° |
| C7B | C1B | C6B | H6B | 1.2° | 0.1° |
| C7B | C1B | C2B | C3B | 179.6° | 179.7° |
| C7B | C1B | C2B | H2B | 0.5° | 0.1° |
| H7B1 | C7B | C1B | C2B | 173.6° | 30.0° |
| H7B1 | C7B | C1B | C6B | 5.4° | 150.3° |
| H7B2 | C7B | C1B | C2B | 67.3° | 150.0° |
| H7B2 | C7B | C1B | C6B | 113.8° | 30.3° |
| C2B | C1B | C6B | C5B | 0.1° | 0.3° |
| C2B | C1B | C6B | H6B | 179.9° | 179.8° |
| C1B | C2B | C3B | C4B | 0.8° | 0.6° |
| C1B | C2B | C3B | CL3 | 179.7° | 179.7° |
| C1B | C2B | C3B | H2B | 180.0° | 179.6° |
| C1B | C6B | C5B | H6B | 180.0° | 179.9° |
| C1B | C6B | C5B | C4B | 0.6° | 0.0° |
| C1B | C6B | C5B | H5B | 179.4° | 180.0° |
| C6B | C1B | C2B | C3B | 0.6° | 0.6° |
| C6B | C1B | C2B | H2B | 179.4° | 179.8° |
| C6B | C5B | C4B | H5B | 180.0° | 180.0° |
| C6B | C5B | C4B | C3B | 0.4° | 0.0° |
| C6B | C5B | C4B | H4B | 179.6° | 180.0° |
| H6B | C6B | C5B | C4B | 179.4° | 179.9° |
| H6B | C6B | C5B | H5B | 0.6° | 0.0° |
| C5B | C4B | C3B | H4B | 180.0° | 180.0° |
| C5B | C4B | C3B | CL3 | 179.8° | 180.0° |
| C5B | C4B | C3B | C2B | 0.3° | 0.3° |
| H5B | C5B | C4B | C3B | 179.6° | 180.0° |
| H5B | C5B | C4B | H4B | 0.4° | 0.0° |
| C4B | C3B | CL3 | C2B | 179.6° | 179.7° |
| C4B | C3B | C2B | H2B | 179.2° | 179.8° |
| H4B | C4B | C3B | CL3 | 0.2° | 0.0° |
| H4B | C4B | C3B | C2B | 179.8° | 179.8° |
| CL3 | C3B | C2B | H2B | 0.3° | 0.1° |
