7N4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | B02 | sing | 1.42Å | 1.42Å | |
| B02 | C04 | sing | 1.57Å | 1.67Å | |
| C05 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.37Å | Aromatic |
| C04 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C17 | doub | 1.38Å | 1.35Å | Aromatic |
| C15 | F16 | sing | 1.35Å | 1.34Å | |
| C15 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.34Å | Aromatic |
| C07 | C17 | sing | 1.39Å | 1.42Å | Aromatic |
| C07 | O08 | sing | 1.36Å | 1.47Å | |
| C17 | CL | sing | 1.74Å | 1.78Å | |
| C10 | C09 | sing | 1.51Å | 1.55Å | |
| O08 | C09 | sing | 1.43Å | 1.46Å | |
| B02 | H1 | sing | 1.17Å | 1.20Å | |
| O03 | H2 | sing | 0.97Å | 0.95Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | B02 | C04 | 116.7° | 120.0° |
| O03 | B02 | H1 | 121.6° | 120.0° |
| B02 | O03 | H2 | 109.5° | 114.0° |
| B02 | C04 | C05 | 119.9° | 120.1° |
| B02 | C04 | C19 | 118.8° | 120.0° |
| C04 | B02 | H1 | 121.6° | 120.0° |
| C04 | C05 | C06 | 119.3° | 119.9° |
| C05 | C04 | C19 | 121.3° | 119.9° |
| C04 | C05 | H3 | 120.3° | 120.0° |
| C05 | C06 | C07 | 120.2° | 120.1° |
| C06 | C05 | H3 | 120.3° | 120.1° |
| C05 | C06 | H4 | 119.9° | 120.0° |
| C04 | C19 | C17 | 119.3° | 119.9° |
| C04 | C19 | H11 | 120.4° | 120.1° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C13 | C14 | C15 | 119.8° | 119.9° |
| C14 | C13 | H9 | 119.9° | 120.0° |
| C13 | C14 | H10 | 120.1° | 120.0° |
| C13 | C12 | C11 | 120.4° | 120.1° |
| C13 | C12 | H8 | 119.8° | 120.0° |
| C12 | C13 | H9 | 119.9° | 120.0° |
| C06 | C07 | C17 | 119.4° | 120.2° |
| C06 | C07 | O08 | 118.5° | 119.9° |
| C07 | C06 | H4 | 119.9° | 119.9° |
| C14 | C15 | F16 | 119.2° | 120.0° |
| C14 | C15 | C10 | 120.6° | 120.0° |
| C15 | C14 | H10 | 120.1° | 120.0° |
| C12 | C11 | C10 | 119.7° | 120.0° |
| C12 | C11 | H7 | 120.2° | 120.0° |
| C11 | C12 | H8 | 119.8° | 120.0° |
| C19 | C17 | C07 | 120.5° | 120.0° |
| C19 | C17 | CL | 116.0° | 120.0° |
| C17 | C19 | H11 | 120.3° | 120.0° |
| F16 | C15 | C10 | 120.2° | 120.0° |
| C15 | C10 | C11 | 119.5° | 120.0° |
| C15 | C10 | C09 | 121.1° | 120.0° |
| C11 | C10 | C09 | 119.4° | 120.0° |
| C10 | C11 | H7 | 120.2° | 120.0° |
| C17 | C07 | O08 | 122.1° | 119.9° |
| C07 | C17 | CL | 123.6° | 120.0° |
| C07 | O08 | C09 | 114.8° | 117.0° |
| C10 | C09 | O08 | 110.5° | 109.4° |
| C10 | C09 | H5 | 109.2° | 109.5° |
| C10 | C09 | H6 | 109.2° | 109.4° |
| O08 | C09 | H5 | 109.2° | 109.5° |
| O08 | C09 | H6 | 109.2° | 109.5° |
| H5 | C09 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | B02 | C04 | H1 | 180.0° | 179.7° |
| O03 | B02 | C04 | C05 | 36.6° | 0.0° |
| O03 | B02 | C04 | C19 | 142.6° | 179.7° |
| B02 | C04 | C05 | C19 | 179.2° | 179.7° |
| B02 | C04 | C05 | C06 | 179.8° | 180.0° |
| B02 | C04 | C19 | C17 | 179.8° | 179.8° |
| C04 | B02 | O03 | H2 | 180.0° | 180.0° |
| B02 | C04 | C05 | H3 | 0.3° | 0.0° |
| B02 | C04 | C19 | H11 | 0.2° | 0.0° |
| C04 | C05 | C06 | H3 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C05 | C04 | C19 | C17 | 0.6° | 0.5° |
| C05 | C04 | B02 | H1 | 143.4° | 179.7° |
| C04 | C05 | C06 | H4 | 179.9° | 180.0° |
| C05 | C04 | C19 | H11 | 179.4° | 179.7° |
| C06 | C05 | C04 | C19 | 0.6° | 0.2° |
| C05 | C06 | C07 | H4 | 180.0° | 179.9° |
| C05 | C06 | C07 | C17 | 0.2° | 0.0° |
| C05 | C06 | C07 | O08 | 179.8° | 180.0° |
| C04 | C19 | C17 | H11 | 180.0° | 179.8° |
| C04 | C19 | C17 | C07 | 0.2° | 0.5° |
| C04 | C19 | C17 | CL | 179.5° | 179.7° |
| C19 | C04 | B02 | H1 | 37.4° | 0.0° |
| C19 | C04 | C05 | H3 | 179.5° | 179.8° |
| C14 | C13 | C12 | H9 | 180.0° | 179.9° |
| C13 | C14 | C15 | H10 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 0.2° | 0.1° |
| C13 | C14 | C15 | F16 | 179.8° | 180.0° |
| C13 | C14 | C15 | C10 | 0.2° | 0.5° |
| C14 | C13 | C12 | H8 | 179.8° | 179.9° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C13 | C12 | C11 | H8 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 0.3° | 0.1° |
| C13 | C12 | C11 | H7 | 179.7° | 180.0° |
| C12 | C13 | C14 | H10 | 179.8° | 180.0° |
| C06 | C07 | C17 | C19 | 0.2° | 0.2° |
| C06 | C07 | C17 | O08 | 180.0° | 180.0° |
| C06 | C07 | C17 | CL | 179.9° | 180.0° |
| C06 | C07 | O08 | C09 | 29.9° | 0.0° |
| C07 | C06 | C05 | H3 | 179.9° | 180.0° |
| C14 | C15 | F16 | C10 | 180.0° | 179.5° |
| C14 | C15 | C10 | C11 | 0.2° | 0.5° |
| C14 | C15 | C10 | C09 | 179.7° | 179.8° |
| C15 | C14 | C13 | H9 | 179.9° | 180.0° |
| C12 | C11 | C10 | C15 | 0.3° | 0.2° |
| C12 | C11 | C10 | H7 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 179.7° | 179.9° |
| C11 | C12 | C13 | H9 | 179.8° | 179.7° |
| C19 | C17 | C07 | CL | 179.8° | 179.8° |
| C19 | C17 | C07 | O08 | 179.9° | 179.8° |
| F16 | C15 | C10 | C11 | 179.8° | 180.0° |
| F16 | C15 | C10 | C09 | 0.3° | 0.3° |
| F16 | C15 | C14 | H10 | 0.2° | 0.2° |
| C15 | C10 | C11 | C09 | 179.9° | 179.7° |
| C15 | C10 | C09 | O08 | 35.8° | 179.7° |
| C15 | C10 | C09 | H5 | 84.3° | 59.7° |
| C15 | C10 | C09 | H6 | 156.0° | 60.3° |
| C15 | C10 | C11 | H7 | 179.7° | 179.7° |
| C10 | C15 | C14 | H10 | 179.8° | 179.7° |
| C11 | C10 | C09 | O08 | 144.1° | 0.0° |
| C11 | C10 | C09 | H5 | 95.7° | 120.0° |
| C11 | C10 | C09 | H6 | 23.9° | 120.0° |
| C10 | C11 | C12 | H8 | 179.7° | 180.0° |
| C17 | C07 | O08 | C09 | 150.1° | 180.0° |
| C17 | C07 | C06 | H4 | 179.7° | 180.0° |
| C07 | C17 | C19 | H11 | 179.8° | 179.7° |
| O08 | C07 | C17 | CL | 0.1° | 0.0° |
| C07 | O08 | C09 | C10 | 92.1° | 180.0° |
| O08 | C07 | C06 | H4 | 0.2° | 0.0° |
| C07 | O08 | C09 | H5 | 147.7° | 60.0° |
| C07 | O08 | C09 | H6 | 28.1° | 60.0° |
| CL | C17 | C19 | H11 | 0.5° | 0.0° |
| C10 | C09 | O08 | H5 | 120.2° | 120.0° |
| C10 | C09 | O08 | H6 | 120.2° | 119.9° |
| C10 | C09 | H5 | H6 | 119.5° | 120.0° |
| C09 | C10 | C11 | H7 | 0.3° | 0.0° |
| O08 | C09 | H5 | H6 | 119.5° | 120.0° |
| H1 | B02 | O03 | H2 | 0.0° | 0.3° |
| H3 | C05 | C06 | H4 | 0.1° | 0.0° |
| H7 | C11 | C12 | H8 | 0.3° | 0.0° |
| H8 | C12 | C13 | H9 | 0.2° | 0.2° |
| H9 | C13 | C14 | H10 | 0.1° | 0.2° |
