7PN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C9 | sing | 1.54Å | 1.53Å | |
| C7 | C3 | sing | 1.51Å | 1.51Å | |
| C8 | C3 | doub | 1.36Å | 1.44Å | Aromatic |
| C8 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C9 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C1 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | C5 | doub | 1.37Å | 1.46Å | Aromatic |
| C1 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.37Å | Aromatic |
| C4 | C10 | sing | 1.36Å | 1.37Å | Aromatic |
| C5 | C2 | sing | 1.40Å | 1.46Å | Aromatic |
| C2 | C6 | doub | 1.41Å | 1.38Å | Aromatic |
| C10 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.39Å | 1.44Å | |
| N1 | C13 | sing | 1.35Å | 1.44Å | |
| C13 | C14 | sing | 1.48Å | 1.52Å | |
| C13 | O1 | doub | 1.22Å | 1.18Å | |
| C14 | C19 | doub | 1.40Å | 1.31Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.52Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.52Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.31Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.31Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.52Å | Aromatic |
| C17 | F1 | sing | 1.35Å | 1.36Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C7 | C3 | 105.2° | 105.3° |
| C7 | C9 | C4 | 105.3° | 105.3° |
| C9 | C7 | H2 | 110.5° | 110.3° |
| C9 | C7 | H3 | 110.5° | 110.3° |
| C7 | C9 | H5 | 110.5° | 110.3° |
| C7 | C9 | H6 | 110.5° | 110.3° |
| C7 | C3 | C8 | 132.9° | 134.6° |
| C7 | C3 | C1 | 108.6° | 107.5° |
| C3 | C7 | H2 | 110.5° | 110.3° |
| C3 | C7 | H3 | 110.5° | 110.3° |
| C3 | C8 | C11 | 119.7° | 120.4° |
| C8 | C3 | C1 | 118.5° | 118.0° |
| C3 | C8 | H4 | 120.2° | 119.8° |
| C8 | C11 | C5 | 120.9° | 122.2° |
| C11 | C8 | H4 | 120.2° | 119.8° |
| C8 | C11 | H8 | 119.5° | 118.9° |
| C9 | C4 | C1 | 108.8° | 107.5° |
| C9 | C4 | C10 | 132.6° | 134.4° |
| C4 | C9 | H5 | 110.5° | 110.3° |
| C4 | C9 | H6 | 110.5° | 110.2° |
| C3 | C1 | C4 | 112.2° | 114.5° |
| C3 | C1 | C2 | 124.1° | 122.6° |
| C11 | C5 | C2 | 119.8° | 118.9° |
| C5 | C11 | H8 | 119.6° | 118.9° |
| C11 | C5 | H1 | 120.1° | 120.5° |
| C4 | C1 | C2 | 123.7° | 122.9° |
| C1 | C4 | C10 | 118.6° | 118.2° |
| C1 | C2 | C5 | 117.0° | 117.9° |
| C1 | C2 | C6 | 117.4° | 117.8° |
| C4 | C10 | C12 | 119.3° | 120.4° |
| C4 | C10 | H7 | 120.4° | 119.8° |
| C5 | C2 | C6 | 125.6° | 124.2° |
| C2 | C5 | H1 | 120.1° | 120.6° |
| C2 | C6 | C12 | 119.9° | 118.5° |
| C2 | C6 | N1 | 118.7° | 120.8° |
| C10 | C12 | C6 | 121.0° | 122.1° |
| C12 | C10 | H7 | 120.3° | 119.8° |
| C10 | C12 | H9 | 119.5° | 118.9° |
| C12 | C6 | N1 | 121.4° | 120.7° |
| C6 | C12 | H9 | 119.5° | 119.0° |
| C6 | N1 | C13 | 118.4° | 120.0° |
| C6 | N1 | H10 | 120.8° | 119.9° |
| N1 | C13 | C14 | 119.6° | 120.0° |
| N1 | C13 | O1 | 119.9° | 120.0° |
| C13 | N1 | H10 | 120.8° | 120.0° |
| C14 | C13 | O1 | 120.5° | 120.0° |
| C13 | C14 | C19 | 118.1° | 120.1° |
| C13 | C14 | C15 | 121.4° | 120.1° |
| C19 | C14 | C15 | 120.5° | 119.7° |
| C14 | C19 | C18 | 119.9° | 119.9° |
| C14 | C19 | H14 | 120.1° | 120.0° |
| C14 | C15 | C16 | 119.7° | 119.9° |
| C14 | C15 | H11 | 120.2° | 120.1° |
| C19 | C18 | C17 | 119.7° | 120.1° |
| C19 | C18 | H13 | 120.1° | 119.9° |
| C18 | C19 | H14 | 120.0° | 120.1° |
| C15 | C16 | C17 | 119.8° | 120.1° |
| C16 | C15 | H11 | 120.2° | 120.0° |
| C15 | C16 | H12 | 120.1° | 119.9° |
| C18 | C17 | C16 | 120.4° | 120.3° |
| C18 | C17 | F1 | 119.1° | 119.9° |
| C17 | C18 | H13 | 120.1° | 120.0° |
| C16 | C17 | F1 | 120.5° | 119.9° |
| C17 | C16 | H12 | 120.1° | 120.0° |
| H2 | C7 | H3 | 109.5° | 110.3° |
| H5 | C9 | H6 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C7 | C3 | H2 | 119.3° | 118.9° |
| C9 | C7 | C3 | H3 | 119.3° | 118.9° |
| C9 | C7 | C3 | C8 | 180.0° | 180.0° |
| C7 | C9 | C4 | H5 | 119.3° | 119.0° |
| C7 | C9 | C4 | H6 | 119.3° | 118.9° |
| C9 | C7 | C3 | C1 | 0.3° | 0.0° |
| C7 | C9 | C4 | C1 | 0.4° | 0.1° |
| C7 | C9 | C4 | C10 | 179.9° | 179.9° |
| C9 | C7 | H2 | H3 | 122.0° | 122.0° |
| C7 | C9 | H5 | H6 | 121.9° | 122.0° |
| C7 | C3 | C8 | C1 | 179.7° | 180.0° |
| C7 | C3 | C8 | C11 | 179.8° | 179.8° |
| C3 | C7 | C9 | C4 | 0.4° | 0.0° |
| C7 | C3 | C1 | C4 | 0.0° | 0.1° |
| C7 | C3 | C1 | C2 | 179.8° | 180.0° |
| C3 | C7 | H2 | H3 | 122.0° | 122.1° |
| C7 | C3 | C8 | H4 | 0.2° | 0.1° |
| C3 | C7 | C9 | H5 | 118.9° | 119.0° |
| C3 | C7 | C9 | H6 | 119.7° | 118.9° |
| C3 | C8 | C11 | H4 | 180.0° | 179.9° |
| C3 | C8 | C11 | C5 | 0.2° | 0.2° |
| C8 | C3 | C1 | C4 | 179.8° | 179.9° |
| C8 | C3 | C1 | C2 | 0.0° | 0.1° |
| C8 | C3 | C7 | H2 | 60.7° | 61.0° |
| C8 | C3 | C7 | H3 | 60.7° | 61.1° |
| C3 | C8 | C11 | H8 | 179.8° | 180.0° |
| C11 | C8 | C3 | C1 | 0.2° | 0.2° |
| C8 | C11 | C5 | H8 | 180.0° | 179.8° |
| C8 | C11 | C5 | C2 | 0.1° | 0.1° |
| C8 | C11 | C5 | H1 | 179.9° | 180.0° |
| C9 | C4 | C1 | C3 | 0.2° | 0.1° |
| C9 | C4 | C1 | C10 | 179.6° | 179.9° |
| C9 | C4 | C1 | C2 | 179.9° | 180.0° |
| C9 | C4 | C10 | C12 | 179.7° | 179.9° |
| C4 | C9 | C7 | H2 | 118.9° | 118.9° |
| C4 | C9 | C7 | H3 | 119.7° | 119.0° |
| C4 | C9 | H5 | H6 | 122.0° | 122.1° |
| C9 | C4 | C10 | H7 | 0.3° | 0.1° |
| C3 | C1 | C4 | C2 | 179.8° | 180.0° |
| C3 | C1 | C4 | C10 | 179.8° | 180.0° |
| C3 | C1 | C2 | C5 | 0.0° | 0.3° |
| C3 | C1 | C2 | C6 | 179.7° | 180.0° |
| C1 | C3 | C7 | H2 | 119.0° | 118.9° |
| C1 | C3 | C7 | H3 | 119.6° | 118.9° |
| C1 | C3 | C8 | H4 | 179.9° | 180.0° |
| C11 | C5 | C2 | C1 | 0.0° | 0.3° |
| C11 | C5 | C2 | H1 | 180.0° | 179.9° |
| C11 | C5 | C2 | C6 | 179.7° | 180.0° |
| C5 | C11 | C8 | H4 | 179.8° | 180.0° |
| C4 | C1 | C2 | C5 | 179.9° | 179.7° |
| C4 | C1 | C2 | C6 | 0.4° | 0.0° |
| C1 | C4 | C10 | C12 | 0.2° | 0.1° |
| C1 | C4 | C9 | H5 | 118.9° | 118.9° |
| C1 | C4 | C9 | H6 | 119.7° | 119.0° |
| C1 | C4 | C10 | H7 | 179.7° | 180.0° |
| C2 | C1 | C4 | C10 | 0.3° | 0.1° |
| C1 | C2 | C5 | C6 | 179.7° | 179.6° |
| C1 | C2 | C6 | C12 | 0.4° | 0.0° |
| C1 | C2 | C6 | N1 | 179.7° | 180.0° |
| C1 | C2 | C5 | H1 | 180.0° | 179.7° |
| C4 | C10 | C12 | H7 | 180.0° | 180.0° |
| C4 | C10 | C12 | C6 | 0.3° | 0.0° |
| C10 | C4 | C9 | H5 | 60.6° | 61.0° |
| C10 | C4 | C9 | H6 | 60.8° | 61.2° |
| C4 | C10 | C12 | H9 | 179.7° | 180.0° |
| C5 | C2 | C6 | C12 | 179.9° | 179.7° |
| C5 | C2 | C6 | N1 | 0.7° | 0.4° |
| C2 | C5 | C11 | H8 | 179.9° | 179.7° |
| C2 | C6 | C12 | C10 | 0.4° | 0.0° |
| C2 | C6 | C12 | N1 | 179.2° | 179.9° |
| C2 | C6 | N1 | C13 | 104.8° | 145.3° |
| C2 | C6 | N1 | H10 | 75.3° | 34.9° |
| C2 | C6 | C12 | H9 | 179.6° | 180.0° |
| C6 | C2 | C5 | H1 | 0.3° | 0.1° |
| C10 | C12 | C6 | H9 | 180.0° | 180.0° |
| C10 | C12 | C6 | N1 | 179.6° | 180.0° |
| C12 | C6 | N1 | C13 | 74.5° | 34.6° |
| C12 | C6 | N1 | H10 | 105.5° | 145.2° |
| C6 | C12 | C10 | H7 | 179.7° | 180.0° |
| C6 | N1 | C13 | H10 | 180.0° | 179.8° |
| C6 | N1 | C13 | C14 | 178.9° | 175.8° |
| C6 | N1 | C13 | O1 | 0.2° | 4.2° |
| N1 | C6 | C12 | H9 | 0.4° | 0.1° |
| N1 | C13 | C14 | O1 | 179.0° | 180.0° |
| N1 | C13 | C14 | C19 | 82.7° | 180.0° |
| N1 | C13 | C14 | C15 | 97.4° | 0.0° |
| C13 | C14 | C19 | C15 | 179.9° | 180.0° |
| C13 | C14 | C19 | C18 | 180.0° | 179.5° |
| C13 | C14 | C15 | C16 | 179.9° | 180.0° |
| C14 | C13 | N1 | H10 | 1.1° | 4.4° |
| C13 | C14 | C15 | H11 | 0.1° | 0.3° |
| C13 | C14 | C19 | H14 | 0.1° | 0.3° |
| O1 | C13 | C14 | C19 | 96.4° | 0.0° |
| O1 | C13 | C14 | C15 | 83.5° | 180.0° |
| O1 | C13 | N1 | H10 | 179.8° | 175.6° |
| C14 | C19 | C18 | H14 | 180.0° | 179.2° |
| C19 | C14 | C15 | C16 | 0.2° | 0.0° |
| C14 | C19 | C18 | C17 | 0.0° | 0.8° |
| C19 | C14 | C15 | H11 | 179.8° | 179.7° |
| C14 | C19 | C18 | H13 | 180.0° | 179.7° |
| C15 | C14 | C19 | C18 | 0.1° | 0.5° |
| C14 | C15 | C16 | H11 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.1° | 0.2° |
| C15 | C14 | C19 | H14 | 179.8° | 179.7° |
| C14 | C15 | C16 | H12 | 179.9° | 179.8° |
| C19 | C18 | C17 | H13 | 180.0° | 179.4° |
| C19 | C18 | C17 | C16 | 0.0° | 0.6° |
| C19 | C18 | C17 | F1 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C15 | C16 | C17 | H12 | 180.0° | 180.0° |
| C15 | C16 | C17 | F1 | 179.9° | 179.5° |
| C18 | C17 | C16 | F1 | 179.9° | 179.4° |
| C17 | C18 | C19 | H14 | 179.9° | 180.0° |
| C18 | C17 | C16 | H12 | 180.0° | 179.9° |
| C17 | C16 | C15 | H11 | 179.9° | 180.0° |
| C16 | C17 | C18 | H13 | 180.0° | 180.0° |
| F1 | C17 | C18 | H13 | 0.1° | 0.6° |
| F1 | C17 | C16 | H12 | 0.1° | 0.5° |
| H2 | C7 | C9 | H5 | 121.8° | 122.1° |
| H2 | C7 | C9 | H6 | 0.4° | 0.0° |
| H3 | C7 | C9 | H5 | 0.4° | 0.0° |
| H3 | C7 | C9 | H6 | 120.9° | 122.1° |
| H4 | C8 | C11 | H8 | 0.2° | 0.2° |
| H7 | C10 | C12 | H9 | 0.3° | 0.0° |
| H8 | C11 | C5 | H1 | 0.1° | 0.2° |
| H11 | C15 | C16 | H12 | 0.1° | 0.1° |
| H13 | C18 | C19 | H14 | 0.1° | 0.6° |
