RR0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.38Å | Aromatic |
| CL | C12 | sing | 1.74Å | 1.74Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | O1 | sing | 1.39Å | 1.38Å | |
| C15 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.37Å | 1.39Å | Aromatic |
| O1 | C8 | sing | 1.44Å | 1.45Å | |
| C10 | C6 | sing | 1.52Å | 1.53Å | |
| C8 | C7 | sing | 1.54Å | 1.54Å | |
| C8 | C9 | sing | 1.54Å | 1.54Å | |
| C7 | C6 | sing | 1.55Å | 1.56Å | |
| C6 | C9 | sing | 1.54Å | 1.56Å | |
| C6 | C5 | sing | 1.51Å | 1.54Å | |
| C5 | O | doub | 1.21Å | 1.22Å | |
| C5 | N | sing | 1.35Å | 1.35Å | |
| N | C4 | sing | 1.40Å | 1.41Å | |
| C16 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.43Å | Aromatic |
| N1 | C17 | doub | 1.31Å | 1.32Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C18 | sing | 1.42Å | 1.42Å | Aromatic |
| C2 | C1 | sing | 1.36Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.42Å | Aromatic |
| C1 | C | doub | 1.40Å | 1.38Å | Aromatic |
| C19 | C | sing | 1.36Å | 1.35Å | Aromatic |
| C | F | sing | 1.35Å | 1.36Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 119.3° | 119.9° |
| C13 | C14 | C15 | 118.9° | 119.5° |
| C14 | C13 | H4 | 120.4° | 119.8° |
| C13 | C14 | H7 | 120.5° | 120.3° |
| C13 | C12 | CL | 119.4° | 119.9° |
| C13 | C12 | C11 | 121.8° | 120.1° |
| C12 | C13 | H4 | 120.3° | 120.3° |
| CL | C12 | C11 | 118.7° | 119.9° |
| C14 | C15 | O1 | 117.5° | 122.7° |
| C14 | C15 | C10 | 121.7° | 120.2° |
| C15 | C14 | H7 | 120.5° | 120.2° |
| C12 | C11 | C10 | 119.2° | 119.2° |
| C12 | C11 | H6 | 120.4° | 120.4° |
| O1 | C15 | C10 | 120.7° | 117.0° |
| C15 | O1 | C8 | 111.6° | 116.2° |
| C15 | C10 | C11 | 119.0° | 121.0° |
| C15 | C10 | C6 | 117.4° | 116.0° |
| C11 | C10 | C6 | 123.6° | 123.0° |
| C10 | C11 | H6 | 120.4° | 120.4° |
| O1 | C8 | C7 | 108.5° | 113.1° |
| O1 | C8 | C9 | 109.1° | 111.1° |
| O1 | C8 | H3 | 116.7° | 114.4° |
| C10 | C6 | C7 | 100.4° | 108.5° |
| C10 | C6 | C9 | 101.6° | 109.9° |
| C10 | C6 | C5 | 116.3° | 115.7° |
| C7 | C8 | C9 | 89.1° | 85.1° |
| C8 | C7 | C6 | 87.3° | 85.5° |
| C8 | C7 | H1 | 114.7° | 113.9° |
| C8 | C7 | H2 | 114.7° | 114.0° |
| C7 | C8 | H3 | 115.0° | 114.8° |
| C8 | C9 | C6 | 87.3° | 85.7° |
| C9 | C8 | H3 | 115.1° | 114.9° |
| C8 | C9 | H8 | 114.7° | 113.9° |
| C8 | C9 | H9 | 114.7° | 113.8° |
| C7 | C6 | C9 | 87.5° | 84.4° |
| C7 | C6 | C5 | 123.6° | 117.2° |
| C6 | C7 | H1 | 114.7° | 113.9° |
| C6 | C7 | H2 | 114.7° | 113.8° |
| C9 | C6 | C5 | 121.7° | 117.1° |
| C6 | C9 | H8 | 114.7° | 113.8° |
| C6 | C9 | H9 | 114.7° | 113.8° |
| C6 | C5 | O | 120.7° | 120.0° |
| C6 | C5 | N | 115.8° | 120.0° |
| O | C5 | N | 122.3° | 120.0° |
| C5 | N | C4 | 126.6° | 120.0° |
| C5 | N | H10 | 116.7° | 120.0° |
| N | C4 | C16 | 124.3° | 120.8° |
| N | C4 | C3 | 118.4° | 120.7° |
| C4 | N | H10 | 116.7° | 120.0° |
| C4 | C16 | N1 | 125.1° | 121.6° |
| C16 | C4 | C3 | 117.3° | 118.4° |
| C4 | C16 | H11 | 117.5° | 119.2° |
| C16 | N1 | C17 | 117.6° | 122.9° |
| N1 | C16 | H11 | 117.4° | 119.2° |
| C4 | C3 | C2 | 123.7° | 122.2° |
| C4 | C3 | C18 | 118.2° | 118.2° |
| N1 | C17 | C18 | 124.2° | 120.2° |
| N1 | C17 | H5 | 117.9° | 119.9° |
| C2 | C3 | C18 | 118.2° | 119.7° |
| C3 | C2 | C1 | 121.0° | 119.5° |
| C3 | C2 | H13 | 119.5° | 120.2° |
| C3 | C18 | C17 | 117.6° | 118.7° |
| C3 | C18 | C19 | 119.5° | 119.3° |
| C2 | C1 | C | 119.1° | 120.9° |
| C1 | C2 | H13 | 119.5° | 120.2° |
| C2 | C1 | H14 | 120.4° | 119.5° |
| C17 | C18 | C19 | 122.9° | 122.0° |
| C18 | C17 | H5 | 117.9° | 119.9° |
| C18 | C19 | C | 118.5° | 119.5° |
| C18 | C19 | H12 | 120.8° | 120.3° |
| C1 | C | C19 | 123.7° | 121.1° |
| C1 | C | F | 118.1° | 119.4° |
| C | C1 | H14 | 120.4° | 119.6° |
| C19 | C | F | 118.2° | 119.5° |
| C | C19 | H12 | 120.7° | 120.3° |
| H1 | C7 | H2 | 109.5° | 113.1° |
| H8 | C9 | H9 | 109.5° | 113.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H4 | 180.0° | 177.0° |
| C14 | C13 | C12 | CL | 178.4° | 180.0° |
| C13 | C14 | C15 | H7 | 180.0° | 177.1° |
| C14 | C13 | C12 | C11 | 0.6° | 2.3° |
| C13 | C14 | C15 | O1 | 179.6° | 179.9° |
| C13 | C14 | C15 | C10 | 0.7° | 2.2° |
| C13 | C12 | CL | C11 | 179.0° | 177.7° |
| C12 | C13 | C14 | C15 | 0.4° | 3.0° |
| C13 | C12 | C11 | C10 | 1.4° | 0.8° |
| C13 | C12 | C11 | H6 | 178.6° | 179.2° |
| C12 | C13 | C14 | H7 | 179.6° | 180.0° |
| CL | C12 | C11 | C10 | 177.6° | 178.5° |
| CL | C12 | C13 | H4 | 1.7° | 3.0° |
| CL | C12 | C11 | H6 | 2.4° | 1.5° |
| C14 | C15 | O1 | C10 | 179.7° | 177.9° |
| C14 | C15 | C10 | C11 | 0.1° | 0.6° |
| C14 | C15 | O1 | C8 | 179.8° | 177.1° |
| C14 | C15 | C10 | C6 | 179.8° | 179.4° |
| C15 | C14 | C13 | H4 | 179.6° | 180.0° |
| C12 | C11 | C10 | C15 | 1.1° | 0.0° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C12 | C11 | C10 | C6 | 178.7° | 179.9° |
| C11 | C12 | C13 | H4 | 179.4° | 179.3° |
| O1 | C15 | C10 | C11 | 179.6° | 178.6° |
| O1 | C15 | C10 | C6 | 0.5° | 1.5° |
| C15 | O1 | C8 | C7 | 47.6° | 44.9° |
| C15 | O1 | C8 | C9 | 48.0° | 48.8° |
| C15 | O1 | C8 | H3 | 179.4° | 179.0° |
| O1 | C15 | C14 | H7 | 0.4° | 3.0° |
| C15 | C10 | C11 | C6 | 179.8° | 180.0° |
| C10 | C15 | O1 | C8 | 0.1° | 0.8° |
| C15 | C10 | C6 | C7 | 45.4° | 47.6° |
| C15 | C10 | C6 | C9 | 44.1° | 43.1° |
| C15 | C10 | C6 | C5 | 178.6° | 178.3° |
| C15 | C10 | C11 | H6 | 178.9° | 180.0° |
| C10 | C15 | C14 | H7 | 179.3° | 179.2° |
| C11 | C10 | C6 | C7 | 134.7° | 132.4° |
| C11 | C10 | C6 | C9 | 135.7° | 136.9° |
| C11 | C10 | C6 | C5 | 1.2° | 1.6° |
| O1 | C8 | C7 | C9 | 109.9° | 110.9° |
| O1 | C8 | C7 | H3 | 132.7° | 133.9° |
| O1 | C8 | C9 | H3 | 133.4° | 132.0° |
| O1 | C8 | C7 | C6 | 87.4° | 78.5° |
| O1 | C8 | C9 | C6 | 86.8° | 80.3° |
| O1 | C8 | C7 | H1 | 28.6° | 167.4° |
| O1 | C8 | C7 | H2 | 156.6° | 35.6° |
| O1 | C8 | C9 | H8 | 157.2° | 33.9° |
| O1 | C8 | C9 | H9 | 29.2° | 165.6° |
| C10 | C6 | C7 | C8 | 79.2° | 76.7° |
| C10 | C6 | C9 | C8 | 77.9° | 75.3° |
| C10 | C6 | C7 | C9 | 101.4° | 109.1° |
| C10 | C6 | C7 | C5 | 131.5° | 133.2° |
| C10 | C6 | C9 | C5 | 131.3° | 134.6° |
| C10 | C6 | C5 | O | 67.0° | 131.9° |
| C10 | C6 | C5 | N | 124.9° | 48.0° |
| C10 | C6 | C7 | H1 | 36.8° | 169.1° |
| C10 | C6 | C7 | H2 | 164.8° | 37.5° |
| C6 | C10 | C11 | H6 | 1.3° | 0.0° |
| C10 | C6 | C9 | H8 | 166.1° | 38.9° |
| C10 | C6 | C9 | H9 | 38.1° | 170.5° |
| C7 | C8 | C9 | H3 | 117.3° | 115.1° |
| C8 | C7 | C6 | H1 | 116.0° | 114.1° |
| C8 | C7 | C6 | H2 | 116.0° | 114.3° |
| C7 | C8 | C9 | C6 | 22.5° | 32.6° |
| C8 | C7 | C6 | C5 | 149.2° | 150.0° |
| C8 | C7 | H1 | H2 | 130.6° | 132.2° |
| C7 | C8 | C9 | H8 | 93.5° | 146.8° |
| C7 | C8 | C9 | H9 | 138.5° | 81.5° |
| C8 | C9 | C6 | H8 | 116.0° | 114.2° |
| C8 | C9 | C6 | H9 | 116.0° | 114.2° |
| C8 | C9 | C6 | C5 | 150.8° | 150.1° |
| C9 | C8 | C7 | H1 | 138.5° | 81.7° |
| C9 | C8 | C7 | H2 | 93.5° | 146.5° |
| C8 | C9 | H8 | H9 | 130.6° | 132.0° |
| C7 | C6 | C9 | C5 | 128.7° | 117.8° |
| C7 | C6 | C5 | O | 168.2° | 98.1° |
| C7 | C6 | C5 | N | 0.2° | 81.9° |
| C6 | C7 | H1 | H2 | 130.6° | 132.0° |
| C6 | C7 | C8 | H3 | 139.9° | 147.6° |
| C7 | C6 | C9 | H8 | 93.8° | 146.5° |
| C7 | C6 | C9 | H9 | 138.2° | 81.9° |
| C9 | C6 | C5 | O | 57.7° | 0.0° |
| C9 | C6 | C5 | N | 110.3° | 180.0° |
| C9 | C6 | C7 | H1 | 138.2° | 81.8° |
| C9 | C6 | C7 | H2 | 93.8° | 146.6° |
| C6 | C9 | C8 | H3 | 139.8° | 147.8° |
| C6 | C9 | H8 | H9 | 130.6° | 131.9° |
| C6 | C5 | O | N | 167.2° | 179.9° |
| C6 | C5 | N | C4 | 166.4° | 174.4° |
| C5 | C6 | C7 | H1 | 94.8° | 35.9° |
| C5 | C6 | C7 | H2 | 33.2° | 95.7° |
| C5 | C6 | C9 | H8 | 34.8° | 95.7° |
| C5 | C6 | C9 | H9 | 93.2° | 35.9° |
| C6 | C5 | N | H10 | 13.6° | 5.6° |
| O | C5 | N | C4 | 1.4° | 5.5° |
| O | C5 | N | H10 | 178.6° | 174.5° |
| C5 | N | C4 | H10 | 180.0° | 180.0° |
| C5 | N | C4 | C16 | 79.9° | 24.8° |
| C5 | N | C4 | C3 | 98.9° | 155.2° |
| N | C4 | C16 | C3 | 178.8° | 179.9° |
| N | C4 | C16 | N1 | 178.9° | 180.0° |
| N | C4 | C3 | C2 | 0.0° | 0.1° |
| N | C4 | C3 | C18 | 179.4° | 179.9° |
| N | C4 | C16 | H11 | 1.1° | 0.1° |
| C4 | C16 | N1 | H11 | 180.0° | 180.0° |
| C4 | C16 | N1 | C17 | 0.7° | 0.0° |
| C16 | C4 | C3 | C2 | 178.9° | 180.0° |
| C16 | C4 | C3 | C18 | 0.5° | 0.0° |
| C16 | C4 | N | H10 | 100.1° | 155.2° |
| N1 | C16 | C4 | C3 | 0.1° | 0.0° |
| C16 | N1 | C17 | C18 | 1.1° | 0.0° |
| C16 | N1 | C17 | H5 | 178.9° | 180.0° |
| C4 | C3 | C2 | C18 | 179.4° | 180.0° |
| C4 | C3 | C2 | C1 | 179.1° | 180.0° |
| C4 | C3 | C18 | C17 | 0.2° | 0.0° |
| C4 | C3 | C18 | C19 | 179.2° | 180.0° |
| C3 | C4 | N | H10 | 81.1° | 24.8° |
| C3 | C4 | C16 | H11 | 179.9° | 180.0° |
| C4 | C3 | C2 | H13 | 0.9° | 0.1° |
| N1 | C17 | C18 | C3 | 0.6° | 0.0° |
| N1 | C17 | C18 | H5 | 180.0° | 180.0° |
| N1 | C17 | C18 | C19 | 178.3° | 180.0° |
| C17 | N1 | C16 | H11 | 179.3° | 180.0° |
| C3 | C2 | C1 | H13 | 180.0° | 179.9° |
| C2 | C3 | C18 | C17 | 179.2° | 180.0° |
| C2 | C3 | C18 | C19 | 0.3° | 0.0° |
| C3 | C2 | C1 | C | 0.1° | 0.0° |
| C3 | C2 | C1 | H14 | 179.9° | 180.0° |
| C18 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | C18 | C17 | C19 | 178.9° | 180.0° |
| C3 | C18 | C19 | C | 0.1° | 0.0° |
| C3 | C18 | C17 | H5 | 179.4° | 180.0° |
| C3 | C18 | C19 | H12 | 179.9° | 180.0° |
| C18 | C3 | C2 | H13 | 179.7° | 179.9° |
| C2 | C1 | C | H14 | 180.0° | 180.0° |
| C2 | C1 | C | C19 | 0.1° | 0.0° |
| C2 | C1 | C | F | 179.6° | 180.0° |
| C17 | C18 | C19 | C | 179.0° | 180.0° |
| C17 | C18 | C19 | H12 | 1.0° | 0.0° |
| C18 | C19 | C | C1 | 0.1° | 0.0° |
| C18 | C19 | C | H12 | 180.0° | 180.0° |
| C18 | C19 | C | F | 179.7° | 180.0° |
| C19 | C18 | C17 | H5 | 1.7° | 0.0° |
| C1 | C | C19 | F | 179.6° | 180.0° |
| C1 | C | C19 | H12 | 179.9° | 180.0° |
| C | C1 | C2 | H13 | 179.9° | 179.9° |
| C19 | C | C1 | H14 | 179.9° | 180.0° |
| F | C | C19 | H12 | 0.3° | 0.1° |
| F | C | C1 | H14 | 0.3° | 0.0° |
| H1 | C7 | C8 | H3 | 104.2° | 33.5° |
| H2 | C7 | C8 | H3 | 23.9° | 98.3° |
| H3 | C8 | C9 | H8 | 23.8° | 98.1° |
| H3 | C8 | C9 | H9 | 104.2° | 33.6° |
| H4 | C13 | C14 | H7 | 0.4° | 3.0° |
| H13 | C2 | C1 | H14 | 0.1° | 0.1° |
