R5F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | N1 | sing | 1.47Å | 1.51Å | |
| N1 | C4 | sing | 1.47Å | 1.53Å | |
| N1 | C10 | sing | 1.47Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C15 | C10 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C16 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| S1 | C9 | sing | 1.76Å | 1.72Å | Aromatic |
| S1 | C6 | sing | 1.76Å | 1.73Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.33Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| C6 | C7 | doub | 1.33Å | 1.43Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C13 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | O1 | sing | 1.36Å | 1.36Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 109.8° | 109.4° |
| C2 | C1 | H12 | 109.5° | 109.4° |
| C2 | C1 | H13 | 109.4° | 109.5° |
| C2 | C1 | H14 | 109.4° | 109.5° |
| C1 | C2 | H16 | 109.4° | 109.5° |
| C1 | C2 | H17 | 109.4° | 109.5° |
| C2 | C3 | N1 | 115.3° | 109.4° |
| C3 | C2 | H16 | 109.4° | 109.5° |
| C3 | C2 | H17 | 109.4° | 109.4° |
| C2 | C3 | H18 | 108.0° | 109.5° |
| C2 | C3 | H19 | 108.0° | 109.5° |
| C3 | N1 | C4 | 109.6° | 111.0° |
| C3 | N1 | C10 | 112.7° | 111.0° |
| N1 | C3 | H18 | 108.0° | 109.5° |
| N1 | C3 | H19 | 108.0° | 109.5° |
| C4 | N1 | C10 | 114.4° | 111.0° |
| N1 | C4 | C5 | 114.3° | 109.4° |
| N1 | C4 | H2 | 108.2° | 109.5° |
| N1 | C4 | H3 | 108.3° | 109.4° |
| N1 | C10 | C15 | 112.6° | 109.7° |
| N1 | C10 | C11 | 113.0° | 109.7° |
| N1 | C10 | H8 | 107.7° | 109.6° |
| C4 | C5 | C6 | 110.1° | 109.4° |
| C5 | C4 | H2 | 108.3° | 109.5° |
| C5 | C4 | H3 | 108.2° | 109.5° |
| C4 | C5 | H4 | 109.3° | 109.5° |
| C4 | C5 | H5 | 109.3° | 109.5° |
| C10 | C15 | C14 | 113.9° | 110.5° |
| C15 | C10 | C11 | 108.4° | 108.4° |
| C15 | C10 | H8 | 107.4° | 109.7° |
| C10 | C15 | H9 | 108.3° | 109.3° |
| C10 | C15 | H10 | 108.4° | 109.3° |
| C15 | C14 | C16 | 118.5° | 117.7° |
| C15 | C14 | C13 | 122.3° | 122.6° |
| C14 | C15 | H9 | 108.4° | 109.2° |
| C14 | C15 | H10 | 108.3° | 109.3° |
| C10 | C11 | C12 | 112.0° | 108.3° |
| C11 | C10 | H8 | 107.5° | 109.7° |
| C10 | C11 | H21 | 108.8° | 109.7° |
| C10 | C11 | H22 | 108.9° | 109.7° |
| C14 | C16 | C17 | 120.6° | 120.7° |
| C16 | C14 | C13 | 119.2° | 119.7° |
| C14 | C16 | H25 | 119.7° | 119.6° |
| C16 | C17 | C18 | 120.2° | 119.8° |
| C16 | C17 | H11 | 119.9° | 120.1° |
| C17 | C16 | H25 | 119.7° | 119.7° |
| C9 | S1 | C6 | 88.1° | 91.0° |
| S1 | C9 | C8 | 115.4° | 109.6° |
| S1 | C9 | H20 | 122.3° | 125.2° |
| S1 | C6 | C5 | 125.6° | 125.2° |
| S1 | C6 | C7 | 113.6° | 109.6° |
| C14 | C13 | C12 | 120.6° | 122.6° |
| C14 | C13 | C19 | 119.5° | 119.7° |
| C17 | C18 | C19 | 119.9° | 119.7° |
| C18 | C17 | H11 | 119.9° | 120.0° |
| C17 | C18 | H26 | 120.0° | 120.2° |
| C9 | C8 | C7 | 112.8° | 114.9° |
| C9 | C8 | H7 | 123.6° | 122.5° |
| C8 | C9 | H20 | 122.3° | 125.2° |
| C5 | C6 | C7 | 120.7° | 125.2° |
| C6 | C5 | H4 | 109.3° | 109.4° |
| C6 | C5 | H5 | 109.3° | 109.5° |
| C6 | C7 | C8 | 110.1° | 115.0° |
| C6 | C7 | H6 | 124.9° | 122.5° |
| C8 | C7 | H6 | 125.0° | 122.5° |
| C7 | C8 | H7 | 123.6° | 122.6° |
| C12 | C13 | C19 | 119.8° | 117.7° |
| C13 | C12 | C11 | 114.2° | 110.6° |
| C13 | C12 | H23 | 108.3° | 109.3° |
| C13 | C12 | H24 | 108.3° | 109.3° |
| C13 | C19 | C18 | 120.4° | 120.4° |
| C13 | C19 | O1 | 120.6° | 119.8° |
| C12 | C11 | H21 | 108.8° | 109.7° |
| C12 | C11 | H22 | 108.8° | 109.7° |
| C11 | C12 | H23 | 108.3° | 109.2° |
| C11 | C12 | H24 | 108.3° | 109.2° |
| C18 | C19 | O1 | 119.0° | 119.8° |
| C19 | C18 | H26 | 120.1° | 120.1° |
| C19 | O1 | H15 | 109.5° | 114.1° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.2° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.7° |
| H23 | C12 | H24 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H16 | 120.1° | 120.0° |
| C1 | C2 | C3 | H17 | 120.1° | 120.0° |
| C1 | C2 | C3 | N1 | 167.2° | 175.6° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C1 | C2 | H16 | H17 | 119.9° | 120.1° |
| C1 | C2 | C3 | H18 | 46.3° | 64.4° |
| C1 | C2 | C3 | H19 | 72.0° | 55.6° |
| C2 | C3 | N1 | H18 | 120.9° | 120.0° |
| C2 | C3 | N1 | H19 | 120.8° | 120.0° |
| C2 | C3 | N1 | C4 | 65.1° | 164.2° |
| C2 | C3 | N1 | C10 | 63.6° | 71.9° |
| C3 | C2 | C1 | H12 | 180.0° | 180.0° |
| C3 | C2 | C1 | H13 | 60.0° | 60.1° |
| C3 | C2 | C1 | H14 | 60.0° | 60.0° |
| C3 | C2 | H16 | H17 | 119.8° | 120.0° |
| C2 | C3 | H18 | H19 | 117.4° | 120.0° |
| C3 | N1 | C4 | C10 | 127.7° | 123.9° |
| C3 | N1 | C4 | C5 | 127.7° | 66.1° |
| C3 | N1 | C10 | C15 | 58.8° | 166.8° |
| C3 | N1 | C10 | C11 | 178.0° | 74.3° |
| C3 | N1 | C4 | H2 | 111.6° | 173.9° |
| C3 | N1 | C4 | H3 | 7.0° | 53.9° |
| C3 | N1 | C10 | H8 | 59.4° | 46.2° |
| N1 | C3 | C2 | H16 | 72.8° | 64.4° |
| N1 | C3 | C2 | H17 | 47.1° | 55.7° |
| N1 | C3 | H18 | H19 | 117.3° | 120.0° |
| N1 | C4 | C5 | H2 | 120.7° | 120.0° |
| N1 | C4 | C5 | H3 | 120.7° | 119.9° |
| C4 | N1 | C10 | C15 | 175.1° | 69.3° |
| C4 | N1 | C10 | C11 | 51.9° | 49.6° |
| N1 | C4 | C5 | C6 | 175.7° | 180.0° |
| N1 | C4 | H2 | H3 | 117.8° | 120.0° |
| N1 | C4 | C5 | H4 | 55.6° | 60.0° |
| N1 | C4 | C5 | H5 | 64.2° | 60.1° |
| C4 | N1 | C10 | H8 | 66.7° | 170.2° |
| C4 | N1 | C3 | H18 | 55.8° | 44.2° |
| C4 | N1 | C3 | H19 | 174.1° | 75.8° |
| C10 | N1 | C4 | C5 | 104.6° | 170.0° |
| N1 | C10 | C15 | C11 | 125.8° | 119.7° |
| N1 | C10 | C15 | H8 | 118.4° | 120.4° |
| N1 | C10 | C15 | C14 | 172.7° | 170.9° |
| N1 | C10 | C11 | H8 | 118.7° | 120.5° |
| N1 | C10 | C11 | C12 | 172.9° | 170.3° |
| C10 | N1 | C4 | H2 | 16.1° | 50.0° |
| C10 | N1 | C4 | H3 | 134.7° | 70.0° |
| N1 | C10 | C15 | H9 | 52.1° | 50.6° |
| N1 | C10 | C15 | H10 | 66.6° | 68.8° |
| C10 | N1 | C3 | H18 | 175.6° | 168.1° |
| C10 | N1 | C3 | H19 | 57.3° | 48.1° |
| N1 | C10 | C11 | H21 | 52.5° | 50.7° |
| N1 | C10 | C11 | H22 | 66.7° | 69.9° |
| C4 | C5 | C6 | S1 | 102.5° | 90.3° |
| C4 | C5 | C6 | H4 | 120.1° | 120.0° |
| C4 | C5 | C6 | H5 | 120.1° | 120.0° |
| C4 | C5 | C6 | C7 | 75.6° | 90.0° |
| C5 | C4 | H2 | H3 | 117.8° | 120.1° |
| C4 | C5 | H4 | H5 | 119.7° | 120.1° |
| C10 | C15 | C14 | H9 | 120.7° | 120.3° |
| C10 | C15 | C14 | H10 | 120.7° | 120.3° |
| C15 | C10 | C11 | H8 | 115.8° | 119.8° |
| C10 | C15 | C14 | C16 | 164.3° | 162.5° |
| C10 | C15 | C14 | C13 | 16.8° | 17.6° |
| C15 | C10 | C11 | C12 | 61.6° | 69.9° |
| C10 | C15 | H9 | H10 | 118.0° | 119.5° |
| C15 | C10 | C11 | H21 | 178.0° | 170.4° |
| C15 | C10 | C11 | H22 | 58.8° | 49.8° |
| C14 | C15 | C10 | C11 | 47.0° | 51.1° |
| C15 | C14 | C16 | C13 | 178.9° | 179.9° |
| C15 | C14 | C16 | C17 | 177.6° | 179.8° |
| C15 | C14 | C13 | C12 | 1.6° | 0.4° |
| C15 | C14 | C13 | C19 | 176.8° | 179.7° |
| C14 | C15 | C10 | H8 | 68.9° | 68.7° |
| C14 | C15 | H9 | H10 | 118.0° | 119.5° |
| C15 | C14 | C16 | H25 | 2.4° | 0.3° |
| C10 | C11 | C12 | C13 | 44.5° | 51.0° |
| C10 | C11 | C12 | H21 | 120.4° | 119.7° |
| C10 | C11 | C12 | H22 | 120.4° | 119.7° |
| C11 | C10 | C15 | H9 | 73.7° | 69.1° |
| C11 | C10 | C15 | H10 | 167.6° | 171.4° |
| C10 | C11 | H21 | H22 | 118.9° | 120.6° |
| C10 | C11 | C12 | H23 | 165.2° | 171.3° |
| C10 | C11 | C12 | H24 | 76.2° | 69.3° |
| C14 | C16 | C17 | H25 | 180.0° | 180.0° |
| C14 | C16 | C17 | C18 | 0.6° | 0.0° |
| C16 | C14 | C13 | C12 | 177.3° | 179.7° |
| C16 | C14 | C13 | C19 | 4.3° | 0.3° |
| C16 | C14 | C15 | H9 | 75.1° | 77.3° |
| C16 | C14 | C15 | H10 | 43.6° | 42.2° |
| C14 | C16 | C17 | H11 | 179.4° | 180.0° |
| C17 | C16 | C14 | C13 | 3.5° | 0.2° |
| C16 | C17 | C18 | H11 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 3.8° | 0.1° |
| C16 | C17 | C18 | H26 | 176.2° | 179.8° |
| S1 | C9 | C8 | H20 | 180.0° | 179.6° |
| C9 | S1 | C6 | C5 | 178.0° | 179.9° |
| C9 | S1 | C6 | C7 | 0.2° | 0.4° |
| S1 | C9 | C8 | C7 | 0.5° | 0.3° |
| S1 | C9 | C8 | H7 | 179.6° | 179.8° |
| C6 | S1 | C9 | C8 | 0.4° | 0.4° |
| S1 | C6 | C5 | C7 | 178.1° | 179.7° |
| S1 | C6 | C7 | C8 | 0.0° | 0.3° |
| S1 | C6 | C5 | H4 | 17.6° | 149.7° |
| S1 | C6 | C5 | H5 | 137.4° | 29.7° |
| S1 | C6 | C7 | H6 | 180.0° | 179.8° |
| C6 | S1 | C9 | H20 | 179.6° | 180.0° |
| C14 | C13 | C12 | C19 | 178.4° | 179.9° |
| C14 | C13 | C12 | C11 | 12.3° | 17.5° |
| C14 | C13 | C19 | C18 | 1.2° | 0.2° |
| C14 | C13 | C19 | O1 | 179.6° | 179.8° |
| C13 | C14 | C15 | H9 | 103.8° | 102.7° |
| C13 | C14 | C15 | H10 | 137.5° | 137.9° |
| C14 | C13 | C12 | H23 | 133.0° | 137.8° |
| C14 | C13 | C12 | H24 | 108.4° | 102.8° |
| C13 | C14 | C16 | H25 | 176.5° | 179.8° |
| C17 | C18 | C19 | C13 | 2.9° | 0.0° |
| C17 | C18 | C19 | H26 | 180.0° | 179.9° |
| C17 | C18 | C19 | O1 | 175.6° | 180.0° |
| C18 | C17 | C16 | H25 | 179.4° | 180.0° |
| C9 | C8 | C7 | C6 | 0.3° | 0.0° |
| C9 | C8 | C7 | H7 | 180.0° | 180.0° |
| C9 | C8 | C7 | H6 | 179.7° | 179.9° |
| C5 | C6 | C7 | C8 | 178.3° | 180.0° |
| C6 | C5 | C4 | H2 | 63.6° | 60.0° |
| C6 | C5 | C4 | H3 | 55.0° | 60.0° |
| C6 | C5 | H4 | H5 | 119.7° | 120.0° |
| C5 | C6 | C7 | H6 | 1.8° | 0.1° |
| C6 | C7 | C8 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | H4 | 164.3° | 29.9° |
| C7 | C6 | C5 | H5 | 44.5° | 150.0° |
| C6 | C7 | C8 | H7 | 179.7° | 179.9° |
| C7 | C8 | C9 | H20 | 179.5° | 179.9° |
| C13 | C12 | C11 | H23 | 120.7° | 120.3° |
| C13 | C12 | C11 | H24 | 120.7° | 120.3° |
| C12 | C13 | C19 | C18 | 179.6° | 179.8° |
| C12 | C13 | C19 | O1 | 2.0° | 0.3° |
| C13 | C12 | C11 | H21 | 164.9° | 170.7° |
| C13 | C12 | C11 | H22 | 75.9° | 68.7° |
| C13 | C12 | H23 | H24 | 117.8° | 119.5° |
| C19 | C13 | C12 | C11 | 169.4° | 162.5° |
| C13 | C19 | C18 | O1 | 178.5° | 180.0° |
| C13 | C19 | O1 | H15 | 180.0° | 90.0° |
| C19 | C13 | C12 | H23 | 48.6° | 42.3° |
| C19 | C13 | C12 | H24 | 69.9° | 77.2° |
| C13 | C19 | C18 | H26 | 177.1° | 179.9° |
| C12 | C11 | C10 | H8 | 54.2° | 49.9° |
| C12 | C11 | H21 | H22 | 118.8° | 120.6° |
| C11 | C12 | H23 | H24 | 117.9° | 119.4° |
| C19 | C18 | C17 | H11 | 176.2° | 179.9° |
| C18 | C19 | O1 | H15 | 1.5° | 90.0° |
| O1 | C19 | C18 | H26 | 4.4° | 0.0° |
| H2 | C4 | C5 | H4 | 176.3° | 180.0° |
| H2 | C4 | C5 | H5 | 56.5° | 59.9° |
| H3 | C4 | C5 | H4 | 65.1° | 59.9° |
| H3 | C4 | C5 | H5 | 175.1° | 180.0° |
| H6 | C7 | C8 | H7 | 0.2° | 0.1° |
| H7 | C8 | C9 | H20 | 0.4° | 0.1° |
| H8 | C10 | C15 | H9 | 170.5° | 171.1° |
| H8 | C10 | C15 | H10 | 51.8° | 51.6° |
| H8 | C10 | C11 | H21 | 66.2° | 69.8° |
| H8 | C10 | C11 | H22 | 174.6° | 169.6° |
| H11 | C17 | C16 | H25 | 0.6° | 0.0° |
| H11 | C17 | C18 | H26 | 3.8° | 0.2° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H12 | C1 | C2 | H16 | 60.0° | 60.0° |
| H12 | C1 | C2 | H17 | 60.0° | 60.0° |
| H13 | C1 | C2 | H16 | 60.1° | 59.9° |
| H13 | C1 | C2 | H17 | 180.0° | 180.0° |
| H14 | C1 | C2 | H16 | 180.0° | 180.0° |
| H14 | C1 | C2 | H17 | 60.0° | 59.9° |
| H16 | C2 | C3 | H18 | 166.4° | 55.6° |
| H16 | C2 | C3 | H19 | 48.0° | 175.6° |
| H17 | C2 | C3 | H18 | 73.8° | 175.6° |
| H17 | C2 | C3 | H19 | 167.9° | 64.3° |
| H21 | C11 | C12 | H23 | 74.4° | 69.0° |
| H21 | C11 | C12 | H24 | 44.2° | 50.4° |
| H22 | C11 | C12 | H23 | 44.8° | 51.6° |
| H22 | C11 | C12 | H24 | 163.4° | 171.0° |
