F4R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C37 | C27 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N4 | sing | 1.47Å | 1.45Å | |
| N4 | C18 | sing | 1.35Å | 1.34Å | |
| C18 | S1 | doub | 1.60Å | 1.56Å | |
| C18 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C37 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| N4 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C25 | 112.1° | 109.5° |
| C26 | C27 | C37 | 111.3° | 109.5° |
| C27 | C26 | H17 | 108.8° | 109.5° |
| C27 | C26 | H18 | 108.8° | 109.5° |
| C26 | C27 | H19 | 109.0° | 109.5° |
| C26 | C27 | H20 | 109.0° | 109.5° |
| C26 | C25 | C24 | 111.9° | 109.5° |
| C26 | C25 | H15 | 108.9° | 109.5° |
| C26 | C25 | H16 | 108.9° | 109.5° |
| C25 | C26 | H17 | 108.8° | 109.5° |
| C25 | C26 | H18 | 108.8° | 109.5° |
| C27 | C37 | C38 | 112.5° | 109.5° |
| C37 | C27 | H19 | 109.0° | 109.5° |
| C37 | C27 | H20 | 109.0° | 109.5° |
| C27 | C37 | H21 | 108.7° | 109.5° |
| C27 | C37 | H22 | 108.7° | 109.5° |
| C37 | C38 | C39 | 110.6° | 109.5° |
| C38 | C37 | H21 | 108.7° | 109.5° |
| C38 | C37 | H22 | 108.7° | 109.5° |
| C37 | C38 | H23 | 109.2° | 109.5° |
| C37 | C38 | H24 | 109.2° | 109.5° |
| C25 | C24 | C23 | 110.8° | 109.5° |
| C25 | C24 | H13 | 109.2° | 109.5° |
| C25 | C24 | H14 | 109.1° | 109.5° |
| C24 | C25 | H15 | 108.8° | 109.5° |
| C24 | C25 | H16 | 108.9° | 109.5° |
| C24 | C23 | C22 | 113.7° | 109.5° |
| C24 | C23 | H11 | 108.4° | 109.5° |
| C24 | C23 | H12 | 108.4° | 109.5° |
| C23 | C24 | H13 | 109.1° | 109.5° |
| C23 | C24 | H14 | 109.1° | 109.5° |
| C39 | C38 | H23 | 109.2° | 109.5° |
| C39 | C38 | H24 | 109.2° | 109.5° |
| C38 | C39 | H25 | 109.5° | 109.5° |
| C38 | C39 | H26 | 109.5° | 109.5° |
| C38 | C39 | H27 | 109.5° | 109.5° |
| C23 | C22 | C21 | 110.4° | 109.5° |
| C23 | C22 | H9 | 109.3° | 109.5° |
| C23 | C22 | H10 | 109.2° | 109.5° |
| C22 | C23 | H11 | 108.4° | 109.5° |
| C22 | C23 | H12 | 108.4° | 109.5° |
| C22 | C21 | C20 | 112.6° | 109.5° |
| C22 | C21 | H7 | 108.7° | 109.5° |
| C22 | C21 | H8 | 108.7° | 109.5° |
| C21 | C22 | H9 | 109.2° | 109.5° |
| C21 | C22 | H10 | 109.3° | 109.5° |
| C21 | C20 | C19 | 112.2° | 109.5° |
| C21 | C20 | H5 | 108.8° | 109.5° |
| C21 | C20 | H6 | 108.8° | 109.5° |
| C20 | C21 | H7 | 108.7° | 109.5° |
| C20 | C21 | H8 | 108.7° | 109.5° |
| C20 | C19 | N4 | 109.2° | 109.5° |
| C20 | C19 | H3 | 109.5° | 109.5° |
| C20 | C19 | H4 | 109.5° | 109.5° |
| C19 | C20 | H5 | 108.8° | 109.5° |
| C19 | C20 | H6 | 108.8° | 109.5° |
| C19 | N4 | C18 | 126.0° | 120.0° |
| N4 | C19 | H3 | 109.6° | 109.5° |
| N4 | C19 | H4 | 109.5° | 109.5° |
| C19 | N4 | H2 | 117.0° | 120.0° |
| N4 | C18 | S1 | 118.1° | 120.0° |
| N4 | C18 | H1 | 120.9° | 120.0° |
| C18 | N4 | H2 | 117.0° | 120.0° |
| S1 | C18 | H1 | 120.9° | 120.0° |
| H3 | C19 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.5° | 109.5° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.4° |
| H21 | C37 | H22 | 109.5° | 109.5° |
| H23 | C38 | H24 | 109.5° | 109.5° |
| H25 | C39 | H26 | 109.5° | 109.5° |
| H25 | C39 | H27 | 109.5° | 109.4° |
| H26 | C39 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C25 | H17 | 120.4° | 120.0° |
| C27 | C26 | C25 | H18 | 120.4° | 120.0° |
| C26 | C27 | C37 | H19 | 120.3° | 120.0° |
| C26 | C27 | C37 | H20 | 120.3° | 120.0° |
| C26 | C27 | C37 | C38 | 155.7° | 180.0° |
| C27 | C26 | C25 | C24 | 133.3° | 180.0° |
| C27 | C26 | C25 | H15 | 106.3° | 60.0° |
| C27 | C26 | C25 | H16 | 13.0° | 60.0° |
| C27 | C26 | H17 | H18 | 118.8° | 120.0° |
| C26 | C27 | H19 | H20 | 119.2° | 120.0° |
| C26 | C27 | C37 | H21 | 35.2° | 60.0° |
| C26 | C27 | C37 | H22 | 83.9° | 60.0° |
| C25 | C26 | C27 | C37 | 71.9° | 180.0° |
| C26 | C25 | C24 | H15 | 120.4° | 120.0° |
| C26 | C25 | C24 | H16 | 120.4° | 120.0° |
| C26 | C25 | C24 | C23 | 174.4° | 180.0° |
| C26 | C25 | C24 | H13 | 65.4° | 60.0° |
| C26 | C25 | C24 | H14 | 54.2° | 60.0° |
| C26 | C25 | H15 | H16 | 118.9° | 120.0° |
| C25 | C26 | H17 | H18 | 118.8° | 120.0° |
| C25 | C26 | C27 | H19 | 167.9° | 60.0° |
| C25 | C26 | C27 | H20 | 48.4° | 60.0° |
| C27 | C37 | C38 | H21 | 120.4° | 120.0° |
| C27 | C37 | C38 | H22 | 120.4° | 120.0° |
| C27 | C37 | C38 | C39 | 165.5° | 180.0° |
| C37 | C27 | C26 | H17 | 167.7° | 60.0° |
| C37 | C27 | C26 | H18 | 48.5° | 60.0° |
| C37 | C27 | H19 | H20 | 119.1° | 120.0° |
| C27 | C37 | H21 | H22 | 118.6° | 120.0° |
| C27 | C37 | C38 | H23 | 74.3° | 60.0° |
| C27 | C37 | C38 | H24 | 45.3° | 60.0° |
| C37 | C38 | C39 | H23 | 120.2° | 120.0° |
| C37 | C38 | C39 | H24 | 120.1° | 120.0° |
| C38 | C37 | C27 | H19 | 84.0° | 60.0° |
| C38 | C37 | C27 | H20 | 35.4° | 60.0° |
| C38 | C37 | H21 | H22 | 118.6° | 120.0° |
| C37 | C38 | H23 | H24 | 119.4° | 120.0° |
| C37 | C38 | C39 | H25 | 180.0° | 60.0° |
| C37 | C38 | C39 | H26 | 60.0° | 180.0° |
| C37 | C38 | C39 | H27 | 60.0° | 60.0° |
| C25 | C24 | C23 | H13 | 120.2° | 120.0° |
| C25 | C24 | C23 | H14 | 120.2° | 120.0° |
| C25 | C24 | C23 | C22 | 140.5° | 180.0° |
| C25 | C24 | C23 | H11 | 19.9° | 60.0° |
| C25 | C24 | C23 | H12 | 98.9° | 60.0° |
| C25 | C24 | H13 | H14 | 119.4° | 120.0° |
| C24 | C25 | H15 | H16 | 118.9° | 120.0° |
| C24 | C25 | C26 | H17 | 13.0° | 60.0° |
| C24 | C25 | C26 | H18 | 106.3° | 60.0° |
| C24 | C23 | C22 | H11 | 120.6° | 120.0° |
| C24 | C23 | C22 | H12 | 120.6° | 120.0° |
| C24 | C23 | C22 | C21 | 179.5° | 180.0° |
| C24 | C23 | C22 | H9 | 59.3° | 60.0° |
| C24 | C23 | C22 | H10 | 60.4° | 60.0° |
| C24 | C23 | H11 | H12 | 118.1° | 120.0° |
| C23 | C24 | H13 | H14 | 119.4° | 120.0° |
| C23 | C24 | C25 | H15 | 54.1° | 60.0° |
| C23 | C24 | C25 | H16 | 65.2° | 60.0° |
| C39 | C38 | C37 | H21 | 45.0° | 60.0° |
| C39 | C38 | C37 | H22 | 74.1° | 60.0° |
| C39 | C38 | H23 | H24 | 119.5° | 120.0° |
| C38 | C39 | H25 | H26 | 120.0° | 120.0° |
| C38 | C39 | H25 | H27 | 120.0° | 120.0° |
| C38 | C39 | H26 | H27 | 120.0° | 120.0° |
| C23 | C22 | C21 | H9 | 120.1° | 120.0° |
| C23 | C22 | C21 | H10 | 120.1° | 120.0° |
| C23 | C22 | C21 | C20 | 85.0° | 180.0° |
| C23 | C22 | C21 | H7 | 154.5° | 60.0° |
| C23 | C22 | C21 | H8 | 35.4° | 60.0° |
| C23 | C22 | H9 | H10 | 119.6° | 120.0° |
| C22 | C23 | H11 | H12 | 118.1° | 120.0° |
| C22 | C23 | C24 | H13 | 99.3° | 60.0° |
| C22 | C23 | C24 | H14 | 20.3° | 60.0° |
| C22 | C21 | C20 | H7 | 120.5° | 120.0° |
| C22 | C21 | C20 | H8 | 120.5° | 120.0° |
| C22 | C21 | C20 | C19 | 143.2° | 180.0° |
| C22 | C21 | C20 | H5 | 22.8° | 60.0° |
| C22 | C21 | C20 | H6 | 96.4° | 60.0° |
| C22 | C21 | H7 | H8 | 118.6° | 120.0° |
| C21 | C22 | H9 | H10 | 119.6° | 120.0° |
| C21 | C22 | C23 | H11 | 59.9° | 60.0° |
| C21 | C22 | C23 | H12 | 58.9° | 60.0° |
| C21 | C20 | C19 | H5 | 120.4° | 120.0° |
| C21 | C20 | C19 | H6 | 120.4° | 120.0° |
| C21 | C20 | C19 | N4 | 163.0° | 180.0° |
| C21 | C20 | C19 | H3 | 77.0° | 60.0° |
| C21 | C20 | C19 | H4 | 43.0° | 60.0° |
| C21 | C20 | H5 | H6 | 118.8° | 120.0° |
| C20 | C21 | H7 | H8 | 118.6° | 120.0° |
| C20 | C21 | C22 | H9 | 35.1° | 60.0° |
| C20 | C21 | C22 | H10 | 154.8° | 60.0° |
| C20 | C19 | N4 | H3 | 120.0° | 120.0° |
| C20 | C19 | N4 | H4 | 120.0° | 120.0° |
| C20 | C19 | N4 | C18 | 68.1° | 180.0° |
| C20 | C19 | H3 | H4 | 120.1° | 120.0° |
| C19 | C20 | H5 | H6 | 118.8° | 120.0° |
| C19 | C20 | C21 | H7 | 96.3° | 60.0° |
| C19 | C20 | C21 | H8 | 22.8° | 60.0° |
| C20 | C19 | N4 | H2 | 111.9° | 0.0° |
| C19 | N4 | C18 | H2 | 180.0° | 180.0° |
| C19 | N4 | C18 | S1 | 167.4° | 0.0° |
| C19 | N4 | C18 | H1 | 12.6° | 179.7° |
| N4 | C19 | H3 | H4 | 120.1° | 120.0° |
| N4 | C19 | C20 | H5 | 42.6° | 60.0° |
| N4 | C19 | C20 | H6 | 76.6° | 60.0° |
| N4 | C18 | S1 | H1 | 180.0° | 179.7° |
| C18 | N4 | C19 | H3 | 51.9° | 60.0° |
| C18 | N4 | C19 | H4 | 172.0° | 60.0° |
| S1 | C18 | N4 | H2 | 12.6° | 180.0° |
| H1 | C18 | N4 | H2 | 167.4° | 0.3° |
| H3 | C19 | C20 | H5 | 162.6° | 180.0° |
| H3 | C19 | C20 | H6 | 43.4° | 60.0° |
| H3 | C19 | N4 | H2 | 128.1° | 120.0° |
| H4 | C19 | C20 | H5 | 77.4° | 60.0° |
| H4 | C19 | C20 | H6 | 163.4° | 180.0° |
| H4 | C19 | N4 | H2 | 8.0° | 120.0° |
| H5 | C20 | C21 | H7 | 143.3° | NaN° |
| H5 | C20 | C21 | H8 | 97.6° | 60.0° |
| H6 | C20 | C21 | H7 | 24.1° | 60.0° |
| H6 | C20 | C21 | H8 | 143.2° | NaN° |
| H7 | C21 | C22 | H9 | 85.4° | 180.0° |
| H7 | C21 | C22 | H10 | 34.4° | 60.0° |
| H8 | C21 | C22 | H9 | 155.6° | 60.0° |
| H8 | C21 | C22 | H10 | 84.7° | 180.0° |
| H9 | C22 | C23 | H11 | 179.9° | 180.0° |
| H9 | C22 | C23 | H12 | 61.3° | 60.0° |
| H10 | C22 | C23 | H11 | 60.2° | 60.0° |
| H10 | C22 | C23 | H12 | 179.0° | 180.0° |
| H11 | C23 | C24 | H13 | 140.1° | 180.0° |
| H11 | C23 | C24 | H14 | 100.3° | 60.0° |
| H12 | C23 | C24 | H13 | 21.3° | 60.0° |
| H12 | C23 | C24 | H14 | 140.9° | 180.0° |
| H13 | C24 | C25 | H15 | 174.3° | 180.0° |
| H13 | C24 | C25 | H16 | 55.0° | 60.0° |
| H14 | C24 | C25 | H15 | 66.1° | 60.0° |
| H14 | C24 | C25 | H16 | 174.6° | 180.0° |
| H15 | C25 | C26 | H17 | 133.3° | 180.0° |
| H15 | C25 | C26 | H18 | 14.0° | 60.0° |
| H16 | C25 | C26 | H17 | 107.4° | 60.0° |
| H16 | C25 | C26 | H18 | 133.3° | 180.0° |
| H17 | C26 | C27 | H19 | 47.5° | 180.0° |
| H17 | C26 | C27 | H20 | 72.0° | 60.0° |
| H18 | C26 | C27 | H19 | 71.8° | 60.0° |
| H18 | C26 | C27 | H20 | 168.8° | 180.0° |
| H19 | C27 | C37 | H21 | 155.5° | 180.0° |
| H19 | C27 | C37 | H22 | 36.4° | 60.0° |
| H20 | C27 | C37 | H21 | 85.1° | 60.0° |
| H20 | C27 | C37 | H22 | 155.9° | 180.0° |
| H21 | C37 | C38 | H23 | 165.2° | 180.0° |
| H21 | C37 | C38 | H24 | 75.1° | 60.0° |
| H22 | C37 | C38 | H23 | 46.1° | 60.0° |
| H22 | C37 | C38 | H24 | 165.8° | 180.0° |
| H23 | C38 | C39 | H25 | 59.8° | 60.0° |
| H23 | C38 | C39 | H26 | 179.8° | 60.0° |
| H23 | C38 | C39 | H27 | 60.2° | 180.0° |
| H24 | C38 | C39 | H25 | 59.9° | 180.0° |
| H24 | C38 | C39 | H26 | 60.1° | 60.0° |
| H24 | C38 | C39 | H27 | 179.9° | 60.0° |
| H25 | C39 | H26 | H27 | 120.0° | 120.0° |
