FOF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C4 | doub | 1.31Å | 1.36Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C8 | C7 | sing | 1.51Å | 1.54Å | |
| C7 | C9 | doub | 1.31Å | 1.37Å | |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C15 | O1 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C14 | C12 | doub | 1.31Å | 1.36Å | |
| C13 | C12 | sing | 1.51Å | 1.54Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| O1 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 116.8° | 120.0° |
| C1 | C2 | C4 | 120.1° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.6° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C3 | C2 | C4 | 123.1° | 120.0° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.4° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C2 | C4 | C5 | 129.0° | 120.0° |
| C2 | C4 | H7 | 115.5° | 119.9° |
| C4 | C5 | C6 | 114.8° | 109.5° |
| C5 | C4 | H7 | 115.5° | 120.0° |
| C4 | C5 | H8 | 108.1° | 109.5° |
| C4 | C5 | H9 | 108.1° | 109.5° |
| C5 | C6 | C7 | 113.3° | 109.5° |
| C6 | C5 | H8 | 108.1° | 109.5° |
| C6 | C5 | H9 | 108.1° | 109.5° |
| C5 | C6 | H10 | 108.5° | 109.5° |
| C5 | C6 | H11 | 108.5° | 109.5° |
| C6 | C7 | C8 | 117.6° | 120.0° |
| C6 | C7 | C9 | 120.2° | 120.0° |
| C7 | C6 | H10 | 108.5° | 109.5° |
| C7 | C6 | H11 | 108.5° | 109.5° |
| C8 | C7 | C9 | 122.2° | 120.0° |
| C7 | C8 | H12 | 109.5° | 109.4° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.5° | 109.4° |
| C7 | C9 | C10 | 130.0° | 120.0° |
| C7 | C9 | H15 | 115.0° | 120.0° |
| C9 | C10 | C11 | 119.5° | 109.5° |
| C10 | C9 | H15 | 115.0° | 120.0° |
| C9 | C10 | H16 | 106.9° | 109.5° |
| C9 | C10 | H17 | 106.9° | 109.4° |
| C14 | C15 | O1 | 107.3° | 109.5° |
| C15 | C14 | C12 | 126.7° | 120.0° |
| C15 | C14 | H23 | 116.7° | 120.0° |
| C14 | C15 | H24 | 110.0° | 109.4° |
| C14 | C15 | H25 | 110.0° | 109.5° |
| O1 | C15 | H24 | 110.0° | 109.5° |
| O1 | C15 | H25 | 110.0° | 109.5° |
| C15 | O1 | H26 | 109.5° | 114.0° |
| C10 | C11 | C12 | 114.6° | 109.5° |
| C11 | C10 | H16 | 106.9° | 109.5° |
| C11 | C10 | H17 | 106.9° | 109.5° |
| C10 | C11 | H18 | 108.2° | 109.5° |
| C10 | C11 | H19 | 108.2° | 109.5° |
| C14 | C12 | C13 | 120.2° | 120.0° |
| C14 | C12 | C11 | 120.5° | 120.0° |
| C12 | C14 | H23 | 116.7° | 120.0° |
| C13 | C12 | C11 | 119.3° | 120.0° |
| C12 | C13 | H20 | 109.5° | 109.5° |
| C12 | C13 | H21 | 109.5° | 109.5° |
| C12 | C13 | H22 | 109.5° | 109.5° |
| C12 | C11 | H18 | 108.2° | 109.5° |
| C12 | C11 | H19 | 108.2° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H4 | C3 | H6 | 109.4° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H14 | 109.4° | 109.5° |
| H13 | C8 | H14 | 109.4° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.4° |
| H20 | C13 | H21 | 109.4° | 109.5° |
| H20 | C13 | H22 | 109.4° | 109.4° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 180.0° | 179.9° |
| C1 | C2 | C4 | C5 | 179.9° | 0.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 180.0° | 90.0° |
| C1 | C2 | C3 | H5 | 60.0° | 150.0° |
| C1 | C2 | C3 | H6 | 60.0° | 30.1° |
| C1 | C2 | C4 | H7 | 0.0° | 180.0° |
| C3 | C2 | C4 | C5 | 0.0° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 120.0° |
| C3 | C2 | C1 | H2 | 60.0° | 0.1° |
| C3 | C2 | C1 | H3 | 60.0° | 120.0° |
| C2 | C3 | H4 | H5 | 120.0° | 119.9° |
| C2 | C3 | H4 | H6 | 120.0° | 120.1° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C2 | C4 | H7 | 180.0° | 0.0° |
| C2 | C4 | C5 | H7 | 180.0° | 180.0° |
| C2 | C4 | C5 | C6 | 102.6° | 125.0° |
| C4 | C2 | C1 | H1 | 0.0° | 60.0° |
| C4 | C2 | C1 | H2 | 120.0° | 180.0° |
| C4 | C2 | C1 | H3 | 120.0° | 60.0° |
| C4 | C2 | C3 | H4 | 0.0° | 89.9° |
| C4 | C2 | C3 | H5 | 120.0° | 30.0° |
| C4 | C2 | C3 | H6 | 120.0° | 150.0° |
| C2 | C4 | C5 | H8 | 18.2° | 115.0° |
| C2 | C4 | C5 | H9 | 136.6° | 5.0° |
| C4 | C5 | C6 | H8 | 120.8° | 120.0° |
| C4 | C5 | C6 | H9 | 120.8° | 120.0° |
| C4 | C5 | C6 | C7 | 66.5° | 180.0° |
| C4 | C5 | H8 | H9 | 117.6° | 120.0° |
| C4 | C5 | C6 | H10 | 172.9° | 60.0° |
| C4 | C5 | C6 | H11 | 54.1° | 60.0° |
| C5 | C6 | C7 | H10 | 120.6° | 120.0° |
| C5 | C6 | C7 | H11 | 120.6° | 120.0° |
| C5 | C6 | C7 | C8 | 65.1° | 85.0° |
| C5 | C6 | C7 | C9 | 113.5° | 94.9° |
| C6 | C5 | C4 | H7 | 77.4° | 55.0° |
| C6 | C5 | H8 | H9 | 117.6° | 120.0° |
| C5 | C6 | H10 | H11 | 118.3° | 120.0° |
| C6 | C7 | C8 | C9 | 178.7° | 179.9° |
| C6 | C7 | C9 | C10 | 178.6° | 174.6° |
| C7 | C6 | C5 | H8 | 54.3° | 60.0° |
| C7 | C6 | C5 | H9 | 172.7° | 60.0° |
| C7 | C6 | H10 | H11 | 118.3° | 120.0° |
| C6 | C7 | C8 | H12 | 180.0° | 4.7° |
| C6 | C7 | C8 | H13 | 60.0° | 124.8° |
| C6 | C7 | C8 | H14 | 60.0° | 115.2° |
| C6 | C7 | C9 | H15 | 1.4° | 5.4° |
| C8 | C7 | C9 | C10 | 0.0° | 5.5° |
| C8 | C7 | C6 | H10 | 55.4° | 155.0° |
| C8 | C7 | C6 | H11 | 174.3° | 35.1° |
| C7 | C8 | H12 | H13 | 120.0° | 120.0° |
| C7 | C8 | H12 | H14 | 120.0° | 119.9° |
| C7 | C8 | H13 | H14 | 120.0° | 120.0° |
| C8 | C7 | C9 | H15 | 179.9° | 174.5° |
| C7 | C9 | C10 | H15 | 180.0° | 179.9° |
| C7 | C9 | C10 | C11 | 48.7° | 125.3° |
| C9 | C7 | C6 | H10 | 125.9° | 25.0° |
| C9 | C7 | C6 | H11 | 7.0° | 145.0° |
| C9 | C7 | C8 | H12 | 1.4° | 175.2° |
| C9 | C7 | C8 | H13 | 118.7° | 55.1° |
| C9 | C7 | C8 | H14 | 121.3° | 64.9° |
| C7 | C9 | C10 | H16 | 170.1° | 114.7° |
| C7 | C9 | C10 | H17 | 72.7° | 5.3° |
| C9 | C10 | C11 | H16 | 121.4° | 120.0° |
| C9 | C10 | C11 | H17 | 121.4° | 120.0° |
| C9 | C10 | C11 | C12 | 123.6° | NaN° |
| C9 | C10 | H16 | H17 | 115.4° | 120.0° |
| C9 | C10 | C11 | H18 | 2.9° | 60.0° |
| C9 | C10 | C11 | H19 | 115.6° | 60.0° |
| C14 | C15 | O1 | H24 | 119.7° | 119.9° |
| C14 | C15 | O1 | H25 | 119.7° | 120.0° |
| C15 | C14 | C12 | H23 | 180.0° | 180.0° |
| C15 | C14 | C12 | C13 | 0.0° | 0.0° |
| C15 | C14 | C12 | C11 | 179.9° | 180.0° |
| C14 | C15 | H24 | H25 | 121.0° | 120.0° |
| C14 | C15 | O1 | H26 | 180.0° | 180.0° |
| O1 | C15 | C14 | C12 | 105.8° | 135.0° |
| O1 | C15 | C14 | H23 | 74.2° | 45.0° |
| O1 | C15 | H24 | H25 | 121.0° | 120.0° |
| C10 | C11 | C12 | C14 | 132.8° | 95.0° |
| C10 | C11 | C12 | C13 | 47.3° | 85.0° |
| C10 | C11 | C12 | H18 | 120.8° | 120.0° |
| C10 | C11 | C12 | H19 | 120.7° | 120.0° |
| C11 | C10 | C9 | H15 | 131.3° | 54.8° |
| C11 | C10 | H16 | H17 | 115.4° | 120.0° |
| C10 | C11 | H18 | H19 | 117.6° | 120.0° |
| C14 | C12 | C13 | C11 | 179.9° | 180.0° |
| C14 | C12 | C11 | H18 | 12.0° | 25.0° |
| C14 | C12 | C11 | H19 | 106.5° | 145.0° |
| C14 | C12 | C13 | H20 | 180.0° | 90.0° |
| C14 | C12 | C13 | H21 | 60.0° | 30.0° |
| C14 | C12 | C13 | H22 | 60.0° | 150.0° |
| C12 | C14 | C15 | H24 | 13.8° | 105.0° |
| C12 | C14 | C15 | H25 | 134.5° | 15.0° |
| C13 | C12 | C11 | H18 | 168.1° | 155.0° |
| C13 | C12 | C11 | H19 | 73.4° | 35.0° |
| C12 | C13 | H20 | H21 | 120.0° | 120.0° |
| C12 | C13 | H20 | H22 | 120.0° | 120.0° |
| C12 | C13 | H21 | H22 | 120.0° | 120.0° |
| C13 | C12 | C14 | H23 | 180.0° | 180.0° |
| C12 | C11 | C10 | H16 | 114.9° | 60.0° |
| C12 | C11 | C10 | H17 | 2.2° | 60.0° |
| C12 | C11 | H18 | H19 | 117.7° | 120.0° |
| C11 | C12 | C13 | H20 | 0.1° | 90.0° |
| C11 | C12 | C13 | H21 | 120.1° | 150.0° |
| C11 | C12 | C13 | H22 | 119.9° | 30.0° |
| C11 | C12 | C14 | H23 | 0.1° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H4 | C3 | H5 | H6 | 120.0° | 120.1° |
| H7 | C4 | C5 | H8 | 161.8° | 65.0° |
| H7 | C4 | C5 | H9 | 43.4° | 175.0° |
| H8 | C5 | C6 | H10 | 66.3° | 180.0° |
| H8 | C5 | C6 | H11 | 174.9° | 60.0° |
| H9 | C5 | C6 | H10 | 52.1° | 60.0° |
| H9 | C5 | C6 | H11 | 66.7° | 180.0° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| H15 | C9 | C10 | H16 | 9.9° | 65.2° |
| H15 | C9 | C10 | H17 | 107.3° | 174.8° |
| H16 | C10 | C11 | H18 | 124.3° | 180.0° |
| H16 | C10 | C11 | H19 | 5.8° | 60.0° |
| H17 | C10 | C11 | H18 | 118.5° | 60.0° |
| H17 | C10 | C11 | H19 | 123.0° | 180.0° |
| H20 | C13 | H21 | H22 | 119.9° | 119.9° |
| H23 | C14 | C15 | H24 | 166.2° | 74.9° |
| H23 | C14 | C15 | H25 | 45.5° | 165.1° |
| H24 | C15 | O1 | H26 | 60.3° | 60.1° |
| H25 | C15 | O1 | H26 | 60.3° | 60.0° |
