5CK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.55Å | 1.54Å | |
| O01 | C08 | sing | 1.43Å | 1.40Å | |
| C08 | C03 | sing | 1.55Å | 1.53Å | |
| C06 | C02 | sing | 1.54Å | 1.55Å | |
| C03 | C02 | sing | 1.54Å | 1.55Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C03 | C09 | sing | 1.53Å | 1.55Å | |
| C02 | C01 | sing | 1.51Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C01 | C10 | sing | 1.53Å | 1.54Å | |
| C05 | C10 | sing | 1.52Å | 1.54Å | |
| C10 | C12 | sing | 1.51Å | 1.53Å | |
| F01 | C13 | sing | 1.35Å | 1.32Å | |
| C12 | C13 | doub | 1.38Å | 1.35Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.34Å | Aromatic |
| C11 | C16 | doub | 1.38Å | 1.34Å | Aromatic |
| C14 | F02 | sing | 1.35Å | 1.32Å | |
| C14 | C15 | doub | 1.39Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.35Å | Aromatic |
| C15 | O02 | sing | 1.36Å | 1.36Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| O01 | H13 | sing | 0.97Å | 0.95Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| O02 | H17 | sing | 0.97Å | 0.95Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C07 | C06 | 104.8° | 106.7° |
| C07 | C08 | O01 | 111.3° | 110.1° |
| C07 | C08 | C03 | 104.7° | 106.3° |
| C08 | C07 | H10 | 110.6° | 110.1° |
| C08 | C07 | H11 | 110.6° | 110.0° |
| C07 | C08 | H12 | 108.9° | 110.1° |
| C07 | C06 | C02 | 106.3° | 103.5° |
| C07 | C06 | H8 | 110.3° | 110.7° |
| C07 | C06 | H9 | 110.3° | 110.7° |
| C06 | C07 | H10 | 110.6° | 110.0° |
| C06 | C07 | H11 | 110.6° | 110.0° |
| O01 | C08 | C03 | 112.2° | 110.1° |
| O01 | C08 | H12 | 110.7° | 110.2° |
| C08 | O01 | H13 | 109.5° | 114.0° |
| C08 | C03 | C02 | 100.6° | 103.0° |
| C08 | C03 | C04 | 112.9° | 106.7° |
| C08 | C03 | C09 | 111.8° | 112.4° |
| C03 | C08 | H12 | 108.8° | 110.0° |
| C06 | C02 | C03 | 103.8° | 102.9° |
| C06 | C02 | C01 | 111.6° | 112.6° |
| C06 | C02 | H3 | 109.1° | 109.1° |
| C02 | C06 | H8 | 110.2° | 110.6° |
| C02 | C06 | H9 | 110.3° | 110.6° |
| C02 | C03 | C04 | 113.8° | 110.7° |
| C02 | C03 | C09 | 109.8° | 111.8° |
| C03 | C02 | C01 | 113.9° | 113.6° |
| C03 | C02 | H3 | 109.1° | 109.2° |
| C04 | C03 | C09 | 107.9° | 111.8° |
| C03 | C04 | C05 | 113.5° | 110.9° |
| C03 | C04 | H4 | 108.4° | 109.1° |
| C03 | C04 | H5 | 108.5° | 109.2° |
| C03 | C09 | H14 | 109.5° | 109.4° |
| C03 | C09 | H15 | 109.4° | 109.4° |
| C03 | C09 | H16 | 109.5° | 109.5° |
| C02 | C01 | C10 | 117.1° | 111.5° |
| C02 | C01 | H1 | 107.5° | 109.1° |
| C02 | C01 | H2 | 107.5° | 109.0° |
| C01 | C02 | H3 | 109.1° | 109.3° |
| C04 | C05 | C10 | 112.8° | 108.8° |
| C05 | C04 | H4 | 108.5° | 109.2° |
| C05 | C04 | H5 | 108.5° | 109.2° |
| C04 | C05 | H6 | 108.6° | 109.7° |
| C04 | C05 | H7 | 108.6° | 109.6° |
| C01 | C10 | C05 | 111.7° | 109.0° |
| C01 | C10 | C12 | 116.7° | 109.7° |
| C10 | C01 | H1 | 107.5° | 109.1° |
| C10 | C01 | H2 | 107.5° | 109.1° |
| C01 | C10 | H18 | 104.7° | 109.7° |
| C05 | C10 | C12 | 112.8° | 110.0° |
| C10 | C05 | H6 | 108.7° | 109.2° |
| C10 | C05 | H7 | 108.6° | 109.8° |
| C05 | C10 | H18 | 104.7° | 108.7° |
| C10 | C12 | C13 | 119.8° | 120.0° |
| C10 | C12 | C11 | 123.3° | 119.9° |
| C12 | C10 | H18 | 104.8° | 109.7° |
| F01 | C13 | C12 | 120.7° | 120.0° |
| F01 | C13 | C14 | 117.8° | 120.0° |
| C13 | C12 | C11 | 116.9° | 120.1° |
| C12 | C13 | C14 | 121.5° | 120.0° |
| C12 | C11 | C16 | 121.7° | 120.1° |
| C12 | C11 | H19 | 119.1° | 119.9° |
| C13 | C14 | F02 | 120.1° | 120.1° |
| C13 | C14 | C15 | 121.4° | 119.9° |
| C11 | C16 | C15 | 121.0° | 120.0° |
| C16 | C11 | H19 | 119.1° | 120.0° |
| C11 | C16 | H20 | 119.5° | 120.0° |
| F02 | C14 | C15 | 118.5° | 120.0° |
| C14 | C15 | C16 | 117.5° | 119.8° |
| C14 | C15 | O02 | 120.4° | 120.1° |
| C16 | C15 | O02 | 122.2° | 120.1° |
| C15 | C16 | H20 | 119.5° | 119.9° |
| C15 | O02 | H17 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.5° | 109.0° |
| H4 | C04 | H5 | 109.5° | 109.2° |
| H6 | C05 | H7 | 109.5° | 109.8° |
| H8 | C06 | H9 | 109.5° | 110.5° |
| H10 | C07 | H11 | 109.4° | 110.0° |
| H14 | C09 | H15 | 109.5° | 109.5° |
| H14 | C09 | H16 | 109.5° | 109.5° |
| H15 | C09 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C07 | C06 | H10 | 119.3° | 119.4° |
| C08 | C07 | C06 | H11 | 119.3° | 119.3° |
| C07 | C08 | O01 | C03 | 117.0° | 116.9° |
| C07 | C08 | O01 | H12 | 121.3° | 121.6° |
| C07 | C08 | C03 | H12 | 116.4° | 119.2° |
| C08 | C07 | C06 | C02 | 3.4° | 23.4° |
| C07 | C08 | C03 | C02 | 43.5° | 26.2° |
| C07 | C08 | C03 | C04 | 78.1° | 90.4° |
| C07 | C08 | C03 | C09 | 160.0° | 146.7° |
| C08 | C07 | C06 | H8 | 122.9° | 141.9° |
| C08 | C07 | C06 | H9 | 116.1° | 95.1° |
| C08 | C07 | H10 | H11 | 122.2° | 121.4° |
| C07 | C08 | O01 | H13 | 180.0° | 61.5° |
| C06 | C07 | C08 | O01 | 92.1° | 117.5° |
| C06 | C07 | C08 | C03 | 29.4° | 1.8° |
| C07 | C06 | C02 | H8 | 119.5° | 118.6° |
| C07 | C06 | C02 | H9 | 119.5° | 118.6° |
| C07 | C06 | C02 | C03 | 23.4° | 39.7° |
| C07 | C06 | C02 | C01 | 146.6° | 162.4° |
| C07 | C06 | C02 | H3 | 92.8° | 76.1° |
| C07 | C06 | H8 | H9 | 121.5° | 123.1° |
| C06 | C07 | H10 | H11 | 122.1° | 121.3° |
| C06 | C07 | C08 | H12 | 145.7° | 120.9° |
| O01 | C08 | C03 | H12 | 122.8° | 121.6° |
| O01 | C08 | C03 | C02 | 77.3° | 93.0° |
| O01 | C08 | C03 | C04 | 161.1° | 150.4° |
| O01 | C08 | C03 | C09 | 39.2° | 27.5° |
| O01 | C08 | C07 | H10 | 148.7° | 1.8° |
| O01 | C08 | C07 | H11 | 27.2° | 123.3° |
| C08 | C03 | C02 | C06 | 40.7° | 40.7° |
| C08 | C03 | C02 | C04 | 121.0° | 113.7° |
| C08 | C03 | C02 | C09 | 117.9° | 120.9° |
| C08 | C03 | C04 | C09 | 124.0° | 123.3° |
| C08 | C03 | C02 | C01 | 162.3° | 162.7° |
| C08 | C03 | C04 | C05 | 162.9° | 165.2° |
| C08 | C03 | C02 | H3 | 75.5° | 75.1° |
| C08 | C03 | C04 | H4 | 76.5° | 74.4° |
| C08 | C03 | C04 | H5 | 42.4° | 44.9° |
| C03 | C08 | C07 | H10 | 89.9° | 121.1° |
| C03 | C08 | C07 | H11 | 148.7° | 117.5° |
| C03 | C08 | O01 | H13 | 63.1° | 178.4° |
| C08 | C03 | C09 | H14 | 180.0° | 55.2° |
| C08 | C03 | C09 | H15 | 60.0° | 64.8° |
| C08 | C03 | C09 | H16 | 60.0° | 175.2° |
| C06 | C02 | C03 | C01 | 121.6° | 122.0° |
| C06 | C02 | C03 | H3 | 116.2° | 115.8° |
| C06 | C02 | C03 | C04 | 80.3° | 73.0° |
| C06 | C02 | C03 | C09 | 158.6° | 161.6° |
| C06 | C02 | C01 | H3 | 120.6° | 121.4° |
| C06 | C02 | C01 | C10 | 76.7° | 64.8° |
| C06 | C02 | C01 | H1 | 44.4° | 55.7° |
| C06 | C02 | C01 | H2 | 162.2° | 174.6° |
| C02 | C06 | H8 | H9 | 121.4° | 122.8° |
| C02 | C06 | C07 | H10 | 115.9° | 95.9° |
| C02 | C06 | C07 | H11 | 122.7° | 142.7° |
| C02 | C03 | C04 | C09 | 122.1° | 125.4° |
| C03 | C02 | C01 | H3 | 122.2° | 122.2° |
| C02 | C03 | C04 | C05 | 49.1° | 53.9° |
| C03 | C02 | C01 | C10 | 40.5° | 51.6° |
| C03 | C02 | C01 | H1 | 161.6° | 172.2° |
| C03 | C02 | C01 | H2 | 80.6° | 68.9° |
| C02 | C03 | C04 | H4 | 169.7° | 174.2° |
| C02 | C03 | C04 | H5 | 71.5° | 66.5° |
| C03 | C02 | C06 | H8 | 96.1° | 158.3° |
| C03 | C02 | C06 | H9 | 142.9° | 78.9° |
| C02 | C03 | C08 | H12 | 159.9° | 145.4° |
| C02 | C03 | C09 | H14 | 69.2° | 60.0° |
| C02 | C03 | C09 | H15 | 50.8° | 179.9° |
| C02 | C03 | C09 | H16 | 170.8° | 60.0° |
| C04 | C03 | C02 | C01 | 41.3° | 49.0° |
| C03 | C04 | C05 | H4 | 120.6° | 120.3° |
| C03 | C04 | C05 | H5 | 120.6° | 120.4° |
| C03 | C04 | C05 | C10 | 54.5° | 61.9° |
| C04 | C03 | C02 | H3 | 163.5° | 171.2° |
| C03 | C04 | H4 | H5 | 118.2° | 119.3° |
| C03 | C04 | C05 | H6 | 66.0° | 57.5° |
| C03 | C04 | C05 | H7 | 175.0° | 178.1° |
| C04 | C03 | C08 | H12 | 38.3° | 28.8° |
| C04 | C03 | C09 | H14 | 55.3° | 175.2° |
| C04 | C03 | C09 | H15 | 175.3° | 55.2° |
| C04 | C03 | C09 | H16 | 64.7° | 64.8° |
| C09 | C03 | C02 | C01 | 79.8° | 76.4° |
| C09 | C03 | C04 | C05 | 73.0° | 71.5° |
| C09 | C03 | C02 | H3 | 42.4° | 45.9° |
| C09 | C03 | C04 | H4 | 47.6° | 48.9° |
| C09 | C03 | C04 | H5 | 166.4° | 168.1° |
| C09 | C03 | C08 | H12 | 83.6° | 94.0° |
| C03 | C09 | H14 | H15 | 120.0° | 120.0° |
| C03 | C09 | H14 | H16 | 120.0° | 120.0° |
| C03 | C09 | H15 | H16 | 120.0° | 120.0° |
| C02 | C01 | C10 | H1 | 121.1° | 120.5° |
| C02 | C01 | C10 | H2 | 121.1° | 120.4° |
| C02 | C01 | C10 | C05 | 45.2° | 58.2° |
| C02 | C01 | C10 | C12 | 177.0° | 178.7° |
| C02 | C01 | H1 | H2 | 116.5° | 118.9° |
| C01 | C02 | C06 | H8 | 27.1° | 79.1° |
| C01 | C02 | C06 | H9 | 93.9° | 43.7° |
| C02 | C01 | C10 | H18 | 67.6° | 60.7° |
| C04 | C05 | C10 | C01 | 51.3° | 63.1° |
| C04 | C05 | C10 | H6 | 120.5° | 119.7° |
| C04 | C05 | C10 | H7 | 120.5° | 119.9° |
| C04 | C05 | C10 | C12 | 174.9° | 176.6° |
| C05 | C04 | H4 | H5 | 118.2° | 119.4° |
| C04 | C05 | H6 | H7 | 118.5° | 120.4° |
| C04 | C05 | C10 | H18 | 61.5° | 56.5° |
| C01 | C10 | C05 | C12 | 133.8° | 120.3° |
| C01 | C10 | C05 | H18 | 112.8° | 119.5° |
| C01 | C10 | C12 | H18 | 115.3° | 120.6° |
| C01 | C10 | C12 | C13 | 123.0° | 120.0° |
| C01 | C10 | C12 | C11 | 57.3° | 60.1° |
| C10 | C01 | H1 | H2 | 116.5° | 119.1° |
| C10 | C01 | C02 | H3 | 162.7° | 173.7° |
| C01 | C10 | C05 | H6 | 69.2° | 56.6° |
| C01 | C10 | C05 | H7 | 171.8° | 177.0° |
| C05 | C10 | C12 | H18 | 113.4° | 119.5° |
| C05 | C10 | C12 | C13 | 105.7° | 120.1° |
| C05 | C10 | C12 | C11 | 74.0° | 59.9° |
| C05 | C10 | C01 | H1 | 166.3° | 178.7° |
| C05 | C10 | C01 | H2 | 75.9° | 62.2° |
| C10 | C05 | C04 | H4 | 175.1° | 177.8° |
| C10 | C05 | C04 | H5 | 66.1° | 58.5° |
| C10 | C05 | H6 | H7 | 118.5° | 120.4° |
| C10 | C12 | C13 | F01 | 0.0° | 0.0° |
| C10 | C12 | C13 | C11 | 179.7° | 180.0° |
| C10 | C12 | C13 | C14 | 179.9° | 180.0° |
| C10 | C12 | C11 | C16 | 179.9° | 180.0° |
| C12 | C10 | C01 | H1 | 61.9° | 60.8° |
| C12 | C10 | C01 | H2 | 55.9° | 58.3° |
| C12 | C10 | C05 | H6 | 64.6° | 63.8° |
| C12 | C10 | C05 | H7 | 54.5° | 56.7° |
| C10 | C12 | C11 | H19 | 0.1° | 0.4° |
| F01 | C13 | C12 | C14 | 179.9° | 180.0° |
| F01 | C13 | C12 | C11 | 179.8° | 179.9° |
| F01 | C13 | C14 | F02 | 0.1° | 0.0° |
| F01 | C13 | C14 | C15 | 179.8° | 180.0° |
| C13 | C12 | C11 | C16 | 0.1° | 0.1° |
| C12 | C13 | C14 | F02 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C12 | C10 | H18 | 7.7° | 0.6° |
| C13 | C12 | C11 | H19 | 179.9° | 179.7° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C16 | H19 | 180.0° | 179.6° |
| C12 | C11 | C16 | C15 | 0.1° | 0.0° |
| C11 | C12 | C10 | H18 | 172.6° | 179.3° |
| C12 | C11 | C16 | H20 | 179.9° | 179.7° |
| C13 | C14 | F02 | C15 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | O02 | 180.0° | 180.0° |
| C11 | C16 | C15 | C14 | 0.1° | 0.0° |
| C11 | C16 | C15 | H20 | 180.0° | 179.8° |
| C11 | C16 | C15 | O02 | 180.0° | 180.0° |
| F02 | C14 | C15 | C16 | 180.0° | 180.0° |
| F02 | C14 | C15 | O02 | 0.2° | 0.0° |
| C14 | C15 | C16 | O02 | 179.8° | 180.0° |
| C14 | C15 | O02 | H17 | 180.0° | 90.0° |
| C14 | C15 | C16 | H20 | 179.9° | 179.8° |
| C16 | C15 | O02 | H17 | 0.2° | 90.0° |
| C15 | C16 | C11 | H19 | 179.9° | 179.7° |
| O02 | C15 | C16 | H20 | 0.0° | 0.2° |
| H1 | C01 | C02 | H3 | 76.2° | 65.7° |
| H1 | C01 | C10 | H18 | 53.5° | 59.9° |
| H2 | C01 | C02 | H3 | 41.6° | 53.2° |
| H2 | C01 | C10 | H18 | 171.3° | 178.9° |
| H3 | C02 | C06 | H8 | 147.7° | 42.4° |
| H3 | C02 | C06 | H9 | 26.7° | 165.3° |
| H4 | C04 | C05 | H6 | 54.6° | 62.8° |
| H4 | C04 | C05 | H7 | 64.4° | 57.8° |
| H5 | C04 | C05 | H6 | 173.4° | 177.9° |
| H5 | C04 | C05 | H7 | 54.4° | 61.6° |
| H6 | C05 | C10 | H18 | 178.0° | 176.1° |
| H7 | C05 | C10 | H18 | 59.0° | 63.4° |
| H8 | C06 | C07 | H10 | 3.6° | 22.6° |
| H8 | C06 | C07 | H11 | 117.8° | 98.8° |
| H9 | C06 | C07 | H10 | 124.6° | 145.5° |
| H9 | C06 | C07 | H11 | 3.2° | 24.2° |
| H10 | C07 | C08 | H12 | 26.4° | 119.8° |
| H11 | C07 | C08 | H12 | 95.0° | 1.6° |
| H12 | C08 | O01 | H13 | 58.7° | 60.1° |
| H14 | C09 | H15 | H16 | 120.0° | 120.0° |
| H19 | C11 | C16 | H20 | 0.1° | 0.1° |
