6WU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.55Å | 1.54Å | |
| O02 | C15 | sing | 1.43Å | 1.41Å | |
| C15 | C10 | sing | 1.56Å | 1.53Å | |
| C13 | C09 | sing | 1.54Å | 1.54Å | |
| C10 | C09 | sing | 1.54Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C16 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.50Å | 1.54Å | |
| C11 | C12 | sing | 1.49Å | 1.51Å | |
| C08 | C07 | sing | 1.50Å | 1.52Å | |
| C12 | C07 | doub | 1.31Å | 1.35Å | |
| C07 | C05 | sing | 1.48Å | 1.37Å | |
| F01 | C02 | sing | 1.35Å | 1.32Å | |
| C05 | C02 | doub | 1.40Å | 1.36Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.35Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.34Å | Aromatic |
| C06 | C03 | doub | 1.38Å | 1.35Å | Aromatic |
| C01 | C04 | doub | 1.39Å | 1.34Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.34Å | Aromatic |
| C03 | F02 | sing | 1.35Å | 1.33Å | |
| C04 | O01 | sing | 1.36Å | 1.36Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| O01 | H3 | sing | 0.97Å | 0.95Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| O02 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 106.7° | 106.6° |
| C14 | C15 | O02 | 109.2° | 110.1° |
| C14 | C15 | C10 | 104.9° | 106.1° |
| C15 | C14 | H12 | 110.2° | 110.0° |
| C15 | C14 | H13 | 110.2° | 110.0° |
| C14 | C15 | H14 | 110.0° | 110.1° |
| C14 | C13 | C09 | 105.5° | 103.0° |
| C14 | C13 | H10 | 110.5° | 110.7° |
| C14 | C13 | H11 | 110.5° | 110.9° |
| C13 | C14 | H12 | 110.1° | 110.0° |
| C13 | C14 | H13 | 110.2° | 110.0° |
| O02 | C15 | C10 | 110.8° | 110.1° |
| O02 | C15 | H14 | 111.7° | 110.2° |
| C15 | O02 | H18 | 109.5° | 114.0° |
| C15 | C10 | C09 | 102.4° | 102.0° |
| C15 | C10 | C11 | 108.8° | 105.5° |
| C15 | C10 | C16 | 113.4° | 113.5° |
| C10 | C15 | H14 | 109.9° | 110.1° |
| C13 | C09 | C10 | 104.7° | 102.8° |
| C13 | C09 | C08 | 115.8° | 114.5° |
| C13 | C09 | H6 | 107.4° | 108.5° |
| C09 | C13 | H10 | 110.5° | 110.7° |
| C09 | C13 | H11 | 110.4° | 110.7° |
| C09 | C10 | C11 | 109.6° | 109.9° |
| C09 | C10 | C16 | 111.7° | 112.7° |
| C10 | C09 | C08 | 113.7° | 113.5° |
| C10 | C09 | H6 | 107.4° | 108.5° |
| C11 | C10 | C16 | 110.7° | 112.6° |
| C10 | C11 | C12 | 115.7° | 112.8° |
| C10 | C11 | H7 | 107.9° | 108.9° |
| C10 | C11 | H8 | 107.9° | 108.9° |
| C10 | C16 | H15 | 109.5° | 109.4° |
| C10 | C16 | H16 | 109.5° | 109.4° |
| C10 | C16 | H17 | 109.5° | 109.5° |
| C09 | C08 | C07 | 118.1° | 113.0° |
| C09 | C08 | H4 | 107.3° | 108.8° |
| C09 | C08 | H5 | 107.3° | 108.7° |
| C08 | C09 | H6 | 107.4° | 108.6° |
| C11 | C12 | C07 | 127.3° | 124.4° |
| C12 | C11 | H7 | 107.9° | 108.9° |
| C12 | C11 | H8 | 107.9° | 108.6° |
| C11 | C12 | H9 | 116.4° | 117.9° |
| C08 | C07 | C12 | 115.9° | 123.2° |
| C08 | C07 | C05 | 121.7° | 118.4° |
| C07 | C08 | H4 | 107.3° | 108.8° |
| C07 | C08 | H5 | 107.3° | 108.8° |
| C12 | C07 | C05 | 122.0° | 118.4° |
| C07 | C12 | H9 | 116.3° | 117.7° |
| C07 | C05 | C02 | 123.1° | 120.1° |
| C07 | C05 | C06 | 123.0° | 120.1° |
| F01 | C02 | C05 | 123.1° | 120.1° |
| F01 | C02 | C01 | 114.4° | 120.0° |
| C02 | C05 | C06 | 113.9° | 119.8° |
| C05 | C02 | C01 | 122.4° | 119.9° |
| C05 | C06 | C03 | 124.0° | 119.9° |
| C05 | C06 | H2 | 118.0° | 120.0° |
| C02 | C01 | C04 | 122.4° | 120.1° |
| C02 | C01 | H1 | 118.8° | 119.9° |
| C06 | C03 | C04 | 120.8° | 120.1° |
| C06 | C03 | F02 | 119.9° | 119.9° |
| C03 | C06 | H2 | 118.0° | 120.0° |
| C01 | C04 | C03 | 116.4° | 120.2° |
| C01 | C04 | O01 | 121.5° | 119.9° |
| C04 | C01 | H1 | 118.8° | 120.0° |
| C04 | C03 | F02 | 119.3° | 120.0° |
| C03 | C04 | O01 | 122.1° | 119.9° |
| C04 | O01 | H3 | 109.5° | 114.0° |
| H4 | C08 | H5 | 109.5° | 108.8° |
| H7 | C11 | H8 | 109.5° | 108.7° |
| H10 | C13 | H11 | 109.5° | 110.6° |
| H12 | C14 | H13 | 109.4° | 110.0° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H17 | 109.4° | 109.6° |
| H16 | C16 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H12 | 119.6° | 119.3° |
| C15 | C14 | C13 | H13 | 119.6° | 119.3° |
| C14 | C15 | O02 | C10 | 115.1° | 116.6° |
| C14 | C15 | O02 | H14 | 121.9° | 121.7° |
| C14 | C15 | C10 | H14 | 118.2° | 119.2° |
| C15 | C14 | C13 | C09 | 2.4° | 23.5° |
| C14 | C15 | C10 | C09 | 37.5° | 28.3° |
| C14 | C15 | C10 | C11 | 78.4° | 86.5° |
| C14 | C15 | C10 | C16 | 157.9° | 149.8° |
| C15 | C14 | C13 | H10 | 116.9° | 141.8° |
| C15 | C14 | C13 | H11 | 121.8° | 95.0° |
| C15 | C14 | H12 | H13 | 121.3° | 121.4° |
| C14 | C15 | O02 | H18 | 180.0° | 61.4° |
| C13 | C14 | C15 | O02 | 97.0° | 116.1° |
| C13 | C14 | C15 | C10 | 21.8° | 3.1° |
| C14 | C13 | C09 | H10 | 119.4° | 118.4° |
| C14 | C13 | C09 | H11 | 119.4° | 118.6° |
| C14 | C13 | C09 | C10 | 25.8° | 41.4° |
| C14 | C13 | C09 | C08 | 151.8° | 165.0° |
| C14 | C13 | C09 | H6 | 88.2° | 73.4° |
| C14 | C13 | H10 | H11 | 121.9° | 123.4° |
| C13 | C14 | H12 | H13 | 121.3° | 121.4° |
| C13 | C14 | C15 | H14 | 140.0° | 122.2° |
| O02 | C15 | C10 | H14 | 124.0° | 121.7° |
| O02 | C15 | C10 | C09 | 80.3° | 90.9° |
| O02 | C15 | C10 | C11 | 163.8° | 154.3° |
| O02 | C15 | C10 | C16 | 40.2° | 30.6° |
| O02 | C15 | C14 | H12 | 143.4° | 3.3° |
| O02 | C15 | C14 | H13 | 22.6° | 124.7° |
| C15 | C10 | C09 | C13 | 39.1° | 43.1° |
| C15 | C10 | C09 | C11 | 115.4° | 111.5° |
| C15 | C10 | C09 | C16 | 121.6° | 122.1° |
| C15 | C10 | C11 | C16 | 125.2° | 124.3° |
| C15 | C10 | C09 | C08 | 166.4° | 167.4° |
| C15 | C10 | C11 | C12 | 148.8° | 152.0° |
| C15 | C10 | C09 | H6 | 74.9° | 71.8° |
| C15 | C10 | C11 | H7 | 90.3° | 87.0° |
| C15 | C10 | C11 | H8 | 27.9° | 31.3° |
| C10 | C15 | C14 | H12 | 97.7° | 122.4° |
| C10 | C15 | C14 | H13 | 141.4° | 116.2° |
| C15 | C10 | C16 | H15 | 180.0° | 55.2° |
| C15 | C10 | C16 | H16 | 60.0° | 64.7° |
| C15 | C10 | C16 | H17 | 60.0° | 175.3° |
| C10 | C15 | O02 | H18 | 65.0° | 178.1° |
| C13 | C09 | C10 | C08 | 127.3° | 124.3° |
| C13 | C09 | C10 | H6 | 113.9° | 114.8° |
| C13 | C09 | C10 | C11 | 76.3° | 68.5° |
| C13 | C09 | C10 | C16 | 160.7° | 165.1° |
| C13 | C09 | C08 | H6 | 120.0° | 121.5° |
| C13 | C09 | C08 | C07 | 81.5° | 77.5° |
| C13 | C09 | C08 | H4 | 39.8° | 161.6° |
| C13 | C09 | C08 | H5 | 157.3° | 43.3° |
| C09 | C13 | H10 | H11 | 121.8° | 123.1° |
| C09 | C13 | C14 | H12 | 122.0° | 95.8° |
| C09 | C13 | C14 | H13 | 117.2° | 142.7° |
| C09 | C10 | C11 | C16 | 123.6° | 126.4° |
| C10 | C09 | C08 | H6 | 118.7° | 120.8° |
| C09 | C10 | C11 | C12 | 37.6° | 42.8° |
| C10 | C09 | C08 | C07 | 39.8° | 40.2° |
| C10 | C09 | C08 | H4 | 161.1° | 80.7° |
| C10 | C09 | C08 | H5 | 81.4° | 161.0° |
| C09 | C10 | C11 | H7 | 158.5° | 163.8° |
| C09 | C10 | C11 | H8 | 83.3° | 77.9° |
| C10 | C09 | C13 | H10 | 93.6° | 159.7° |
| C10 | C09 | C13 | H11 | 145.1° | 77.2° |
| C09 | C10 | C15 | H14 | 155.7° | 147.4° |
| C09 | C10 | C16 | H15 | 65.0° | 60.1° |
| C09 | C10 | C16 | H16 | 55.0° | 180.0° |
| C09 | C10 | C16 | H17 | 175.0° | 60.0° |
| C11 | C10 | C09 | C08 | 51.0° | 55.9° |
| C10 | C11 | C12 | H7 | 120.9° | 121.0° |
| C10 | C11 | C12 | H8 | 120.9° | 120.8° |
| C10 | C11 | C12 | C07 | 11.7° | 17.4° |
| C11 | C10 | C09 | H6 | 169.8° | 176.7° |
| C10 | C11 | H7 | H8 | 117.2° | 118.4° |
| C10 | C11 | C12 | H9 | 168.3° | 162.1° |
| C11 | C10 | C15 | H14 | 39.8° | 32.6° |
| C11 | C10 | C16 | H15 | 57.4° | 175.0° |
| C11 | C10 | C16 | H16 | 177.4° | 55.1° |
| C11 | C10 | C16 | H17 | 62.6° | 64.9° |
| C16 | C10 | C09 | C08 | 72.0° | 70.5° |
| C16 | C10 | C11 | C12 | 86.0° | 83.7° |
| C16 | C10 | C09 | H6 | 46.8° | 50.3° |
| C16 | C10 | C11 | H7 | 34.9° | 37.4° |
| C16 | C10 | C11 | H8 | 153.1° | 155.7° |
| C16 | C10 | C15 | H14 | 83.9° | 91.1° |
| C10 | C16 | H15 | H16 | 120.0° | 119.9° |
| C10 | C16 | H15 | H17 | 120.0° | 120.1° |
| C10 | C16 | H16 | H17 | 120.0° | 120.0° |
| C09 | C08 | C07 | H4 | 121.2° | 120.9° |
| C09 | C08 | C07 | H5 | 121.2° | 120.8° |
| C09 | C08 | C07 | C12 | 11.7° | 12.7° |
| C09 | C08 | C07 | C05 | 175.5° | 167.0° |
| C09 | C08 | H4 | H5 | 116.1° | 118.2° |
| C08 | C09 | C13 | H10 | 32.5° | 76.6° |
| C08 | C09 | C13 | H11 | 88.8° | 46.4° |
| C11 | C12 | C07 | C08 | 2.5° | 1.3° |
| C11 | C12 | C07 | H9 | 180.0° | 179.5° |
| C11 | C12 | C07 | C05 | 170.3° | 178.5° |
| C12 | C11 | H7 | H8 | 117.2° | 118.2° |
| C08 | C07 | C12 | C05 | 172.8° | 179.8° |
| C08 | C07 | C05 | C02 | 120.9° | 105.0° |
| C08 | C07 | C05 | C06 | 59.8° | 75.1° |
| C07 | C08 | H4 | H5 | 116.1° | 118.3° |
| C07 | C08 | C09 | H6 | 158.6° | 161.0° |
| C08 | C07 | C12 | H9 | 177.5° | 178.3° |
| C12 | C07 | C05 | C02 | 66.7° | 75.2° |
| C12 | C07 | C05 | C06 | 112.5° | 104.7° |
| C12 | C07 | C08 | H4 | 133.0° | 108.2° |
| C12 | C07 | C08 | H5 | 109.5° | 133.5° |
| C07 | C12 | C11 | H7 | 132.6° | 138.4° |
| C07 | C12 | C11 | H8 | 109.2° | 103.4° |
| C07 | C05 | C02 | F01 | 0.6° | 0.1° |
| C07 | C05 | C02 | C06 | 179.3° | 179.9° |
| C07 | C05 | C02 | C01 | 179.7° | 180.0° |
| C07 | C05 | C06 | C03 | 179.6° | 179.7° |
| C07 | C05 | C06 | H2 | 0.4° | 0.0° |
| C05 | C07 | C08 | H4 | 54.3° | 72.0° |
| C05 | C07 | C08 | H5 | 63.3° | 46.3° |
| C05 | C07 | C12 | H9 | 9.7° | 1.9° |
| F01 | C02 | C05 | C01 | 179.7° | 180.0° |
| F01 | C02 | C05 | C06 | 180.0° | 180.0° |
| F01 | C02 | C01 | C04 | 180.0° | 180.0° |
| F01 | C02 | C01 | H1 | 0.0° | 0.2° |
| C02 | C05 | C06 | C03 | 0.3° | 0.3° |
| C05 | C02 | C01 | C04 | 0.3° | 0.0° |
| C05 | C02 | C01 | H1 | 179.7° | 179.7° |
| C02 | C05 | C06 | H2 | 179.7° | 180.0° |
| C06 | C05 | C02 | C01 | 0.4° | 0.0° |
| C05 | C06 | C03 | H2 | 180.0° | 179.7° |
| C05 | C06 | C03 | C04 | 0.1° | 0.6° |
| C05 | C06 | C03 | F02 | 179.9° | 179.9° |
| C02 | C01 | C04 | H1 | 180.0° | 179.8° |
| C02 | C01 | C04 | C03 | 0.1° | 0.3° |
| C02 | C01 | C04 | O01 | 179.9° | 179.8° |
| C06 | C03 | C04 | C01 | 0.0° | 0.6° |
| C06 | C03 | C04 | F02 | 180.0° | 179.3° |
| C06 | C03 | C04 | O01 | 180.0° | 179.5° |
| C01 | C04 | C03 | O01 | 180.0° | 180.0° |
| C01 | C04 | C03 | F02 | 180.0° | 179.9° |
| C01 | C04 | O01 | H3 | 180.0° | 90.0° |
| C03 | C04 | C01 | H1 | 179.9° | 180.0° |
| C04 | C03 | C06 | H2 | 179.9° | 179.7° |
| C03 | C04 | O01 | H3 | 0.0° | 90.0° |
| F02 | C03 | C04 | O01 | 0.0° | 0.1° |
| F02 | C03 | C06 | H2 | 0.1° | 0.4° |
| O01 | C04 | C01 | H1 | 0.1° | 0.0° |
| H4 | C08 | C09 | H6 | 80.2° | 40.1° |
| H5 | C08 | C09 | H6 | 37.3° | 78.2° |
| H6 | C09 | C13 | H10 | 152.5° | 44.9° |
| H6 | C09 | C13 | H11 | 31.2° | 168.0° |
| H7 | C11 | C12 | H9 | 47.4° | 41.1° |
| H8 | C11 | C12 | H9 | 70.8° | 77.1° |
| H10 | C13 | C14 | H12 | 2.7° | 22.5° |
| H10 | C13 | C14 | H13 | 123.5° | 99.0° |
| H11 | C13 | C14 | H12 | 118.6° | 145.7° |
| H11 | C13 | C14 | H13 | 2.2° | 24.3° |
| H12 | C14 | C15 | H14 | 20.5° | 118.4° |
| H13 | C14 | C15 | H14 | 100.4° | 3.0° |
| H14 | C15 | O02 | H18 | 58.1° | 60.3° |
| H15 | C16 | H16 | H17 | 120.0° | 120.1° |
