FFW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C03 | doub | 1.22Å | 1.39Å | |
| N04 | C03 | sing | 1.36Å | 1.33Å | |
| N04 | O28 | sing | 1.21Å | 1.32Å | |
| C03 | C02 | sing | 1.48Å | 1.42Å | |
| O28 | N01 | sing | 1.21Å | 1.31Å | |
| C02 | C06 | sing | 1.51Å | 1.50Å | |
| C02 | N01 | doub | 1.30Å | 1.33Å | |
| C06 | C07 | sing | 1.51Å | 1.52Å | |
| C12 | C09 | sing | 1.51Å | 1.53Å | |
| C07 | C09 | doub | 1.34Å | 1.37Å | Aromatic |
| C07 | C08 | sing | 1.47Å | 1.42Å | Aromatic |
| C09 | N11 | sing | 1.37Å | 1.33Å | Aromatic |
| O18 | C17 | doub | 1.21Å | 1.18Å | |
| N11 | C17 | sing | 1.35Å | 1.44Å | |
| N11 | C10 | sing | 1.38Å | 1.36Å | Aromatic |
| C08 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C08 | C10 | sing | 1.41Å | 1.37Å | Aromatic |
| C17 | C19 | sing | 1.48Å | 1.49Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | O26 | sing | 1.36Å | 1.40Å | |
| C14 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| O26 | C27 | sing | 1.43Å | 1.40Å | |
| C22 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | CL2 | sing | 1.74Å | 1.77Å | |
| C06 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| N04 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C03 | N04 | 128.7° | 129.0° |
| O05 | C03 | C02 | 125.5° | 129.0° |
| C03 | N04 | O28 | 107.9° | 108.2° |
| N04 | C03 | C02 | 105.8° | 102.1° |
| C03 | N04 | H16 | 126.0° | 125.9° |
| N04 | O28 | N01 | 111.8° | 116.2° |
| O28 | N04 | H16 | 126.0° | 125.9° |
| C03 | C02 | C06 | 123.5° | 128.6° |
| C03 | C02 | N01 | 107.4° | 102.8° |
| O28 | N01 | C02 | 107.1° | 110.7° |
| C06 | C02 | N01 | 129.1° | 128.6° |
| C02 | C06 | C07 | 113.6° | 109.5° |
| C02 | C06 | H1 | 108.4° | 109.5° |
| C02 | C06 | H2 | 108.4° | 109.4° |
| C06 | C07 | C09 | 122.9° | 126.4° |
| C06 | C07 | C08 | 129.8° | 126.4° |
| C07 | C06 | H1 | 108.4° | 109.5° |
| C07 | C06 | H2 | 108.4° | 109.5° |
| C12 | C09 | C07 | 120.7° | 125.1° |
| C12 | C09 | N11 | 131.0° | 125.0° |
| C09 | C12 | H7 | 109.5° | 109.5° |
| C09 | C12 | H8 | 109.4° | 109.5° |
| C09 | C12 | H9 | 109.5° | 109.5° |
| C09 | C07 | C08 | 107.2° | 107.2° |
| C07 | C09 | N11 | 108.4° | 109.9° |
| C07 | C08 | C13 | 132.8° | 133.9° |
| C07 | C08 | C10 | 106.4° | 106.1° |
| C09 | N11 | C17 | 122.2° | 125.2° |
| C09 | N11 | C10 | 110.4° | 109.7° |
| O18 | C17 | N11 | 119.7° | 120.0° |
| O18 | C17 | C19 | 110.7° | 120.0° |
| C17 | N11 | C10 | 127.2° | 125.1° |
| N11 | C17 | C19 | 128.1° | 120.0° |
| N11 | C10 | C08 | 107.6° | 107.1° |
| N11 | C10 | C15 | 132.9° | 133.3° |
| C13 | C08 | C10 | 120.8° | 120.0° |
| C08 | C13 | C14 | 119.4° | 119.6° |
| C08 | C13 | H3 | 120.3° | 120.2° |
| C08 | C10 | C15 | 119.5° | 119.6° |
| C17 | C19 | C20 | 104.5° | 120.1° |
| C17 | C19 | C21 | 132.3° | 120.2° |
| C13 | C14 | O26 | 118.3° | 119.9° |
| C13 | C14 | C16 | 120.5° | 120.3° |
| C14 | C13 | H3 | 120.3° | 120.2° |
| C10 | C15 | C16 | 119.5° | 120.0° |
| C10 | C15 | H10 | 120.3° | 120.0° |
| C20 | C19 | C21 | 121.7° | 119.7° |
| C19 | C20 | C22 | 121.4° | 119.9° |
| C19 | C20 | H4 | 119.3° | 120.0° |
| C19 | C21 | C23 | 116.7° | 119.8° |
| C19 | C21 | H5 | 121.6° | 120.0° |
| O26 | C14 | C16 | 121.2° | 119.8° |
| C14 | O26 | C27 | 116.1° | 117.0° |
| C14 | C16 | C15 | 120.3° | 120.5° |
| C14 | C16 | H11 | 119.9° | 119.7° |
| C20 | C22 | C24 | 116.7° | 120.1° |
| C22 | C20 | H4 | 119.3° | 120.1° |
| C20 | C22 | H6 | 121.6° | 120.0° |
| C16 | C15 | H10 | 120.2° | 120.0° |
| C15 | C16 | H11 | 119.8° | 119.7° |
| C21 | C23 | C24 | 120.3° | 120.2° |
| C23 | C21 | H5 | 121.7° | 120.2° |
| C21 | C23 | H12 | 119.8° | 119.9° |
| O26 | C27 | H13 | 109.5° | 109.5° |
| O26 | C27 | H14 | 109.5° | 109.5° |
| O26 | C27 | H15 | 109.5° | 109.4° |
| C22 | C24 | C23 | 122.6° | 120.3° |
| C22 | C24 | CL2 | 115.8° | 119.8° |
| C24 | C22 | H6 | 121.7° | 119.9° |
| C23 | C24 | CL2 | 121.6° | 119.9° |
| C24 | C23 | H12 | 119.9° | 120.0° |
| H1 | C06 | H2 | 109.5° | 109.4° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H7 | C12 | H9 | 109.4° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H13 | C27 | H14 | 109.5° | 109.5° |
| H13 | C27 | H15 | 109.4° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C03 | N04 | C02 | 179.5° | 179.7° |
| O05 | C03 | N04 | O28 | 179.4° | 179.7° |
| O05 | C03 | C02 | C06 | 1.4° | 0.2° |
| O05 | C03 | C02 | N01 | 179.5° | 179.7° |
| O05 | C03 | N04 | H16 | 0.6° | 0.2° |
| C03 | N04 | O28 | H16 | 180.0° | 179.9° |
| C03 | N04 | O28 | N01 | 0.2° | 0.0° |
| N04 | C03 | C02 | C06 | 179.1° | 180.0° |
| N04 | C03 | C02 | N01 | 0.0° | 0.0° |
| O28 | N04 | C03 | C02 | 0.1° | 0.0° |
| N04 | O28 | N01 | C02 | 0.2° | 0.0° |
| C03 | C02 | N01 | O28 | 0.1° | 0.0° |
| C03 | C02 | C06 | N01 | 178.9° | 179.9° |
| C03 | C02 | C06 | C07 | 81.0° | 180.0° |
| C03 | C02 | C06 | H1 | 158.4° | 60.0° |
| C03 | C02 | C06 | H2 | 39.5° | 60.0° |
| C02 | C03 | N04 | H16 | 179.9° | 179.9° |
| O28 | N01 | C02 | C06 | 179.2° | 180.0° |
| N01 | O28 | N04 | H16 | 179.8° | 179.9° |
| C02 | C06 | C07 | H1 | 120.6° | 120.0° |
| C02 | C06 | C07 | H2 | 120.6° | 120.0° |
| C02 | C06 | C07 | C09 | 129.9° | 89.9° |
| C02 | C06 | C07 | C08 | 53.6° | 89.7° |
| C02 | C06 | H1 | H2 | 118.1° | 119.9° |
| N01 | C02 | C06 | C07 | 100.1° | 0.1° |
| N01 | C02 | C06 | H1 | 20.5° | 120.0° |
| N01 | C02 | C06 | H2 | 139.3° | 120.1° |
| C06 | C07 | C09 | C12 | 2.6° | 0.0° |
| C06 | C07 | C09 | C08 | 177.2° | 179.7° |
| C06 | C07 | C09 | N11 | 177.4° | 179.9° |
| C06 | C07 | C08 | C13 | 3.1° | 0.0° |
| C06 | C07 | C08 | C10 | 177.6° | 179.9° |
| C07 | C06 | H1 | H2 | 118.1° | 120.0° |
| C12 | C09 | C07 | N11 | 180.0° | 180.0° |
| C12 | C09 | C07 | C08 | 179.8° | 179.7° |
| C12 | C09 | N11 | C17 | 4.3° | 0.0° |
| C12 | C09 | N11 | C10 | 179.6° | 179.8° |
| C09 | C12 | H7 | H8 | 120.0° | 120.0° |
| C09 | C12 | H7 | H9 | 120.0° | 120.0° |
| C09 | C12 | H8 | H9 | 120.0° | 120.0° |
| C07 | C09 | N11 | C17 | 175.7° | 180.0° |
| C07 | C09 | N11 | C10 | 0.4° | 0.1° |
| C09 | C07 | C08 | C13 | 179.9° | 179.7° |
| C09 | C07 | C08 | C10 | 0.7° | 0.2° |
| C09 | C07 | C06 | H1 | 109.5° | 150.0° |
| C09 | C07 | C06 | H2 | 9.3° | 30.1° |
| C07 | C09 | C12 | H7 | 90.0° | 90.0° |
| C07 | C09 | C12 | H8 | 150.0° | 150.0° |
| C07 | C09 | C12 | H9 | 30.0° | 30.0° |
| C08 | C07 | C09 | N11 | 0.2° | 0.2° |
| C07 | C08 | C10 | N11 | 1.0° | 0.1° |
| C07 | C08 | C13 | C10 | 179.1° | 179.9° |
| C07 | C08 | C13 | C14 | 179.2° | 180.0° |
| C07 | C08 | C10 | C15 | 179.2° | 180.0° |
| C08 | C07 | C06 | H1 | 67.0° | 30.3° |
| C08 | C07 | C06 | H2 | 174.2° | 150.3° |
| C07 | C08 | C13 | H3 | 0.8° | 0.1° |
| C09 | N11 | C17 | O18 | 6.7° | 94.9° |
| C09 | N11 | C17 | C10 | 174.5° | 179.8° |
| C09 | N11 | C10 | C08 | 0.9° | 0.0° |
| C09 | N11 | C17 | C19 | 171.1° | 85.1° |
| C09 | N11 | C10 | C15 | 179.4° | 179.9° |
| N11 | C09 | C12 | H7 | 90.0° | 90.0° |
| N11 | C09 | C12 | H8 | 30.0° | 30.0° |
| N11 | C09 | C12 | H9 | 150.0° | 149.9° |
| O18 | C17 | N11 | C19 | 164.4° | 180.0° |
| O18 | C17 | N11 | C10 | 178.8° | 84.9° |
| O18 | C17 | C19 | C20 | 105.5° | 5.1° |
| O18 | C17 | C19 | C21 | 59.9° | 175.0° |
| C17 | N11 | C10 | C08 | 175.9° | 179.8° |
| C17 | N11 | C10 | C15 | 4.3° | 0.0° |
| N11 | C17 | C19 | C20 | 60.0° | 174.9° |
| N11 | C17 | C19 | C21 | 134.5° | 5.0° |
| N11 | C10 | C08 | C13 | 179.7° | 179.8° |
| N11 | C10 | C08 | C15 | 179.8° | 179.9° |
| C10 | N11 | C17 | C19 | 14.4° | 95.1° |
| N11 | C10 | C15 | C16 | 179.7° | 179.8° |
| N11 | C10 | C15 | H10 | 0.2° | 0.1° |
| C08 | C13 | C14 | H3 | 180.0° | 179.9° |
| C13 | C08 | C10 | C15 | 0.1° | 0.1° |
| C08 | C13 | C14 | O26 | 179.8° | 180.0° |
| C08 | C13 | C14 | C16 | 0.3° | 0.0° |
| C10 | C08 | C13 | C14 | 0.1° | 0.0° |
| C08 | C10 | C15 | C16 | 0.0° | 0.1° |
| C10 | C08 | C13 | H3 | 180.0° | 179.9° |
| C08 | C10 | C15 | H10 | 180.0° | 180.0° |
| C17 | C19 | C20 | C21 | 167.4° | 180.0° |
| C17 | C19 | C20 | C22 | 175.3° | 179.9° |
| C17 | C19 | C21 | C23 | 171.5° | 179.5° |
| C17 | C19 | C20 | H4 | 4.7° | 0.3° |
| C17 | C19 | C21 | H5 | 8.5° | 0.3° |
| C13 | C14 | O26 | C16 | 179.5° | 180.0° |
| C13 | C14 | C16 | C15 | 0.4° | 0.0° |
| C13 | C14 | O26 | C27 | 162.9° | 180.0° |
| C13 | C14 | C16 | H11 | 179.6° | 180.0° |
| C10 | C15 | C16 | C14 | 0.2° | 0.1° |
| C10 | C15 | C16 | H10 | 180.0° | 179.9° |
| C10 | C15 | C16 | H11 | 179.7° | 179.9° |
| C19 | C20 | C22 | H4 | 180.0° | 179.7° |
| C20 | C19 | C21 | C23 | 8.1° | 0.5° |
| C19 | C20 | C22 | C24 | 3.7° | 0.3° |
| C20 | C19 | C21 | H5 | 171.9° | 179.7° |
| C19 | C20 | C22 | H6 | 176.3° | 179.8° |
| C21 | C19 | C20 | C22 | 7.9° | 0.0° |
| C19 | C21 | C23 | H5 | 180.0° | 179.2° |
| C19 | C21 | C23 | C24 | 4.7° | 0.8° |
| C21 | C19 | C20 | H4 | 172.1° | 179.7° |
| C19 | C21 | C23 | H12 | 175.3° | 179.2° |
| O26 | C14 | C16 | C15 | 179.9° | 180.0° |
| O26 | C14 | C13 | H3 | 0.2° | 0.1° |
| O26 | C14 | C16 | H11 | 0.1° | 0.0° |
| C14 | O26 | C27 | H13 | 180.0° | 60.0° |
| C14 | O26 | C27 | H14 | 60.0° | 180.0° |
| C14 | O26 | C27 | H15 | 60.0° | 60.1° |
| C14 | C16 | C15 | H11 | 180.0° | 180.0° |
| C16 | C14 | O26 | C27 | 16.6° | 0.0° |
| C16 | C14 | C13 | H3 | 179.7° | 179.9° |
| C14 | C16 | C15 | H10 | 179.7° | 180.0° |
| C20 | C22 | C24 | H6 | 180.0° | 179.9° |
| C20 | C22 | C24 | C23 | 0.3° | 0.0° |
| C20 | C22 | C24 | CL2 | 178.9° | 179.9° |
| C21 | C23 | C24 | C22 | 0.9° | 0.5° |
| C21 | C23 | C24 | H12 | 180.0° | 179.9° |
| C21 | C23 | C24 | CL2 | 178.2° | 179.5° |
| O26 | C27 | H13 | H14 | 120.0° | 120.0° |
| O26 | C27 | H13 | H15 | 120.0° | 120.0° |
| O26 | C27 | H14 | H15 | 120.0° | 119.9° |
| C22 | C24 | C23 | CL2 | 179.2° | 180.0° |
| C24 | C22 | C20 | H4 | 176.3° | 180.0° |
| C22 | C24 | C23 | H12 | 179.1° | 179.5° |
| C24 | C23 | C21 | H5 | 175.3° | 180.0° |
| C23 | C24 | C22 | H6 | 179.7° | 179.9° |
| CL2 | C24 | C22 | H6 | 1.1° | 0.0° |
| CL2 | C24 | C23 | H12 | 1.8° | 0.4° |
| H4 | C20 | C22 | H6 | 3.7° | 0.1° |
| H5 | C21 | C23 | H12 | 4.7° | 0.0° |
| H7 | C12 | H8 | H9 | 119.9° | 120.0° |
| H10 | C15 | C16 | H11 | 0.3° | 0.0° |
| H13 | C27 | H14 | H15 | 120.0° | 120.0° |
