FW4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | N20 | sing | 1.47Å | 1.42Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| N20 | C19 | sing | 1.47Å | 1.43Å | |
| F26 | C25 | sing | 1.35Å | 1.33Å | |
| C24 | C25 | doub | 1.38Å | 1.49Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.48Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.47Å | |
| C25 | C02 | sing | 1.39Å | 1.50Å | Aromatic |
| C23 | C04 | doub | 1.38Å | 1.52Å | Aromatic |
| C22 | N17 | sing | 1.47Å | 1.40Å | |
| C18 | N17 | sing | 1.47Å | 1.43Å | |
| C02 | CL1 | sing | 1.74Å | 1.71Å | |
| C02 | C03 | doub | 1.38Å | 1.49Å | Aromatic |
| N17 | C16 | sing | 1.38Å | 1.42Å | |
| C04 | C03 | sing | 1.38Å | 1.48Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.58Å | |
| C05 | N06 | sing | 1.46Å | 1.47Å | |
| C16 | N06 | sing | 1.37Å | 1.38Å | Aromatic |
| C16 | N15 | doub | 1.31Å | 1.38Å | Aromatic |
| N06 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| N15 | C14 | sing | 1.36Å | 1.36Å | Aromatic |
| C07 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.55Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.56Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.53Å | Aromatic |
| C13 | C11 | doub | 1.38Å | 1.49Å | Aromatic |
| C09 | C11 | sing | 1.39Å | 1.46Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.48Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C03 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| N20 | H21 | sing | 1.01Å | 1.00Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N20 | C21 | C22 | 114.6° | 109.4° |
| C21 | N20 | C19 | 113.7° | 110.9° |
| N20 | C21 | H5 | 108.2° | 109.5° |
| N20 | C21 | H6 | 108.2° | 109.5° |
| C21 | N20 | H21 | 108.4° | 111.0° |
| C21 | C22 | N17 | 116.9° | 109.4° |
| C22 | C21 | H5 | 108.2° | 109.5° |
| C22 | C21 | H6 | 108.2° | 109.5° |
| C21 | C22 | H7 | 107.6° | 109.5° |
| C21 | C22 | H8 | 107.6° | 109.5° |
| N20 | C19 | C18 | 112.4° | 109.4° |
| N20 | C19 | H19 | 108.7° | 109.5° |
| N20 | C19 | H20 | 108.7° | 109.5° |
| C19 | N20 | H21 | 108.4° | 111.0° |
| F26 | C25 | C24 | 120.6° | 120.0° |
| F26 | C25 | C02 | 120.0° | 120.0° |
| C25 | C24 | C23 | 119.6° | 120.0° |
| C24 | C25 | C02 | 119.4° | 120.0° |
| C25 | C24 | H9 | 120.2° | 120.0° |
| C24 | C23 | C04 | 121.1° | 120.1° |
| C23 | C24 | H9 | 120.2° | 120.0° |
| C24 | C23 | H23 | 119.5° | 120.0° |
| C19 | C18 | N17 | 116.9° | 109.4° |
| C19 | C18 | H17 | 107.6° | 109.5° |
| C19 | C18 | H18 | 107.6° | 109.5° |
| C18 | C19 | H19 | 108.7° | 109.5° |
| C18 | C19 | H20 | 108.8° | 109.5° |
| C25 | C02 | CL1 | 120.0° | 120.0° |
| C25 | C02 | C03 | 121.0° | 119.9° |
| C23 | C04 | C03 | 119.1° | 120.1° |
| C23 | C04 | C05 | 121.3° | 119.9° |
| C04 | C23 | H23 | 119.5° | 120.0° |
| C22 | N17 | C18 | 121.3° | 110.9° |
| C22 | N17 | C16 | 122.1° | 111.0° |
| N17 | C22 | H7 | 107.6° | 109.5° |
| N17 | C22 | H8 | 107.6° | 109.5° |
| C18 | N17 | C16 | 115.9° | 111.0° |
| N17 | C18 | H17 | 107.6° | 109.5° |
| N17 | C18 | H18 | 107.6° | 109.5° |
| CL1 | C02 | C03 | 119.0° | 120.0° |
| C02 | C03 | C04 | 119.9° | 120.0° |
| C02 | C03 | H10 | 120.0° | 120.0° |
| N17 | C16 | N06 | 129.5° | 125.1° |
| N17 | C16 | N15 | 121.0° | 125.0° |
| C03 | C04 | C05 | 119.6° | 120.0° |
| C04 | C03 | H10 | 120.1° | 120.0° |
| C04 | C05 | N06 | 105.8° | 109.5° |
| C04 | C05 | H11 | 110.4° | 109.5° |
| C04 | C05 | H12 | 110.4° | 109.5° |
| C05 | N06 | C16 | 128.7° | 126.4° |
| C05 | N06 | C07 | 124.2° | 126.4° |
| N06 | C05 | H11 | 110.4° | 109.5° |
| N06 | C05 | H12 | 110.4° | 109.5° |
| N06 | C16 | N15 | 109.3° | 109.9° |
| C16 | N06 | C07 | 107.0° | 107.2° |
| C16 | N15 | C14 | 106.9° | 109.6° |
| N06 | C07 | C14 | 107.5° | 106.2° |
| N06 | C07 | C08 | 131.1° | 133.9° |
| N15 | C14 | C07 | 109.3° | 107.1° |
| N15 | C14 | C13 | 129.9° | 133.4° |
| C14 | C07 | C08 | 121.4° | 119.9° |
| C07 | C14 | C13 | 120.8° | 119.5° |
| C07 | C08 | C09 | 118.4° | 119.8° |
| C07 | C08 | H13 | 120.8° | 120.0° |
| C14 | C13 | C11 | 118.7° | 119.8° |
| C14 | C13 | H4 | 120.7° | 120.2° |
| C08 | C09 | C11 | 119.5° | 120.5° |
| C08 | C09 | C10 | 118.9° | 119.8° |
| C09 | C08 | H13 | 120.8° | 120.1° |
| C13 | C11 | C09 | 121.3° | 120.5° |
| C13 | C11 | C12 | 115.6° | 119.8° |
| C11 | C13 | H4 | 120.7° | 120.1° |
| C11 | C09 | C10 | 121.6° | 119.8° |
| C09 | C11 | C12 | 123.1° | 119.8° |
| C09 | C10 | H1 | 109.5° | 109.4° |
| C09 | C10 | H2 | 109.5° | 109.5° |
| C09 | C10 | H3 | 109.5° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.4° |
| C11 | C12 | H15 | 109.5° | 109.4° |
| C11 | C12 | H16 | 109.4° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H11 | C05 | H12 | 109.5° | 109.4° |
| H14 | C12 | H15 | 109.4° | 109.5° |
| H14 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.4° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N20 | C21 | C22 | H5 | 120.7° | 120.0° |
| N20 | C21 | C22 | H6 | 120.8° | 120.0° |
| C21 | N20 | C19 | H21 | 120.6° | 123.9° |
| C21 | N20 | C19 | C18 | 54.0° | 59.3° |
| N20 | C21 | C22 | N17 | 28.7° | 58.4° |
| N20 | C21 | H5 | H6 | 117.7° | 120.0° |
| N20 | C21 | C22 | H7 | 92.4° | 61.6° |
| N20 | C21 | C22 | H8 | 149.8° | 178.4° |
| C21 | N20 | C19 | H19 | 66.4° | 179.3° |
| C21 | N20 | C19 | H20 | 174.5° | 60.6° |
| C22 | C21 | N20 | C19 | 50.0° | 59.3° |
| C21 | C22 | N17 | H7 | 121.1° | 119.9° |
| C21 | C22 | N17 | H8 | 121.1° | 120.0° |
| C21 | C22 | N17 | C18 | 13.1° | 59.3° |
| C21 | C22 | N17 | C16 | 177.1° | 176.8° |
| C22 | C21 | H5 | H6 | 117.7° | 120.1° |
| C21 | C22 | H7 | H8 | 116.6° | 120.0° |
| C22 | C21 | N20 | H21 | 170.7° | 176.8° |
| N20 | C19 | C18 | H19 | 120.4° | 120.0° |
| N20 | C19 | C18 | H20 | 120.4° | 119.9° |
| N20 | C19 | C18 | N17 | 37.3° | 58.4° |
| C19 | N20 | C21 | H5 | 170.8° | 60.7° |
| C19 | N20 | C21 | H6 | 70.7° | 179.3° |
| N20 | C19 | C18 | H17 | 158.4° | 61.6° |
| N20 | C19 | C18 | H18 | 83.8° | 178.4° |
| N20 | C19 | H19 | H20 | 118.7° | 120.1° |
| F26 | C25 | C24 | C02 | 179.4° | 179.9° |
| F26 | C25 | C24 | C23 | 179.7° | 180.0° |
| F26 | C25 | C02 | CL1 | 1.2° | 0.0° |
| F26 | C25 | C02 | C03 | 179.5° | 180.0° |
| F26 | C25 | C24 | H9 | 0.3° | 0.2° |
| C25 | C24 | C23 | H9 | 180.0° | 179.7° |
| C25 | C24 | C23 | C04 | 0.6° | 0.0° |
| C24 | C25 | C02 | CL1 | 179.4° | 180.0° |
| C24 | C25 | C02 | C03 | 0.1° | 0.0° |
| C25 | C24 | C23 | H23 | 179.4° | 179.9° |
| C23 | C24 | C25 | C02 | 0.3° | 0.0° |
| C24 | C23 | C04 | H23 | 180.0° | 179.9° |
| C24 | C23 | C04 | C03 | 0.7° | 0.0° |
| C24 | C23 | C04 | C05 | 179.8° | 179.9° |
| C19 | C18 | N17 | C22 | 17.8° | 59.3° |
| C19 | C18 | N17 | H17 | 121.1° | 120.0° |
| C19 | C18 | N17 | H18 | 121.1° | 120.0° |
| C19 | C18 | N17 | C16 | 171.8° | 176.8° |
| C19 | C18 | H17 | H18 | 116.6° | 120.1° |
| C18 | C19 | H19 | H20 | 118.7° | 120.0° |
| C18 | C19 | N20 | H21 | 174.7° | 176.8° |
| C25 | C02 | CL1 | C03 | 179.3° | 180.0° |
| C25 | C02 | C03 | C04 | 0.2° | 0.0° |
| C02 | C25 | C24 | H9 | 179.7° | 179.7° |
| C25 | C02 | C03 | H10 | 179.8° | 180.0° |
| C23 | C04 | C03 | C02 | 0.5° | 0.0° |
| C23 | C04 | C03 | C05 | 179.5° | 180.0° |
| C23 | C04 | C05 | N06 | 143.0° | 90.0° |
| C04 | C23 | C24 | H9 | 179.4° | 179.8° |
| C23 | C04 | C03 | H10 | 179.5° | 180.0° |
| C23 | C04 | C05 | H11 | 97.6° | 30.0° |
| C23 | C04 | C05 | H12 | 23.6° | 150.0° |
| C22 | N17 | C18 | C16 | 170.4° | 123.9° |
| C22 | N17 | C16 | N06 | 140.5° | 124.1° |
| C22 | N17 | C16 | N15 | 45.8° | 55.8° |
| N17 | C22 | C21 | H5 | 149.5° | 61.6° |
| N17 | C22 | C21 | H6 | 92.0° | 178.3° |
| N17 | C22 | H7 | H8 | 116.6° | 120.1° |
| C22 | N17 | C18 | H17 | 138.9° | 60.7° |
| C22 | N17 | C18 | H18 | 103.3° | 179.3° |
| C18 | N17 | C16 | N06 | 49.2° | 112.0° |
| C18 | N17 | C16 | N15 | 124.5° | 68.0° |
| C18 | N17 | C22 | H7 | 108.0° | 60.6° |
| C18 | N17 | C22 | H8 | 134.2° | 179.3° |
| N17 | C18 | H17 | H18 | 116.6° | 120.0° |
| N17 | C18 | C19 | H19 | 83.1° | 178.4° |
| N17 | C18 | C19 | H20 | 157.7° | 61.6° |
| CL1 | C02 | C03 | C04 | 179.5° | 180.0° |
| CL1 | C02 | C03 | H10 | 0.5° | 0.0° |
| C02 | C03 | C04 | H10 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 180.0° | 179.9° |
| N17 | C16 | N06 | C05 | 5.8° | 0.1° |
| N17 | C16 | N06 | N15 | 174.3° | 180.0° |
| N17 | C16 | N06 | C07 | 175.7° | 179.9° |
| N17 | C16 | N15 | C14 | 176.6° | 180.0° |
| C16 | N17 | C22 | H7 | 61.8° | 63.3° |
| C16 | N17 | C22 | H8 | 56.0° | 56.8° |
| C16 | N17 | C18 | H17 | 50.7° | 63.2° |
| C16 | N17 | C18 | H18 | 67.1° | 56.8° |
| C03 | C04 | C05 | N06 | 36.5° | 90.0° |
| C03 | C04 | C05 | H11 | 83.0° | 150.0° |
| C03 | C04 | C05 | H12 | 155.9° | 30.0° |
| C03 | C04 | C23 | H23 | 179.3° | 180.0° |
| C04 | C05 | N06 | H11 | 119.4° | 120.0° |
| C04 | C05 | N06 | H12 | 119.4° | 120.0° |
| C04 | C05 | N06 | C16 | 83.8° | 90.4° |
| C04 | C05 | N06 | C07 | 94.5° | 89.8° |
| C05 | C04 | C03 | H10 | 0.0° | 0.1° |
| C04 | C05 | H11 | H12 | 121.7° | 119.9° |
| C05 | C04 | C23 | H23 | 0.2° | 0.0° |
| C05 | N06 | C16 | C07 | 178.5° | 179.9° |
| C05 | N06 | C16 | N15 | 179.9° | 180.0° |
| C05 | N06 | C07 | C14 | 179.1° | 179.9° |
| C05 | N06 | C07 | C08 | 0.8° | 0.1° |
| N06 | C05 | H11 | H12 | 121.7° | 120.0° |
| N06 | C16 | N15 | C14 | 1.7° | 0.1° |
| C16 | N06 | C07 | C14 | 0.5° | 0.1° |
| C16 | N06 | C07 | C08 | 179.3° | 180.0° |
| C16 | N06 | C05 | H11 | 156.8° | 149.6° |
| C16 | N06 | C05 | H12 | 35.7° | 29.6° |
| N15 | C16 | N06 | C07 | 1.4° | 0.1° |
| C16 | N15 | C14 | C07 | 1.4° | 0.0° |
| C16 | N15 | C14 | C13 | 178.8° | 180.0° |
| N06 | C07 | C14 | N15 | 0.6° | 0.0° |
| N06 | C07 | C14 | C08 | 179.9° | 179.9° |
| N06 | C07 | C14 | C13 | 179.6° | 180.0° |
| N06 | C07 | C08 | C09 | 179.8° | 179.8° |
| C07 | N06 | C05 | H11 | 25.0° | 30.2° |
| C07 | N06 | C05 | H12 | 146.1° | 150.2° |
| N06 | C07 | C08 | H13 | 0.2° | 0.1° |
| N15 | C14 | C07 | C13 | 179.8° | 180.0° |
| N15 | C14 | C07 | C08 | 179.6° | 180.0° |
| N15 | C14 | C13 | C11 | 179.4° | 180.0° |
| N15 | C14 | C13 | H4 | 0.5° | 0.2° |
| C14 | C07 | C08 | C09 | 0.1° | 0.3° |
| C07 | C14 | C13 | C11 | 0.3° | 0.0° |
| C07 | C14 | C13 | H4 | 179.7° | 179.8° |
| C14 | C07 | C08 | H13 | 180.0° | 180.0° |
| C08 | C07 | C14 | C13 | 0.3° | 0.0° |
| C07 | C08 | C09 | H13 | 180.0° | 179.7° |
| C07 | C08 | C09 | C11 | 0.1° | 0.6° |
| C07 | C08 | C09 | C10 | 179.7° | 180.0° |
| C14 | C13 | C11 | H4 | 180.0° | 179.8° |
| C14 | C13 | C11 | C09 | 0.2° | 0.3° |
| C14 | C13 | C11 | C12 | 179.9° | 179.7° |
| C08 | C09 | C11 | C13 | 0.0° | 0.6° |
| C08 | C09 | C11 | C10 | 179.8° | 179.4° |
| C08 | C09 | C11 | C12 | 179.9° | 179.4° |
| C08 | C09 | C10 | H1 | 89.9° | 90.0° |
| C08 | C09 | C10 | H2 | 150.1° | 150.0° |
| C08 | C09 | C10 | H3 | 30.1° | 30.0° |
| C13 | C11 | C09 | C12 | 179.9° | 180.0° |
| C13 | C11 | C09 | C10 | 179.8° | 180.0° |
| C13 | C11 | C12 | H14 | 90.0° | 90.0° |
| C13 | C11 | C12 | H15 | 150.0° | 150.0° |
| C13 | C11 | C12 | H16 | 30.0° | 30.0° |
| C11 | C09 | C10 | H1 | 89.9° | 90.6° |
| C11 | C09 | C10 | H2 | 30.1° | 29.4° |
| C11 | C09 | C10 | H3 | 150.1° | 149.5° |
| C09 | C11 | C13 | H4 | 179.8° | 180.0° |
| C11 | C09 | C08 | H13 | 179.9° | 179.7° |
| C09 | C11 | C12 | H14 | 90.0° | 90.0° |
| C09 | C11 | C12 | H15 | 30.0° | 30.0° |
| C09 | C11 | C12 | H16 | 150.1° | 150.0° |
| C10 | C09 | C11 | C12 | 0.3° | 0.0° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C09 | C08 | H13 | 0.3° | 0.3° |
| C12 | C11 | C13 | H4 | 0.1° | 0.0° |
| C11 | C12 | H14 | H15 | 120.0° | 119.9° |
| C11 | C12 | H14 | H16 | 120.0° | 120.0° |
| C11 | C12 | H15 | H16 | 120.0° | 120.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H5 | C21 | C22 | H7 | 28.4° | 178.5° |
| H5 | C21 | C22 | H8 | 89.5° | 58.4° |
| H5 | C21 | N20 | H21 | 68.5° | 63.2° |
| H6 | C21 | C22 | H7 | 146.9° | 58.4° |
| H6 | C21 | C22 | H8 | 29.0° | 61.6° |
| H6 | C21 | N20 | H21 | 49.9° | 56.9° |
| H9 | C24 | C23 | H23 | 0.6° | 0.3° |
| H14 | C12 | H15 | H16 | 120.0° | 120.1° |
| H17 | C18 | C19 | H19 | 37.9° | 58.4° |
| H17 | C18 | C19 | H20 | 81.2° | 178.5° |
| H18 | C18 | C19 | H19 | 155.8° | 61.6° |
| H18 | C18 | C19 | H20 | 36.6° | 58.4° |
| H19 | C19 | N20 | H21 | 54.3° | 56.9° |
| H20 | C19 | N20 | H21 | 64.9° | 63.2° |
