FWJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | S15 | doub | 1.42Å | 1.48Å | |
| O17 | S15 | doub | 1.42Å | 1.40Å | |
| S15 | N12 | sing | 1.66Å | 1.65Å | |
| S15 | C18 | sing | 1.76Å | 1.78Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | N09 | sing | 1.47Å | 1.42Å | |
| N12 | C11 | sing | 1.47Å | 1.44Å | |
| N12 | C13 | sing | 1.47Å | 1.44Å | |
| C27 | C18 | doub | 1.36Å | 1.42Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | N09 | sing | 1.47Å | 1.39Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.40Å | 1.49Å | Aromatic |
| N09 | C07 | sing | 1.35Å | 1.44Å | |
| C26 | C25 | doub | 1.36Å | 1.46Å | Aromatic |
| C07 | O08 | doub | 1.21Å | 1.15Å | |
| C07 | C06 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | doub | 1.41Å | 1.43Å | Aromatic |
| C19 | C24 | sing | 1.42Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.36Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.52Å | |
| C25 | C24 | sing | 1.40Å | 1.45Å | Aromatic |
| C24 | C23 | doub | 1.40Å | 1.47Å | Aromatic |
| C21 | N22 | doub | 1.33Å | 1.38Å | Aromatic |
| C23 | N22 | sing | 1.31Å | 1.35Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.44Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.43Å | Aromatic |
| C29 | C02 | sing | 1.38Å | 1.35Å | Aromatic |
| C02 | F01 | sing | 1.35Å | 1.31Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | S15 | O17 | 104.2° | 123.2° |
| O16 | S15 | N12 | 110.3° | 106.4° |
| O16 | S15 | C18 | 109.6° | 106.4° |
| O17 | S15 | N12 | 108.9° | 106.4° |
| O17 | S15 | C18 | 113.7° | 106.4° |
| N12 | S15 | C18 | 109.9° | 107.2° |
| S15 | N12 | C11 | 121.7° | 120.6° |
| S15 | N12 | C13 | 122.8° | 120.6° |
| S15 | C18 | C27 | 118.3° | 120.3° |
| S15 | C18 | C19 | 121.0° | 120.3° |
| C11 | C10 | N09 | 112.9° | 108.6° |
| C10 | C11 | N12 | 109.8° | 108.6° |
| C11 | C10 | H1 | 108.6° | 109.6° |
| C11 | C10 | H2 | 108.6° | 109.7° |
| C10 | C11 | H13 | 109.4° | 109.6° |
| C10 | C11 | H14 | 109.4° | 109.6° |
| C10 | N09 | C14 | 117.1° | 118.8° |
| C10 | N09 | C07 | 121.5° | 120.6° |
| N09 | C10 | H1 | 108.6° | 109.6° |
| N09 | C10 | H2 | 108.6° | 109.6° |
| C11 | N12 | C13 | 115.4° | 118.8° |
| N12 | C11 | H13 | 109.4° | 109.6° |
| N12 | C11 | H14 | 109.4° | 109.6° |
| N12 | C13 | C14 | 110.0° | 108.6° |
| N12 | C13 | H3 | 109.4° | 109.6° |
| N12 | C13 | H4 | 109.3° | 109.6° |
| C18 | C27 | C26 | 119.9° | 121.0° |
| C27 | C18 | C19 | 120.7° | 119.4° |
| C18 | C27 | H19 | 120.1° | 119.4° |
| C27 | C26 | C25 | 119.7° | 121.1° |
| C27 | C26 | H7 | 120.1° | 119.4° |
| C26 | C27 | H19 | 120.1° | 119.5° |
| N09 | C14 | C13 | 112.5° | 108.6° |
| C14 | N09 | C07 | 121.4° | 120.6° |
| N09 | C14 | H15 | 108.7° | 109.6° |
| N09 | C14 | H16 | 108.7° | 109.6° |
| C14 | C13 | H3 | 109.3° | 109.7° |
| C14 | C13 | H4 | 109.3° | 109.7° |
| C13 | C14 | H15 | 108.7° | 109.6° |
| C13 | C14 | H16 | 108.7° | 109.6° |
| C18 | C19 | C20 | 122.5° | 122.2° |
| C18 | C19 | C24 | 119.4° | 119.6° |
| N09 | C07 | O08 | 118.8° | 120.0° |
| N09 | C07 | C06 | 119.7° | 120.0° |
| C26 | C25 | C24 | 120.4° | 119.5° |
| C25 | C26 | H7 | 120.1° | 119.5° |
| C26 | C25 | H18 | 119.8° | 120.2° |
| O08 | C07 | C06 | 121.6° | 120.0° |
| C07 | C06 | C05 | 111.0° | 109.4° |
| C07 | C06 | H11 | 109.1° | 109.5° |
| C07 | C06 | H12 | 109.1° | 109.5° |
| C20 | C19 | C24 | 118.1° | 118.2° |
| C19 | C20 | C21 | 120.2° | 118.7° |
| C19 | C20 | H5 | 119.9° | 120.6° |
| C19 | C24 | C25 | 119.9° | 119.4° |
| C19 | C24 | C23 | 120.3° | 118.6° |
| C20 | C21 | N22 | 120.9° | 121.9° |
| C21 | C20 | H5 | 119.9° | 120.7° |
| C20 | C21 | H6 | 119.6° | 119.1° |
| C06 | C05 | C04 | 121.6° | 120.0° |
| C06 | C05 | C28 | 118.1° | 120.0° |
| C05 | C06 | H11 | 109.1° | 109.5° |
| C05 | C06 | H12 | 109.1° | 109.5° |
| C25 | C24 | C23 | 119.8° | 122.1° |
| C24 | C25 | H18 | 119.8° | 120.2° |
| C24 | C23 | N22 | 120.1° | 119.9° |
| C24 | C23 | H17 | 119.9° | 120.0° |
| C21 | N22 | C23 | 120.3° | 122.8° |
| N22 | C21 | H6 | 119.5° | 119.1° |
| N22 | C23 | H17 | 119.9° | 120.0° |
| C04 | C05 | C28 | 120.2° | 120.1° |
| C05 | C04 | C03 | 119.4° | 120.0° |
| C05 | C04 | H10 | 120.3° | 120.0° |
| C05 | C28 | C29 | 120.4° | 120.0° |
| C05 | C28 | H8 | 119.8° | 120.0° |
| C04 | C03 | C02 | 119.7° | 120.0° |
| C04 | C03 | H9 | 120.1° | 120.0° |
| C03 | C04 | H10 | 120.3° | 120.0° |
| C28 | C29 | C02 | 119.8° | 119.9° |
| C29 | C28 | H8 | 119.8° | 120.0° |
| C28 | C29 | H20 | 120.1° | 120.0° |
| C03 | C02 | C29 | 120.4° | 120.0° |
| C03 | C02 | F01 | 121.2° | 120.0° |
| C02 | C03 | H9 | 120.1° | 120.1° |
| C29 | C02 | F01 | 118.3° | 120.0° |
| C02 | C29 | H20 | 120.1° | 120.1° |
| H1 | C10 | H2 | 109.5° | 109.7° |
| H3 | C13 | H4 | 109.5° | 109.6° |
| H11 | C06 | H12 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.8° |
| H15 | C14 | H16 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | S15 | O17 | N12 | 117.7° | 122.9° |
| O16 | S15 | O17 | C18 | 119.3° | 123.0° |
| O16 | S15 | N12 | C18 | 121.0° | 113.5° |
| O16 | S15 | N12 | C11 | 43.1° | 162.7° |
| O16 | S15 | N12 | C13 | 140.6° | 17.3° |
| O16 | S15 | C18 | C27 | 21.0° | 99.4° |
| O16 | S15 | C18 | C19 | 159.0° | 80.7° |
| O17 | S15 | N12 | C18 | 125.2° | 113.6° |
| O17 | S15 | N12 | C11 | 156.9° | 29.8° |
| O17 | S15 | N12 | C13 | 26.7° | 150.2° |
| O17 | S15 | C18 | C27 | 137.2° | 127.7° |
| O17 | S15 | C18 | C19 | 42.8° | 52.2° |
| S15 | N12 | C11 | C10 | 130.0° | 124.7° |
| S15 | N12 | C11 | C13 | 176.6° | 180.0° |
| N12 | S15 | C18 | C27 | 100.4° | 14.1° |
| S15 | N12 | C13 | C14 | 129.5° | 124.7° |
| N12 | S15 | C18 | C19 | 79.6° | 165.8° |
| S15 | N12 | C13 | H3 | 110.4° | 115.5° |
| S15 | N12 | C13 | H4 | 9.4° | 4.8° |
| S15 | N12 | C11 | H13 | 110.0° | 115.5° |
| S15 | N12 | C11 | H14 | 9.9° | 5.0° |
| C18 | S15 | N12 | C11 | 77.9° | 83.8° |
| C18 | S15 | N12 | C13 | 98.5° | 96.2° |
| S15 | C18 | C27 | C19 | 180.0° | 179.9° |
| S15 | C18 | C27 | C26 | 179.7° | 179.7° |
| S15 | C18 | C19 | C20 | 0.5° | 0.0° |
| S15 | C18 | C19 | C24 | 179.7° | 179.9° |
| S15 | C18 | C27 | H19 | 0.3° | 0.0° |
| C11 | C10 | N09 | H1 | 120.5° | 119.7° |
| C11 | C10 | N09 | H2 | 120.5° | 119.8° |
| C10 | C11 | N12 | H13 | 120.0° | 119.8° |
| C10 | C11 | N12 | H14 | 120.1° | 119.7° |
| C10 | C11 | N12 | C13 | 53.4° | 55.3° |
| C11 | C10 | N09 | C14 | 48.2° | 55.3° |
| C11 | C10 | N09 | C07 | 132.5° | 124.7° |
| C11 | C10 | H1 | H2 | 118.4° | 120.4° |
| C10 | C11 | H13 | H14 | 119.9° | 120.4° |
| N09 | C10 | C11 | N12 | 47.9° | 49.4° |
| C10 | N09 | C14 | C07 | 179.3° | 180.0° |
| C10 | N09 | C14 | C13 | 48.5° | 55.3° |
| C10 | N09 | C07 | O08 | 0.4° | 0.0° |
| C10 | N09 | C07 | C06 | 179.4° | 180.0° |
| N09 | C10 | H1 | H2 | 118.4° | 120.4° |
| N09 | C10 | C11 | H13 | 72.2° | 70.3° |
| N09 | C10 | C11 | H14 | 167.9° | 169.2° |
| C10 | N09 | C14 | H15 | 72.0° | 175.0° |
| C10 | N09 | C14 | H16 | 169.0° | 64.5° |
| C11 | N12 | C13 | C14 | 53.9° | 55.3° |
| N12 | C11 | C10 | H1 | 72.7° | 169.2° |
| N12 | C11 | C10 | H2 | 168.4° | 70.3° |
| C11 | N12 | C13 | H3 | 66.1° | 64.5° |
| C11 | N12 | C13 | H4 | 174.0° | 175.1° |
| N12 | C11 | H13 | H14 | 119.8° | 120.5° |
| N12 | C13 | C14 | N09 | 49.0° | 49.4° |
| N12 | C13 | C14 | H3 | 120.1° | 119.8° |
| N12 | C13 | C14 | H4 | 120.1° | 119.8° |
| N12 | C13 | H3 | H4 | 119.8° | 120.3° |
| C13 | N12 | C11 | H13 | 66.6° | 64.5° |
| C13 | N12 | C11 | H14 | 173.5° | 175.0° |
| N12 | C13 | C14 | H15 | 71.4° | 169.2° |
| N12 | C13 | C14 | H16 | 169.5° | 70.3° |
| C18 | C27 | C26 | H19 | 180.0° | 179.7° |
| C18 | C27 | C26 | C25 | 0.0° | 0.8° |
| C27 | C18 | C19 | C20 | 179.5° | 179.9° |
| C27 | C18 | C19 | C24 | 0.4° | 0.0° |
| C18 | C27 | C26 | H7 | 180.0° | 179.7° |
| C26 | C27 | C18 | C19 | 0.3° | 0.3° |
| C27 | C26 | C25 | H7 | 180.0° | 178.9° |
| C27 | C26 | C25 | C24 | 0.3° | 1.0° |
| C27 | C26 | C25 | H18 | 179.7° | 179.9° |
| N09 | C14 | C13 | H15 | 120.5° | 119.7° |
| N09 | C14 | C13 | H16 | 120.4° | 119.7° |
| C14 | N09 | C07 | O08 | 179.6° | 180.0° |
| C14 | N09 | C07 | C06 | 0.2° | 0.0° |
| C14 | N09 | C10 | H1 | 72.3° | 175.0° |
| C14 | N09 | C10 | H2 | 168.7° | 64.5° |
| N09 | C14 | C13 | H3 | 71.0° | 70.3° |
| N09 | C14 | C13 | H4 | 169.1° | 169.2° |
| N09 | C14 | H15 | H16 | 118.6° | 120.5° |
| C13 | C14 | N09 | C07 | 132.2° | 124.7° |
| C14 | C13 | H3 | H4 | 119.8° | 120.5° |
| C13 | C14 | H15 | H16 | 118.6° | 120.4° |
| C18 | C19 | C20 | C24 | 179.2° | 180.0° |
| C18 | C19 | C20 | C21 | 179.6° | 180.0° |
| C18 | C19 | C24 | C25 | 0.0° | 0.2° |
| C18 | C19 | C24 | C23 | 180.0° | 179.6° |
| C18 | C19 | C20 | H5 | 0.4° | 0.2° |
| C19 | C18 | C27 | H19 | 179.7° | 180.0° |
| N09 | C07 | O08 | C06 | 179.8° | 180.0° |
| N09 | C07 | C06 | C05 | 96.8° | 180.0° |
| C07 | N09 | C10 | H1 | 107.0° | 5.0° |
| C07 | N09 | C10 | H2 | 12.0° | 115.5° |
| N09 | C07 | C06 | H11 | 23.5° | 60.0° |
| N09 | C07 | C06 | H12 | 143.0° | 60.0° |
| C07 | N09 | C14 | H15 | 107.3° | 5.0° |
| C07 | N09 | C14 | H16 | 11.8° | 115.5° |
| C26 | C25 | C24 | C19 | 0.3° | 0.7° |
| C26 | C25 | C24 | H18 | 180.0° | 179.1° |
| C26 | C25 | C24 | C23 | 179.6° | 180.0° |
| C25 | C26 | C27 | H19 | 180.0° | 179.5° |
| O08 | C07 | C06 | C05 | 83.5° | 0.0° |
| O08 | C07 | C06 | H11 | 156.3° | 120.0° |
| O08 | C07 | C06 | H12 | 36.7° | 120.0° |
| C07 | C06 | C05 | H11 | 120.2° | 120.0° |
| C07 | C06 | C05 | H12 | 120.2° | 120.0° |
| C07 | C06 | C05 | C04 | 155.0° | 90.0° |
| C07 | C06 | C05 | C28 | 24.7° | 90.0° |
| C07 | C06 | H11 | H12 | 119.3° | 120.0° |
| C19 | C20 | C21 | H5 | 180.0° | 179.8° |
| C20 | C19 | C24 | C25 | 179.3° | 179.8° |
| C20 | C19 | C24 | C23 | 0.8° | 0.5° |
| C19 | C20 | C21 | N22 | 1.1° | 0.2° |
| C19 | C20 | C21 | H6 | 178.9° | 179.8° |
| C24 | C19 | C20 | C21 | 1.2° | 0.0° |
| C19 | C24 | C25 | C23 | 179.9° | 179.3° |
| C19 | C24 | C23 | N22 | 0.3° | 0.7° |
| C24 | C19 | C20 | H5 | 178.8° | 179.8° |
| C19 | C24 | C23 | H17 | 179.7° | 180.0° |
| C19 | C24 | C25 | H18 | 179.7° | 179.8° |
| C20 | C21 | N22 | H6 | 180.0° | 180.0° |
| C20 | C21 | N22 | C23 | 0.5° | 0.0° |
| C06 | C05 | C04 | C28 | 179.7° | 180.0° |
| C06 | C05 | C04 | C03 | 179.9° | 179.4° |
| C06 | C05 | C28 | C29 | 179.8° | 180.0° |
| C06 | C05 | C28 | H8 | 0.2° | 0.2° |
| C06 | C05 | C04 | H10 | 0.1° | 0.2° |
| C05 | C06 | H11 | H12 | 119.3° | 120.0° |
| C25 | C24 | C23 | N22 | 179.8° | 179.9° |
| C24 | C25 | C26 | H7 | 179.6° | 179.9° |
| C25 | C24 | C23 | H17 | 0.2° | 0.6° |
| C24 | C23 | N22 | C21 | 0.1° | 0.5° |
| C24 | C23 | N22 | H17 | 180.0° | 179.3° |
| C23 | C24 | C25 | H18 | 0.4° | 0.9° |
| N22 | C21 | C20 | H5 | 178.9° | 180.0° |
| C21 | N22 | C23 | H17 | 179.9° | 179.8° |
| C23 | N22 | C21 | H6 | 179.5° | 180.0° |
| C05 | C04 | C03 | H10 | 180.0° | 179.2° |
| C04 | C05 | C28 | C29 | 0.1° | 0.1° |
| C05 | C04 | C03 | C02 | 0.5° | 0.9° |
| C04 | C05 | C28 | H8 | 179.9° | 179.7° |
| C05 | C04 | C03 | H9 | 179.5° | 179.7° |
| C04 | C05 | C06 | H11 | 34.8° | 150.0° |
| C04 | C05 | C06 | H12 | 84.7° | 30.0° |
| C28 | C05 | C04 | C03 | 0.4° | 0.6° |
| C05 | C28 | C29 | H8 | 180.0° | 179.8° |
| C05 | C28 | C29 | C02 | 0.0° | 0.2° |
| C28 | C05 | C04 | H10 | 179.6° | 179.8° |
| C28 | C05 | C06 | H11 | 144.9° | 30.0° |
| C28 | C05 | C06 | H12 | 95.6° | 150.0° |
| C05 | C28 | C29 | H20 | 180.0° | 179.7° |
| C04 | C03 | C02 | H9 | 180.0° | 179.4° |
| C04 | C03 | C02 | C29 | 0.4° | 0.6° |
| C04 | C03 | C02 | F01 | 179.7° | 179.5° |
| C28 | C29 | C02 | C03 | 0.1° | 0.1° |
| C28 | C29 | C02 | H20 | 180.0° | 179.9° |
| C28 | C29 | C02 | F01 | 180.0° | 180.0° |
| C03 | C02 | C29 | F01 | 180.0° | 179.9° |
| C02 | C03 | C04 | H10 | 179.5° | 179.9° |
| C03 | C02 | C29 | H20 | 179.9° | 180.0° |
| C02 | C29 | C28 | H8 | 180.0° | 180.0° |
| C29 | C02 | C03 | H9 | 179.6° | 180.0° |
| F01 | C02 | C03 | H9 | 0.3° | 0.1° |
| F01 | C02 | C29 | H20 | 0.0° | 0.1° |
| H1 | C10 | C11 | H13 | 167.3° | 49.4° |
| H1 | C10 | C11 | H14 | 47.4° | 71.1° |
| H2 | C10 | C11 | H13 | 48.3° | 169.9° |
| H2 | C10 | C11 | H14 | 71.6° | 49.4° |
| H3 | C13 | C14 | H15 | 168.5° | 49.4° |
| H3 | C13 | C14 | H16 | 49.4° | 169.9° |
| H4 | C13 | C14 | H15 | 48.6° | 71.0° |
| H4 | C13 | C14 | H16 | 70.5° | 49.5° |
| H5 | C20 | C21 | H6 | 1.1° | 0.0° |
| H7 | C26 | C25 | H18 | 0.4° | 1.0° |
| H7 | C26 | C27 | H19 | 0.1° | 0.6° |
| H8 | C28 | C29 | H20 | 0.0° | 0.1° |
| H9 | C03 | C04 | H10 | 0.5° | 0.5° |
