FYD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| O27 | N26 | doub | 1.22Å | 1.25Å | |
| C32 | C24 | doub | 1.40Å | 1.38Å | Aromatic |
| C25 | N26 | sing | 1.48Å | 1.52Å | |
| C25 | C24 | sing | 1.40Å | 1.38Å | Aromatic |
| N26 | O28 | sing | 1.22Å | 1.18Å | |
| C24 | C02 | sing | 1.48Å | 1.50Å | |
| C02 | O01 | doub | 1.22Å | 1.23Å | |
| C02 | N03 | sing | 1.35Å | 1.35Å | |
| N03 | C04 | sing | 1.47Å | 1.40Å | |
| BR1 | C07 | sing | 1.89Å | 2.07Å | |
| C04 | C05 | sing | 1.51Å | 1.52Å | |
| C06 | C05 | doub | 1.38Å | 1.42Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C05 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C10 | doub | 1.39Å | 1.35Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.36Å | |
| C09 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | BR2 | sing | 1.89Å | 1.98Å | |
| O13 | C14 | sing | 1.35Å | 1.39Å | |
| O23 | C14 | doub | 1.22Å | 1.23Å | |
| C14 | C15 | sing | 1.47Å | 1.52Å | |
| C15 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | O21 | sing | 1.36Å | 1.36Å | |
| O21 | C22 | sing | 1.43Å | 1.42Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C19 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.08Å | 1.08Å | |
| C30 | H8 | sing | 1.08Å | 1.08Å | |
| C31 | H9 | sing | 1.08Å | 1.08Å | |
| C32 | H10 | sing | 1.08Å | 1.08Å | |
| N03 | H11 | sing | 0.97Å | 1.00Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C29 | 119.0° | 120.3° |
| C30 | C31 | C32 | 120.2° | 120.1° |
| C31 | C30 | H8 | 120.5° | 119.9° |
| C30 | C31 | H9 | 119.9° | 120.0° |
| C30 | C29 | C25 | 119.0° | 120.1° |
| C30 | C29 | H7 | 120.5° | 119.9° |
| C29 | C30 | H8 | 120.5° | 119.8° |
| C31 | C32 | C24 | 122.7° | 119.9° |
| C32 | C31 | H9 | 119.9° | 119.9° |
| C31 | C32 | H10 | 118.6° | 120.1° |
| C29 | C25 | N26 | 114.0° | 120.1° |
| C29 | C25 | C24 | 123.4° | 119.9° |
| C25 | C29 | H7 | 120.5° | 119.9° |
| O27 | N26 | C25 | 112.8° | 120.0° |
| O27 | N26 | O28 | 124.5° | 119.9° |
| C32 | C24 | C25 | 115.6° | 119.7° |
| C32 | C24 | C02 | 122.1° | 120.2° |
| C24 | C32 | H10 | 118.6° | 120.0° |
| N26 | C25 | C24 | 122.6° | 120.1° |
| C25 | N26 | O28 | 122.7° | 120.0° |
| C25 | C24 | C02 | 122.3° | 120.1° |
| C24 | C02 | O01 | 118.6° | 120.0° |
| C24 | C02 | N03 | 122.4° | 120.0° |
| O01 | C02 | N03 | 119.0° | 120.0° |
| C02 | N03 | C04 | 124.3° | 120.0° |
| C02 | N03 | H11 | 117.9° | 120.0° |
| N03 | C04 | C05 | 113.3° | 109.5° |
| C04 | N03 | H11 | 117.8° | 120.0° |
| N03 | C04 | H12 | 108.5° | 109.5° |
| N03 | C04 | H13 | 108.5° | 109.5° |
| BR1 | C07 | C06 | 120.4° | 120.0° |
| BR1 | C07 | C09 | 119.7° | 120.0° |
| C04 | C05 | C06 | 121.6° | 120.0° |
| C04 | C05 | C12 | 119.6° | 120.0° |
| C05 | C04 | H12 | 108.5° | 109.5° |
| C05 | C04 | H13 | 108.5° | 109.4° |
| C05 | C06 | C07 | 120.8° | 120.1° |
| C06 | C05 | C12 | 118.8° | 120.0° |
| C05 | C06 | H14 | 119.6° | 120.0° |
| C06 | C07 | C09 | 120.0° | 120.1° |
| C07 | C06 | H14 | 119.6° | 120.0° |
| C05 | C12 | C10 | 119.8° | 119.9° |
| C05 | C12 | O13 | 119.2° | 120.0° |
| C07 | C09 | C10 | 116.8° | 120.0° |
| C07 | C09 | H15 | 121.6° | 120.0° |
| C10 | C12 | O13 | 120.9° | 120.1° |
| C12 | C10 | C09 | 123.9° | 120.0° |
| C12 | C10 | BR2 | 115.3° | 120.1° |
| C12 | O13 | C14 | 124.5° | 116.9° |
| C09 | C10 | BR2 | 120.8° | 120.0° |
| C10 | C09 | H15 | 121.6° | 120.0° |
| C17 | C16 | C15 | 123.2° | 119.9° |
| C16 | C17 | C18 | 119.0° | 120.3° |
| C17 | C16 | H1 | 118.4° | 120.0° |
| C16 | C17 | H2 | 120.5° | 119.8° |
| C16 | C15 | C14 | 121.1° | 120.2° |
| C16 | C15 | C20 | 116.6° | 119.6° |
| C15 | C16 | H1 | 118.4° | 120.1° |
| C17 | C18 | C19 | 119.7° | 120.4° |
| C18 | C17 | H2 | 120.5° | 119.9° |
| C17 | C18 | H16 | 120.1° | 119.8° |
| O13 | C14 | O23 | 116.1° | 120.0° |
| O13 | C14 | C15 | 121.8° | 120.0° |
| O23 | C14 | C15 | 122.1° | 120.0° |
| C14 | C15 | C20 | 122.3° | 120.2° |
| C15 | C20 | C19 | 121.1° | 119.7° |
| C15 | C20 | O21 | 119.1° | 120.2° |
| C18 | C19 | C20 | 120.3° | 120.1° |
| C18 | C19 | H3 | 119.8° | 119.9° |
| C19 | C18 | H16 | 120.2° | 119.8° |
| C19 | C20 | O21 | 119.7° | 120.1° |
| C20 | C19 | H3 | 119.9° | 120.0° |
| C20 | O21 | C22 | 117.5° | 117.0° |
| O21 | C22 | H4 | 109.5° | 109.5° |
| O21 | C22 | H5 | 109.5° | 109.5° |
| O21 | C22 | H6 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H4 | C22 | H6 | 109.5° | 109.4° |
| H5 | C22 | H6 | 109.4° | 109.5° |
| H12 | C04 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C29 | H8 | 180.0° | 179.9° |
| C30 | C31 | C32 | H9 | 180.0° | 180.0° |
| C31 | C30 | C29 | C25 | 0.9° | 0.0° |
| C30 | C31 | C32 | C24 | 0.7° | 0.0° |
| C31 | C30 | C29 | H7 | 179.1° | 179.7° |
| C30 | C31 | C32 | H10 | 179.3° | 179.9° |
| C29 | C30 | C31 | C32 | 1.1° | 0.0° |
| C30 | C29 | C25 | H7 | 180.0° | 179.6° |
| C30 | C29 | C25 | N26 | 178.0° | 179.7° |
| C30 | C29 | C25 | C24 | 0.3° | 0.1° |
| C29 | C30 | C31 | H9 | 178.9° | 180.0° |
| C31 | C32 | C24 | H10 | 180.0° | 179.9° |
| C31 | C32 | C24 | C25 | 0.1° | 0.1° |
| C31 | C32 | C24 | C02 | 179.0° | 180.0° |
| C32 | C31 | C30 | H8 | 178.9° | 180.0° |
| C29 | C25 | N26 | O27 | 7.8° | 173.5° |
| C29 | C25 | C24 | C32 | 0.1° | 0.1° |
| C29 | C25 | N26 | C24 | 178.3° | 179.8° |
| C29 | C25 | N26 | O28 | 170.4° | 6.5° |
| C29 | C25 | C24 | C02 | 179.2° | 180.0° |
| C25 | C29 | C30 | H8 | 179.1° | 180.0° |
| O27 | N26 | C25 | O28 | 178.3° | 180.0° |
| O27 | N26 | C25 | C24 | 173.9° | 6.3° |
| C32 | C24 | C25 | N26 | 178.2° | 179.7° |
| C32 | C24 | C25 | C02 | 179.1° | 179.9° |
| C32 | C24 | C02 | O01 | 110.1° | 124.9° |
| C32 | C24 | C02 | N03 | 68.2° | 55.2° |
| C24 | C32 | C31 | H9 | 179.3° | 180.0° |
| N26 | C25 | C24 | C02 | 2.6° | 0.2° |
| N26 | C25 | C29 | H7 | 2.0° | 0.1° |
| C24 | C25 | N26 | O28 | 7.9° | 173.7° |
| C25 | C24 | C02 | O01 | 69.0° | 55.2° |
| C25 | C24 | C02 | N03 | 112.8° | 124.7° |
| C24 | C25 | C29 | H7 | 179.7° | 179.7° |
| C25 | C24 | C32 | H10 | 179.9° | 180.0° |
| C24 | C02 | O01 | N03 | 178.3° | 179.9° |
| C24 | C02 | N03 | C04 | 178.7° | 180.0° |
| C02 | C24 | C32 | H10 | 1.0° | 0.1° |
| C24 | C02 | N03 | H11 | 1.3° | 0.1° |
| O01 | C02 | N03 | C04 | 3.0° | 0.1° |
| O01 | C02 | N03 | H11 | 177.0° | 180.0° |
| C02 | N03 | C04 | H11 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 83.9° | 180.0° |
| C02 | N03 | C04 | H12 | 155.6° | 60.0° |
| C02 | N03 | C04 | H13 | 36.7° | 60.0° |
| N03 | C04 | C05 | H12 | 120.6° | 120.0° |
| N03 | C04 | C05 | H13 | 120.6° | 120.0° |
| N03 | C04 | C05 | C06 | 32.3° | 99.8° |
| N03 | C04 | C05 | C12 | 146.6° | 80.1° |
| N03 | C04 | H12 | H13 | 118.2° | 120.0° |
| BR1 | C07 | C06 | C05 | 179.6° | 180.0° |
| BR1 | C07 | C06 | C09 | 180.0° | 180.0° |
| BR1 | C07 | C09 | C10 | 179.6° | 180.0° |
| BR1 | C07 | C06 | H14 | 0.4° | 0.0° |
| BR1 | C07 | C09 | H15 | 0.4° | 0.0° |
| C04 | C05 | C06 | C12 | 178.8° | 179.8° |
| C04 | C05 | C06 | C07 | 179.3° | 180.0° |
| C04 | C05 | C12 | C10 | 179.5° | 179.8° |
| C04 | C05 | C12 | O13 | 0.4° | 0.1° |
| C05 | C04 | N03 | H11 | 96.1° | 0.0° |
| C05 | C04 | H12 | H13 | 118.3° | 120.0° |
| C04 | C05 | C06 | H14 | 0.7° | 0.0° |
| C05 | C06 | C07 | H14 | 180.0° | 180.0° |
| C05 | C06 | C07 | C09 | 0.4° | 0.0° |
| C06 | C05 | C12 | C10 | 0.6° | 0.4° |
| C06 | C05 | C12 | O13 | 179.3° | 179.7° |
| C06 | C05 | C04 | H12 | 152.8° | 140.2° |
| C06 | C05 | C04 | H13 | 88.3° | 20.2° |
| C07 | C06 | C05 | C12 | 0.5° | 0.2° |
| C06 | C07 | C09 | C10 | 0.4° | 0.0° |
| C06 | C07 | C09 | H15 | 179.6° | 179.9° |
| C05 | C12 | C10 | O13 | 179.9° | 179.9° |
| C05 | C12 | C10 | C09 | 0.6° | 0.4° |
| C05 | C12 | C10 | BR2 | 179.4° | 179.8° |
| C05 | C12 | O13 | C14 | 55.0° | 90.1° |
| C12 | C05 | C04 | H12 | 26.0° | 39.9° |
| C12 | C05 | C04 | H13 | 92.9° | 160.0° |
| C12 | C05 | C06 | H14 | 179.5° | 179.8° |
| C07 | C09 | C10 | C12 | 0.5° | 0.2° |
| C07 | C09 | C10 | H15 | 180.0° | 179.9° |
| C07 | C09 | C10 | BR2 | 179.3° | 180.0° |
| C09 | C07 | C06 | H14 | 179.6° | 180.0° |
| C12 | C10 | C09 | BR2 | 178.7° | 179.8° |
| C10 | C12 | O13 | C14 | 125.0° | 89.8° |
| C12 | C10 | C09 | H15 | 179.5° | 179.7° |
| O13 | C12 | C10 | C09 | 179.3° | 179.7° |
| O13 | C12 | C10 | BR2 | 0.5° | 0.1° |
| C12 | O13 | C14 | O23 | 20.6° | 0.2° |
| C12 | O13 | C14 | C15 | 160.4° | 180.0° |
| C17 | C16 | C15 | H1 | 180.0° | 179.7° |
| C16 | C17 | C18 | H2 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 179.0° | 179.9° |
| C17 | C16 | C15 | C20 | 2.2° | 0.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C16 | C17 | C18 | H16 | 179.6° | 180.0° |
| C15 | C16 | C17 | C18 | 1.0° | 0.0° |
| C16 | C15 | C14 | O13 | 79.7° | 0.0° |
| C16 | C15 | C14 | O23 | 101.4° | 179.8° |
| C16 | C15 | C14 | C20 | 176.6° | 179.9° |
| C16 | C15 | C20 | C19 | 2.8° | 0.0° |
| C16 | C15 | C20 | O21 | 179.2° | 180.0° |
| C15 | C16 | C17 | H2 | 179.0° | 180.0° |
| C17 | C18 | C19 | H16 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 1.1° | 0.0° |
| C18 | C17 | C16 | H1 | 179.0° | 179.7° |
| C17 | C18 | C19 | H3 | 178.9° | 180.0° |
| BR2 | C10 | C09 | H15 | 0.7° | 0.1° |
| O13 | C14 | O23 | C15 | 179.0° | 179.8° |
| O13 | C14 | C15 | C20 | 96.9° | 180.0° |
| O23 | C14 | C15 | C20 | 82.0° | 0.2° |
| C14 | C15 | C20 | C19 | 179.6° | 179.9° |
| C14 | C15 | C20 | O21 | 2.4° | 0.1° |
| C14 | C15 | C16 | H1 | 1.0° | 0.2° |
| C15 | C20 | C19 | C18 | 2.4° | 0.0° |
| C15 | C20 | C19 | O21 | 177.9° | 180.0° |
| C15 | C20 | O21 | C22 | 177.8° | 180.0° |
| C20 | C15 | C16 | H1 | 177.8° | 179.7° |
| C15 | C20 | C19 | H3 | 177.6° | 180.0° |
| C18 | C19 | C20 | H3 | 180.0° | 180.0° |
| C18 | C19 | C20 | O21 | 179.7° | 179.9° |
| C19 | C18 | C17 | H2 | 179.6° | 180.0° |
| C19 | C20 | O21 | C22 | 4.2° | 0.0° |
| C20 | C19 | C18 | H16 | 178.9° | 180.0° |
| O21 | C20 | C19 | H3 | 0.3° | 0.0° |
| C20 | O21 | C22 | H4 | 180.0° | 60.0° |
| C20 | O21 | C22 | H5 | 60.0° | 60.0° |
| C20 | O21 | C22 | H6 | 60.0° | 180.0° |
| O21 | C22 | H4 | H5 | 120.0° | 120.0° |
| O21 | C22 | H4 | H6 | 120.0° | 120.0° |
| O21 | C22 | H5 | H6 | 120.0° | 120.0° |
| H1 | C16 | C17 | H2 | 1.0° | 0.3° |
| H2 | C17 | C18 | H16 | 0.4° | 0.0° |
| H3 | C19 | C18 | H16 | 1.1° | 0.0° |
| H4 | C22 | H5 | H6 | 120.0° | 120.0° |
| H7 | C29 | C30 | H8 | 0.9° | 0.4° |
| H8 | C30 | C31 | H9 | 1.1° | 0.1° |
| H9 | C31 | C32 | H10 | 0.7° | 0.1° |
| H11 | N03 | C04 | H12 | 24.4° | 120.0° |
| H11 | N03 | C04 | H13 | 143.3° | 119.9° |
