FY5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O24 | S21 | doub | 1.42Å | 1.50Å | |
O23 | S21 | doub | 1.42Å | 1.49Å | |
O22 | S21 | sing | 1.52Å | 1.50Å | |
S21 | O20 | sing | 1.52Å | 1.64Å | |
C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
O20 | C18 | sing | 1.36Å | 1.39Å | |
C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
C04 | C03 | sing | 1.53Å | 1.56Å | |
C04 | C05 | sing | 1.51Å | 1.67Å | |
C03 | C02 | sing | 1.50Å | 1.52Å | |
C15 | C05 | sing | 1.51Å | 1.52Å | |
C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
C19 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
C05 | C06 | sing | 1.53Å | 1.49Å | |
C14 | C13 | sing | 1.51Å | 1.60Å | |
O11 | C10 | doub | 1.20Å | 1.18Å | |
C01 | C02 | sing | 1.53Å | 1.52Å | |
C02 | C10 | sing | 1.52Å | 1.33Å | |
C02 | C07 | sing | 1.54Å | 1.65Å | |
C06 | C07 | sing | 1.49Å | 1.57Å | |
C06 | C12 | sing | 1.53Å | 1.52Å | |
C10 | C09 | sing | 1.53Å | 1.55Å | |
C07 | C08 | sing | 1.53Å | 1.40Å | |
C13 | C12 | sing | 1.53Å | 1.57Å | |
C09 | C08 | sing | 1.56Å | 1.61Å | |
C13 | H1 | sing | 1.09Å | 1.10Å | |
C13 | H2 | sing | 1.09Å | 1.10Å | |
C17 | H3 | sing | 1.08Å | 1.08Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C03 | H7 | sing | 1.10Å | 1.10Å | |
C03 | H8 | sing | 1.10Å | 1.10Å | |
C04 | H9 | sing | 1.10Å | 1.10Å | |
C04 | H10 | sing | 1.10Å | 1.10Å | |
C05 | H11 | sing | 1.09Å | 1.10Å | |
C06 | H12 | sing | 1.11Å | 1.10Å | |
C07 | H13 | sing | 1.11Å | 1.10Å | |
C08 | H14 | sing | 1.09Å | 1.10Å | |
C08 | H15 | sing | 1.09Å | 1.10Å | |
C09 | H16 | sing | 1.09Å | 1.10Å | |
C09 | H17 | sing | 1.09Å | 1.10Å | |
C12 | H18 | sing | 1.09Å | 1.10Å | |
C12 | H19 | sing | 1.09Å | 1.10Å | |
C16 | H20 | sing | 1.08Å | 1.08Å | |
C19 | H21 | sing | 1.08Å | 1.08Å | |
O22 | H22 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O24 | S21 | O23 | 109.7° | 123.2° |
O24 | S21 | O22 | 111.6° | 106.4° |
O24 | S21 | O20 | 114.5° | 106.4° |
O23 | S21 | O22 | 97.6° | 106.4° |
O23 | S21 | O20 | 112.4° | 106.4° |
O22 | S21 | O20 | 109.8° | 107.2° |
S21 | O22 | H22 | 109.5° | 114.0° |
S21 | O20 | C18 | 119.9° | 114.0° |
C16 | C17 | C18 | 120.1° | 119.6° |
C17 | C16 | C15 | 118.8° | 120.4° |
C16 | C17 | H3 | 120.0° | 120.1° |
C17 | C16 | H20 | 120.6° | 119.4° |
C17 | C18 | O20 | 120.9° | 120.0° |
C17 | C18 | C19 | 120.4° | 119.8° |
C18 | C17 | H3 | 120.0° | 120.4° |
O20 | C18 | C19 | 118.7° | 120.2° |
C16 | C15 | C05 | 121.7° | 119.1° |
C16 | C15 | C14 | 121.7° | 120.4° |
C15 | C16 | H20 | 120.6° | 120.2° |
C18 | C19 | C14 | 119.6° | 120.7° |
C18 | C19 | H21 | 120.2° | 119.7° |
C03 | C04 | C05 | 115.0° | 113.1° |
C04 | C03 | C02 | 111.6° | 111.9° |
C04 | C03 | H7 | 108.9° | 109.6° |
C04 | C03 | H8 | 108.9° | 109.3° |
C03 | C04 | H9 | 108.1° | 108.9° |
C03 | C04 | H10 | 108.1° | 109.2° |
C04 | C05 | C15 | 109.3° | 112.9° |
C04 | C05 | C06 | 111.5° | 112.5° |
C05 | C04 | H9 | 108.1° | 109.3° |
C05 | C04 | H10 | 108.1° | 109.2° |
C04 | C05 | H11 | 105.8° | 109.5° |
C03 | C02 | C01 | 109.2° | 111.3° |
C03 | C02 | C10 | 113.1° | 115.5° |
C03 | C02 | C07 | 110.7° | 110.7° |
C02 | C03 | H7 | 108.9° | 109.5° |
C02 | C03 | H8 | 108.9° | 109.3° |
C05 | C15 | C14 | 116.6° | 120.5° |
C15 | C05 | C06 | 114.7° | 108.0° |
C15 | C05 | H11 | 107.4° | 104.3° |
C15 | C14 | C19 | 119.4° | 119.0° |
C15 | C14 | C13 | 121.3° | 123.7° |
C19 | C14 | C13 | 119.3° | 117.3° |
C14 | C19 | H21 | 120.2° | 119.6° |
C05 | C06 | C07 | 111.6° | 112.7° |
C05 | C06 | C12 | 112.8° | 107.6° |
C06 | C05 | H11 | 107.7° | 109.4° |
C05 | C06 | H12 | 108.3° | 106.8° |
C14 | C13 | C12 | 116.3° | 112.0° |
C14 | C13 | H1 | 107.7° | 108.9° |
C14 | C13 | H2 | 107.7° | 109.1° |
O11 | C10 | C02 | 126.3° | 127.2° |
O11 | C10 | C09 | 128.3° | 128.8° |
C01 | C02 | C10 | 113.1° | 106.0° |
C01 | C02 | C07 | 107.6° | 112.8° |
C02 | C01 | H4 | 109.5° | 109.4° |
C02 | C01 | H5 | 109.5° | 109.5° |
C02 | C01 | H6 | 109.5° | 109.5° |
C10 | C02 | C07 | 102.9° | 100.0° |
C02 | C10 | C09 | 105.5° | 104.0° |
C02 | C07 | C06 | 115.3° | 113.1° |
C02 | C07 | C08 | 101.2° | 101.2° |
C02 | C07 | H13 | 102.7° | 108.0° |
C07 | C06 | C12 | 108.4° | 115.5° |
C06 | C07 | C08 | 126.6° | 118.8° |
C07 | C06 | H12 | 107.4° | 107.5° |
C06 | C07 | H13 | 103.4° | 108.1° |
C06 | C12 | C13 | 114.0° | 107.1° |
C12 | C06 | H12 | 108.0° | 106.3° |
C06 | C12 | H18 | 108.3° | 110.0° |
C06 | C12 | H19 | 108.3° | 110.0° |
C10 | C09 | C08 | 104.7° | 106.6° |
C10 | C09 | H16 | 110.7° | 110.0° |
C10 | C09 | H17 | 110.7° | 110.1° |
C07 | C08 | C09 | 101.3° | 102.3° |
C08 | C07 | H13 | 105.1° | 107.0° |
C07 | C08 | H14 | 111.5° | 112.0° |
C07 | C08 | H15 | 111.5° | 110.4° |
C12 | C13 | H1 | 107.8° | 108.8° |
C12 | C13 | H2 | 107.7° | 109.1° |
C13 | C12 | H18 | 108.3° | 109.8° |
C13 | C12 | H19 | 108.3° | 109.6° |
C09 | C08 | H14 | 111.5° | 111.4° |
C09 | C08 | H15 | 111.4° | 110.2° |
C08 | C09 | H16 | 110.6° | 109.9° |
C08 | C09 | H17 | 110.7° | 110.1° |
H1 | C13 | H2 | 109.5° | 109.0° |
H4 | C01 | H5 | 109.4° | 109.4° |
H4 | C01 | H6 | 109.4° | 109.4° |
H5 | C01 | H6 | 109.5° | 109.5° |
H7 | C03 | H8 | 109.5° | 107.1° |
H9 | C04 | H10 | 109.5° | 107.0° |
H14 | C08 | H15 | 109.5° | 110.3° |
H16 | C09 | H17 | 109.4° | 110.1° |
H18 | C12 | H19 | 109.5° | 110.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O24 | S21 | O23 | O22 | 116.3° | 123.0° |
O24 | S21 | O23 | O20 | 128.5° | 122.9° |
O24 | S21 | O22 | O20 | 128.0° | 113.5° |
O24 | S21 | O20 | C18 | 30.1° | 38.5° |
O24 | S21 | O22 | H22 | 114.7° | 66.5° |
O23 | S21 | O22 | O20 | 117.2° | 113.5° |
O23 | S21 | O20 | C18 | 95.9° | 171.5° |
O23 | S21 | O22 | H22 | 0.0° | 66.4° |
O22 | S21 | O20 | C18 | 156.5° | 75.0° |
S21 | O20 | C18 | C17 | 2.1° | 90.0° |
S21 | O20 | C18 | C19 | 178.1° | 90.1° |
O20 | S21 | O22 | H22 | 117.2° | 180.0° |
C16 | C17 | C18 | H3 | 180.0° | 179.9° |
C16 | C17 | C18 | O20 | 179.9° | 180.0° |
C17 | C16 | C15 | H20 | 180.0° | 179.6° |
C16 | C17 | C18 | C19 | 0.3° | 0.2° |
C17 | C16 | C15 | C05 | 179.2° | 179.7° |
C17 | C16 | C15 | C14 | 0.6° | 0.3° |
C17 | C18 | O20 | C19 | 179.8° | 179.8° |
C18 | C17 | C16 | C15 | 0.6° | 0.1° |
C17 | C18 | C19 | C14 | 0.0° | 0.1° |
C18 | C17 | C16 | H20 | 179.4° | 179.8° |
C17 | C18 | C19 | H21 | 180.0° | 179.8° |
O20 | C18 | C19 | C14 | 179.9° | 179.7° |
O20 | C18 | C17 | H3 | 0.1° | 0.1° |
O20 | C18 | C19 | H21 | 0.2° | 0.4° |
C16 | C15 | C05 | C04 | 16.3° | 29.7° |
C16 | C15 | C05 | C14 | 178.7° | 179.4° |
C16 | C15 | C14 | C19 | 0.4° | 0.6° |
C16 | C15 | C05 | C06 | 142.3° | 154.6° |
C16 | C15 | C14 | C13 | 179.5° | 179.3° |
C15 | C16 | C17 | H3 | 179.4° | 179.8° |
C16 | C15 | C05 | H11 | 98.0° | 89.1° |
C18 | C19 | C14 | C15 | 0.1° | 0.5° |
C18 | C19 | C14 | H21 | 180.0° | 179.9° |
C18 | C19 | C14 | C13 | 179.8° | 179.4° |
C19 | C18 | C17 | H3 | 179.7° | 179.7° |
C03 | C04 | C05 | H9 | 120.8° | 121.5° |
C03 | C04 | C05 | H10 | 120.8° | 121.8° |
C04 | C03 | C02 | H7 | 120.3° | 121.7° |
C04 | C03 | C02 | H8 | 120.3° | 121.3° |
C03 | C04 | C05 | C15 | 174.1° | 176.2° |
C03 | C04 | C05 | C06 | 46.2° | 53.7° |
C04 | C03 | C02 | C01 | 64.1° | 77.4° |
C04 | C03 | C02 | C10 | 169.0° | 161.7° |
C04 | C03 | C02 | C07 | 54.1° | 49.0° |
C04 | C03 | H7 | H8 | 119.0° | 118.5° |
C03 | C04 | H9 | H10 | 117.5° | 117.9° |
C03 | C04 | C05 | H11 | 70.6° | 68.1° |
C05 | C04 | C03 | C02 | 10.6° | 5.3° |
C04 | C05 | C15 | C06 | 126.1° | 125.0° |
C04 | C05 | C15 | H11 | 114.3° | 118.7° |
C04 | C05 | C15 | C14 | 165.1° | 150.9° |
C04 | C05 | C06 | H11 | 115.7° | 121.9° |
C04 | C05 | C06 | C07 | 53.6° | 44.7° |
C04 | C05 | C06 | C12 | 176.0° | 173.2° |
C05 | C04 | C03 | H7 | 109.7° | 116.4° |
C05 | C04 | C03 | H8 | 131.0° | 126.6° |
C05 | C04 | H9 | H10 | 117.5° | 118.1° |
C04 | C05 | C06 | H12 | 64.5° | 73.1° |
C03 | C02 | C10 | O11 | 23.9° | 19.6° |
C03 | C02 | C01 | C10 | 126.9° | 126.3° |
C03 | C02 | C01 | C07 | 120.2° | 125.2° |
C03 | C02 | C10 | C07 | 119.5° | 118.8° |
C03 | C02 | C07 | C06 | 46.9° | 58.6° |
C03 | C02 | C10 | C09 | 156.5° | 160.2° |
C03 | C02 | C07 | C08 | 173.2° | 173.2° |
C03 | C02 | C01 | H4 | 180.0° | 74.7° |
C03 | C02 | C01 | H5 | 60.0° | 45.3° |
C03 | C02 | C01 | H6 | 60.0° | 165.4° |
C02 | C03 | H7 | H8 | 119.0° | 118.4° |
C02 | C03 | C04 | H9 | 110.2° | 127.0° |
C02 | C03 | C04 | H10 | 131.4° | 116.5° |
C03 | C02 | C07 | H13 | 64.8° | 61.0° |
C05 | C15 | C14 | C19 | 179.1° | 180.0° |
C15 | C05 | C06 | H11 | 119.5° | 112.9° |
C05 | C15 | C14 | C13 | 0.9° | 0.1° |
C15 | C05 | C06 | C07 | 178.5° | 169.9° |
C15 | C05 | C06 | C12 | 59.1° | 61.6° |
C15 | C05 | C04 | H9 | 65.1° | 62.3° |
C15 | C05 | C04 | H10 | 53.2° | 54.4° |
C15 | C05 | C06 | H12 | 60.4° | 52.1° |
C05 | C15 | C16 | H20 | 0.8° | 0.1° |
C15 | C14 | C19 | C13 | 179.9° | 179.9° |
C14 | C15 | C05 | C06 | 39.0° | 25.9° |
C15 | C14 | C13 | C12 | 16.7° | 9.2° |
C15 | C14 | C13 | H1 | 104.3° | 111.1° |
C15 | C14 | C13 | H2 | 137.7° | 130.1° |
C14 | C15 | C05 | H11 | 80.7° | 90.4° |
C14 | C15 | C16 | H20 | 179.4° | 179.4° |
C15 | C14 | C19 | H21 | 179.9° | 179.4° |
C19 | C14 | C13 | C12 | 163.4° | 170.7° |
C19 | C14 | C13 | H1 | 75.6° | 69.0° |
C19 | C14 | C13 | H2 | 42.4° | 49.8° |
C05 | C06 | C07 | C02 | 9.6° | 10.2° |
C05 | C06 | C07 | C12 | 124.8° | 124.2° |
C05 | C06 | C07 | H12 | 118.6° | 117.4° |
C05 | C06 | C12 | H12 | 119.7° | 114.1° |
C05 | C06 | C07 | C08 | 118.6° | 128.6° |
C05 | C06 | C12 | C13 | 39.1° | 72.2° |
C06 | C05 | C04 | H9 | 167.0° | 175.2° |
C06 | C05 | C04 | H10 | 74.6° | 68.0° |
C05 | C06 | C07 | H13 | 120.8° | 109.3° |
C05 | C06 | C12 | H18 | 159.8° | 47.0° |
C05 | C06 | C12 | H19 | 81.6° | 168.7° |
C14 | C13 | C12 | C06 | 3.4° | 43.8° |
C14 | C13 | C12 | H1 | 121.0° | 120.4° |
C14 | C13 | C12 | H2 | 121.0° | 120.9° |
C14 | C13 | H1 | H2 | 116.9° | 118.9° |
C14 | C13 | C12 | H18 | 124.0° | 75.6° |
C14 | C13 | C12 | H19 | 117.3° | 163.0° |
C13 | C14 | C19 | H21 | 0.1° | 0.7° |
O11 | C10 | C02 | C01 | 100.9° | 104.2° |
O11 | C10 | C02 | C09 | 179.6° | 179.8° |
O11 | C10 | C02 | C07 | 143.4° | 138.4° |
O11 | C10 | C09 | C08 | 166.3° | 162.9° |
O11 | C10 | C09 | H16 | 47.1° | 43.8° |
O11 | C10 | C09 | H17 | 74.4° | 77.8° |
C01 | C02 | C10 | C07 | 115.7° | 117.4° |
C01 | C02 | C07 | C06 | 72.3° | 66.9° |
C01 | C02 | C10 | C09 | 78.7° | 76.0° |
C01 | C02 | C07 | C08 | 67.6° | 61.3° |
C02 | C01 | H4 | H5 | 120.0° | 120.0° |
C02 | C01 | H4 | H6 | 120.0° | 120.0° |
C02 | C01 | H5 | H6 | 120.0° | 120.1° |
C01 | C02 | C03 | H7 | 175.6° | 44.3° |
C01 | C02 | C03 | H8 | 56.2° | 161.3° |
C01 | C02 | C07 | H13 | 176.1° | 173.5° |
C10 | C02 | C07 | C06 | 168.0° | 179.1° |
C10 | C02 | C07 | C08 | 52.0° | 50.9° |
C02 | C10 | C09 | C08 | 14.1° | 16.9° |
C10 | C02 | C01 | H4 | 53.1° | 51.7° |
C10 | C02 | C01 | H5 | 66.9° | 171.6° |
C10 | C02 | C01 | H6 | 173.1° | 68.3° |
C10 | C02 | C03 | H7 | 48.6° | 76.6° |
C10 | C02 | C03 | H8 | 70.7° | 40.4° |
C10 | C02 | C07 | H13 | 56.4° | 61.3° |
C02 | C10 | C09 | H16 | 133.4° | 136.0° |
C02 | C10 | C09 | H17 | 105.1° | 102.5° |
C02 | C07 | C06 | C08 | 128.2° | 118.4° |
C02 | C07 | C06 | H13 | 111.2° | 119.5° |
C02 | C07 | C06 | C12 | 134.4° | 114.0° |
C07 | C02 | C10 | C09 | 37.1° | 41.4° |
C02 | C07 | C08 | H13 | 106.6° | 113.0° |
C02 | C07 | C08 | C09 | 38.9° | 40.0° |
C07 | C02 | C01 | H4 | 59.8° | 160.2° |
C07 | C02 | C01 | H5 | 179.8° | 79.9° |
C07 | C02 | C01 | H6 | 60.2° | 40.2° |
C07 | C02 | C03 | H7 | 66.2° | 170.7° |
C07 | C02 | C03 | H8 | 174.4° | 72.3° |
C02 | C07 | C06 | H12 | 109.0° | 127.6° |
C02 | C07 | C08 | H14 | 79.8° | 79.5° |
C02 | C07 | C08 | H15 | 157.6° | 157.2° |
C07 | C06 | C12 | H12 | 116.1° | 119.1° |
C06 | C07 | C08 | H13 | 119.9° | 122.6° |
C07 | C06 | C12 | C13 | 163.2° | 161.0° |
C06 | C07 | C08 | C09 | 172.5° | 164.4° |
C07 | C06 | C05 | H11 | 62.1° | 77.1° |
C06 | C07 | C08 | H14 | 53.8° | 45.0° |
C06 | C07 | C08 | H15 | 68.9° | 78.3° |
C07 | C06 | C12 | H18 | 76.1° | 79.8° |
C07 | C06 | C12 | H19 | 42.6° | 41.9° |
C12 | C06 | C07 | C08 | 6.2° | 4.5° |
C06 | C12 | C13 | H18 | 120.7° | 119.4° |
C06 | C12 | C13 | H19 | 120.7° | 119.3° |
C06 | C12 | C13 | H1 | 124.4° | 76.6° |
C06 | C12 | C13 | H2 | 117.6° | 164.6° |
C12 | C06 | C05 | H11 | 60.3° | 51.3° |
C12 | C06 | C07 | H13 | 114.3° | 126.5° |
C06 | C12 | H18 | H19 | 117.9° | 121.5° |
C10 | C09 | C08 | C07 | 19.5° | 14.5° |
C10 | C09 | C08 | H16 | 119.3° | 119.1° |
C10 | C09 | C08 | H17 | 119.3° | 119.4° |
C10 | C09 | C08 | H14 | 99.2° | 105.3° |
C10 | C09 | C08 | H15 | 138.2° | 131.9° |
C10 | C09 | H16 | H17 | 122.2° | 121.6° |
C07 | C08 | C09 | H14 | 118.7° | 119.9° |
C07 | C08 | C09 | H15 | 118.7° | 117.4° |
C08 | C07 | C06 | H12 | 122.8° | 114.0° |
C07 | C08 | H14 | H15 | 123.8° | 123.4° |
C07 | C08 | C09 | H16 | 99.7° | 104.6° |
C07 | C08 | C09 | H17 | 138.8° | 134.0° |
C12 | C13 | H1 | H2 | 116.9° | 118.8° |
C13 | C12 | C06 | H12 | 80.6° | 41.9° |
C13 | C12 | H18 | H19 | 117.9° | 120.9° |
C09 | C08 | C07 | H13 | 67.6° | 73.0° |
C09 | C08 | H14 | H15 | 123.8° | 122.7° |
C08 | C09 | H16 | H17 | 122.2° | 121.4° |
H1 | C13 | C12 | H18 | 115.0° | 164.0° |
H1 | C13 | C12 | H19 | 3.7° | 42.6° |
H2 | C13 | C12 | H18 | 3.1° | 45.2° |
H2 | C13 | C12 | H19 | 121.7° | 76.1° |
H3 | C17 | C16 | H20 | 0.6° | 0.1° |
H4 | C01 | H5 | H6 | 120.0° | 119.9° |
H7 | C03 | C04 | H9 | 129.5° | 5.4° |
H7 | C03 | C04 | H10 | 11.1° | 121.9° |
H8 | C03 | C04 | H9 | 10.1° | 111.7° |
H8 | C03 | C04 | H10 | 108.2° | 4.8° |
H9 | C04 | C05 | H11 | 50.2° | 53.4° |
H10 | C04 | C05 | H11 | 168.6° | 170.1° |
H11 | C05 | C06 | H12 | 179.9° | 165.0° |
H12 | C06 | C07 | H13 | 2.2° | 8.1° |
H12 | C06 | C12 | H18 | 40.0° | 161.1° |
H12 | C06 | C12 | H19 | 158.7° | 77.2° |
H13 | C07 | C08 | H14 | 173.7° | 167.6° |
H13 | C07 | C08 | H15 | 51.0° | 44.3° |
H14 | C08 | C09 | H16 | 141.6° | 135.6° |
H14 | C08 | C09 | H17 | 20.1° | 14.1° |
H15 | C08 | C09 | H16 | 18.9° | 12.8° |
H15 | C08 | C09 | H17 | 102.6° | 108.7° |