FU6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C24 | C23 | trip | 1.17Å | 1.19Å | |
C23 | C22 | sing | 1.47Å | 1.49Å | |
C22 | N21 | sing | 1.47Å | 1.53Å | |
N21 | C19 | sing | 1.35Å | 1.42Å | |
O20 | C19 | doub | 1.22Å | 1.23Å | |
C19 | C06 | sing | 1.48Å | 1.57Å | |
C06 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
C06 | C05 | sing | 1.39Å | 1.42Å | Aromatic |
C07 | C08 | sing | 1.39Å | 1.42Å | Aromatic |
C05 | C04 | doub | 1.39Å | 1.43Å | Aromatic |
N11 | C10 | doub | 1.31Å | 1.37Å | Aromatic |
N11 | N12 | sing | 1.40Å | 1.34Å | Aromatic |
C08 | C10 | sing | 1.48Å | 1.51Å | |
C08 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
C04 | C09 | sing | 1.39Å | 1.44Å | Aromatic |
C04 | N03 | sing | 1.40Å | 1.44Å | |
C10 | C18 | sing | 1.47Å | 1.47Å | Aromatic |
N12 | C13 | sing | 1.37Å | 1.37Å | Aromatic |
N03 | C02 | sing | 1.35Å | 1.39Å | |
C18 | C13 | doub | 1.41Å | 1.47Å | Aromatic |
C18 | C17 | sing | 1.40Å | 1.45Å | Aromatic |
C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
C02 | C25 | sing | 1.47Å | 1.55Å | |
C02 | O01 | doub | 1.22Å | 1.26Å | |
C25 | C26 | doub | 1.33Å | 1.33Å | |
C14 | C15 | doub | 1.37Å | 1.36Å | Aromatic |
C17 | C16 | doub | 1.36Å | 1.39Å | Aromatic |
C15 | C16 | sing | 1.39Å | 1.45Å | Aromatic |
N03 | H1 | sing | 0.97Å | 1.00Å | |
C05 | H2 | sing | 1.08Å | 1.08Å | |
C07 | H3 | sing | 1.08Å | 1.08Å | |
C09 | H4 | sing | 1.08Å | 1.08Å | |
C14 | H6 | sing | 1.08Å | 1.08Å | |
C15 | H7 | sing | 1.08Å | 1.08Å | |
C16 | H8 | sing | 1.08Å | 1.08Å | |
C17 | H9 | sing | 1.08Å | 1.08Å | |
C22 | H10 | sing | 1.09Å | 1.10Å | |
C24 | H11 | sing | 1.05Å | 1.06Å | |
C25 | H12 | sing | 1.08Å | 1.08Å | |
C26 | H13 | sing | 1.08Å | 1.08Å | |
C26 | H14 | sing | 1.08Å | 1.08Å | |
N12 | H5 | sing | 0.97Å | 1.00Å | |
N21 | H15 | sing | 0.97Å | 1.00Å | |
C22 | H16 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C24 | C23 | C22 | 173.6° | 180.0° |
C23 | C24 | H11 | 180.0° | 179.9° |
C23 | C22 | N21 | 121.1° | 109.5° |
C23 | C22 | H10 | 106.5° | 109.5° |
C23 | C22 | H16 | 106.5° | 109.4° |
C22 | N21 | C19 | 127.6° | 120.0° |
N21 | C22 | H10 | 106.5° | 109.5° |
C22 | N21 | H15 | 116.2° | 120.0° |
N21 | C22 | H16 | 106.5° | 109.5° |
N21 | C19 | O20 | 117.9° | 120.0° |
N21 | C19 | C06 | 124.9° | 120.0° |
C19 | N21 | H15 | 116.2° | 120.0° |
O20 | C19 | C06 | 116.4° | 120.0° |
C19 | C06 | C07 | 120.9° | 120.0° |
C19 | C06 | C05 | 120.3° | 120.0° |
C07 | C06 | C05 | 118.5° | 120.0° |
C06 | C07 | C08 | 122.9° | 119.8° |
C06 | C07 | H3 | 118.5° | 120.1° |
C06 | C05 | C04 | 120.5° | 120.0° |
C06 | C05 | H2 | 119.8° | 120.0° |
C07 | C08 | C10 | 120.1° | 120.0° |
C07 | C08 | C09 | 118.2° | 119.9° |
C08 | C07 | H3 | 118.5° | 120.1° |
C05 | C04 | C09 | 119.0° | 120.1° |
C05 | C04 | N03 | 119.8° | 119.9° |
C04 | C05 | H2 | 119.7° | 119.9° |
C10 | N11 | N12 | 109.9° | 110.0° |
N11 | C10 | C08 | 123.4° | 126.3° |
N11 | C10 | C18 | 107.3° | 107.5° |
N11 | N12 | C13 | 112.0° | 109.3° |
N11 | N12 | H5 | 124.0° | 125.4° |
C10 | C08 | C09 | 121.6° | 120.1° |
C08 | C10 | C18 | 128.9° | 126.2° |
C08 | C09 | C04 | 120.9° | 120.1° |
C08 | C09 | H4 | 119.6° | 119.9° |
C09 | C04 | N03 | 121.2° | 120.0° |
C04 | C09 | H4 | 119.6° | 119.9° |
C04 | N03 | C02 | 131.3° | 120.0° |
C04 | N03 | H1 | 114.4° | 120.0° |
C10 | C18 | C13 | 104.9° | 106.3° |
C10 | C18 | C17 | 137.6° | 134.0° |
N12 | C13 | C18 | 105.9° | 106.9° |
N12 | C13 | C14 | 129.8° | 133.7° |
C13 | N12 | H5 | 124.0° | 125.3° |
N03 | C02 | C25 | 118.4° | 120.0° |
N03 | C02 | O01 | 121.9° | 120.0° |
C02 | N03 | H1 | 114.3° | 120.0° |
C13 | C18 | C17 | 117.5° | 119.7° |
C18 | C13 | C14 | 124.3° | 119.4° |
C18 | C17 | C16 | 117.3° | 119.7° |
C18 | C17 | H9 | 121.4° | 120.1° |
C13 | C14 | C15 | 115.9° | 119.8° |
C13 | C14 | H6 | 122.0° | 120.1° |
C25 | C02 | O01 | 119.3° | 120.0° |
C02 | C25 | C26 | 124.8° | 120.0° |
C02 | C25 | H12 | 117.6° | 119.9° |
C26 | C25 | H12 | 117.6° | 120.1° |
C25 | C26 | H13 | 120.0° | 119.9° |
C25 | C26 | H14 | 120.0° | 120.0° |
C14 | C15 | C16 | 122.8° | 120.8° |
C15 | C14 | H6 | 122.1° | 120.1° |
C14 | C15 | H7 | 118.6° | 119.6° |
C17 | C16 | C15 | 122.1° | 120.6° |
C17 | C16 | H8 | 118.9° | 119.7° |
C16 | C17 | H9 | 121.3° | 120.2° |
C16 | C15 | H7 | 118.6° | 119.6° |
C15 | C16 | H8 | 119.0° | 119.7° |
H10 | C22 | H16 | 109.5° | 109.5° |
H13 | C26 | H14 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C24 | C23 | C22 | N21 | 174.3° | 72.6° |
C24 | C23 | C22 | H10 | 64.0° | 167.4° |
C24 | C23 | C22 | H16 | 52.7° | 47.4° |
C23 | C22 | N21 | H10 | 121.7° | 120.0° |
C23 | C22 | N21 | H16 | 121.6° | 120.0° |
C23 | C22 | N21 | C19 | 1.5° | 180.0° |
C23 | C22 | H10 | H16 | 114.7° | 120.0° |
C22 | C23 | C24 | H11 | 49.9° | 157.5° |
C23 | C22 | N21 | H15 | 178.5° | 0.0° |
C22 | N21 | C19 | H15 | 180.0° | 180.0° |
C22 | N21 | C19 | O20 | 7.2° | 0.0° |
C22 | N21 | C19 | C06 | 176.3° | 180.0° |
N21 | C22 | H10 | H16 | 114.7° | 120.0° |
N21 | C19 | O20 | C06 | 170.1° | 179.9° |
N21 | C19 | C06 | C07 | 30.2° | 180.0° |
N21 | C19 | C06 | C05 | 156.3° | 0.1° |
C19 | N21 | C22 | H10 | 120.2° | 60.0° |
C19 | N21 | C22 | H16 | 123.1° | 60.0° |
O20 | C19 | C06 | C07 | 139.1° | 0.1° |
O20 | C19 | C06 | C05 | 34.4° | 180.0° |
O20 | C19 | N21 | H15 | 172.8° | 180.0° |
C19 | C06 | C07 | C05 | 173.6° | 179.9° |
C19 | C06 | C07 | C08 | 175.3° | 179.9° |
C19 | C06 | C05 | C04 | 174.3° | 179.9° |
C19 | C06 | C05 | H2 | 5.7° | 0.1° |
C19 | C06 | C07 | H3 | 4.8° | 0.0° |
C06 | C19 | N21 | H15 | 3.7° | 0.0° |
C06 | C07 | C08 | H3 | 180.0° | 179.9° |
C07 | C06 | C05 | C04 | 0.7° | 0.0° |
C06 | C07 | C08 | C10 | 177.5° | 180.0° |
C06 | C07 | C08 | C09 | 1.9° | 0.1° |
C07 | C06 | C05 | H2 | 179.3° | 180.0° |
C05 | C06 | C07 | C08 | 1.6° | 0.0° |
C06 | C05 | C04 | H2 | 180.0° | 180.0° |
C06 | C05 | C04 | C09 | 0.1° | 0.0° |
C06 | C05 | C04 | N03 | 179.5° | 179.7° |
C05 | C06 | C07 | H3 | 178.4° | 179.9° |
C07 | C08 | C10 | N11 | 18.9° | 34.8° |
C07 | C08 | C10 | C09 | 175.4° | 179.9° |
C07 | C08 | C09 | C04 | 1.2° | 0.1° |
C07 | C08 | C10 | C18 | 152.4° | 145.0° |
C07 | C08 | C09 | H4 | 178.8° | 179.7° |
C05 | C04 | C09 | C08 | 0.4° | 0.0° |
C05 | C04 | C09 | N03 | 179.4° | 179.7° |
C05 | C04 | N03 | C02 | 176.9° | 146.8° |
C05 | C04 | N03 | H1 | 3.1° | 33.2° |
C05 | C04 | C09 | H4 | 179.7° | 179.8° |
N11 | C10 | C08 | C18 | 171.3° | 179.8° |
N11 | C10 | C08 | C09 | 165.7° | 145.3° |
C10 | N11 | N12 | C13 | 2.5° | 0.0° |
N11 | C10 | C18 | C13 | 3.4° | 0.3° |
N11 | C10 | C18 | C17 | 179.6° | 179.5° |
C10 | N11 | N12 | H5 | 177.5° | 180.0° |
N12 | N11 | C10 | C08 | 176.6° | 180.0° |
N12 | N11 | C10 | C18 | 3.7° | 0.2° |
N11 | N12 | C13 | H5 | 180.0° | 180.0° |
N11 | N12 | C13 | C18 | 0.2° | 0.2° |
N11 | N12 | C13 | C14 | 179.7° | 180.0° |
C10 | C08 | C09 | C04 | 176.7° | 180.0° |
C08 | C10 | C18 | C13 | 175.8° | 179.9° |
C08 | C10 | C18 | C17 | 7.2° | 0.7° |
C10 | C08 | C07 | H3 | 2.6° | 0.1° |
C10 | C08 | C09 | H4 | 3.3° | 0.2° |
C08 | C09 | C04 | H4 | 180.0° | 179.8° |
C08 | C09 | C04 | N03 | 179.8° | 179.8° |
C09 | C08 | C10 | C18 | 23.0° | 34.9° |
C09 | C08 | C07 | H3 | 178.1° | 180.0° |
C09 | C04 | N03 | C02 | 2.5° | 33.4° |
C09 | C04 | N03 | H1 | 177.5° | 146.6° |
C09 | C04 | C05 | H2 | 180.0° | 180.0° |
C04 | N03 | C02 | H1 | 180.0° | 180.0° |
C04 | N03 | C02 | C25 | 179.7° | 174.8° |
C04 | N03 | C02 | O01 | 7.2° | 5.4° |
N03 | C04 | C05 | H2 | 0.6° | 0.2° |
N03 | C04 | C09 | H4 | 0.3° | 0.0° |
C10 | C18 | C13 | N12 | 2.0° | 0.3° |
C10 | C18 | C13 | C17 | 177.7° | 179.4° |
C10 | C18 | C13 | C14 | 178.1° | 179.8° |
C10 | C18 | C17 | C16 | 176.4° | 179.6° |
C10 | C18 | C17 | H9 | 3.6° | 0.6° |
N12 | C13 | C18 | C14 | 179.9° | 179.8° |
N12 | C13 | C18 | C17 | 179.7° | 179.7° |
N12 | C13 | C14 | C15 | 179.0° | 180.0° |
N12 | C13 | C14 | H6 | 1.0° | 0.0° |
N03 | C02 | C25 | O01 | 173.3° | 179.8° |
N03 | C02 | C25 | C26 | 141.4° | 179.7° |
N03 | C02 | C25 | H12 | 38.6° | 0.3° |
C18 | C13 | C14 | C15 | 1.1° | 0.2° |
C13 | C18 | C17 | C16 | 0.2° | 0.5° |
C18 | C13 | C14 | H6 | 178.9° | 179.8° |
C13 | C18 | C17 | H9 | 179.8° | 179.8° |
C18 | C13 | N12 | H5 | 179.8° | 179.8° |
C17 | C18 | C13 | C14 | 0.4° | 0.5° |
C18 | C17 | C16 | H9 | 180.0° | 179.7° |
C18 | C17 | C16 | C15 | 0.2° | 0.2° |
C18 | C17 | C16 | H8 | 179.8° | 179.8° |
C13 | C14 | C15 | H6 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 1.1° | 0.1° |
C13 | C14 | C15 | H7 | 178.8° | 180.0° |
C14 | C13 | N12 | H5 | 0.3° | 0.0° |
C02 | C25 | C26 | H12 | 180.0° | 180.0° |
C25 | C02 | N03 | H1 | 0.3° | 5.2° |
C02 | C25 | C26 | H13 | 180.0° | 180.0° |
C02 | C25 | C26 | H14 | 0.0° | 0.0° |
O01 | C02 | C25 | C26 | 31.9° | 0.0° |
O01 | C02 | N03 | H1 | 172.8° | 174.6° |
O01 | C02 | C25 | H12 | 148.1° | 180.0° |
C25 | C26 | H13 | H14 | 180.0° | 180.0° |
C14 | C15 | C16 | C17 | 0.6° | 0.1° |
C14 | C15 | C16 | H7 | 180.0° | 180.0° |
C14 | C15 | C16 | H8 | 179.4° | 180.0° |
C17 | C16 | C15 | H8 | 180.0° | 180.0° |
C17 | C16 | C15 | H7 | 179.4° | 180.0° |
C16 | C15 | C14 | H6 | 178.9° | 179.9° |
C15 | C16 | C17 | H9 | 179.8° | 179.9° |
H6 | C14 | C15 | H7 | 1.1° | 0.0° |
H7 | C15 | C16 | H8 | 0.6° | 0.0° |
H8 | C16 | C17 | H9 | 0.2° | 0.0° |
H10 | C22 | N21 | H15 | 59.8° | 120.0° |
H12 | C25 | C26 | H13 | 0.0° | 0.0° |
H12 | C25 | C26 | H14 | 180.0° | 180.0° |
H15 | N21 | C22 | H16 | 56.9° | 120.0° |