O6Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C24 | O23 | sing | 1.43Å | 1.39Å | |
C24 | C25 | sing | 1.53Å | 1.54Å | |
O23 | C22 | sing | 1.43Å | 1.40Å | |
C25 | N20 | sing | 1.47Å | 1.49Å | |
C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C17 | C14 | sing | 1.51Å | 1.50Å | |
C17 | C18 | sing | 1.51Å | 1.51Å | |
C16 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
N20 | C18 | sing | 1.35Å | 1.41Å | |
N20 | C21 | sing | 1.47Å | 1.51Å | |
C22 | C21 | sing | 1.53Å | 1.54Å | |
C11 | O10 | sing | 1.36Å | 1.38Å | |
C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
C18 | O19 | doub | 1.21Å | 1.23Å | |
C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
O10 | C04 | sing | 1.36Å | 1.38Å | |
C04 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
C04 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
C02 | C01 | sing | 1.51Å | 1.50Å | |
C02 | C07 | doub | 1.40Å | 1.41Å | Aromatic |
C06 | C07 | sing | 1.40Å | 1.40Å | Aromatic |
C07 | C08 | sing | 1.43Å | 1.43Å | |
C08 | N09 | trip | 1.14Å | 1.15Å | |
C12 | H1 | sing | 1.08Å | 1.08Å | |
C13 | H2 | sing | 1.08Å | 1.08Å | |
C15 | H3 | sing | 1.08Å | 1.08Å | |
C16 | H4 | sing | 1.08Å | 1.08Å | |
C17 | H5 | sing | 1.09Å | 1.10Å | |
C17 | H6 | sing | 1.09Å | 1.10Å | |
C21 | H7 | sing | 1.09Å | 1.10Å | |
C21 | H8 | sing | 1.09Å | 1.10Å | |
C22 | H9 | sing | 1.09Å | 1.10Å | |
C22 | H10 | sing | 1.09Å | 1.10Å | |
C24 | H11 | sing | 1.09Å | 1.10Å | |
C24 | H12 | sing | 1.09Å | 1.10Å | |
C25 | H13 | sing | 1.09Å | 1.10Å | |
C25 | H14 | sing | 1.09Å | 1.10Å | |
C01 | H15 | sing | 1.09Å | 1.10Å | |
C01 | H16 | sing | 1.09Å | 1.10Å | |
C01 | H17 | sing | 1.09Å | 1.10Å | |
C03 | H18 | sing | 1.08Å | 1.08Å | |
C05 | H19 | sing | 1.08Å | 1.08Å | |
C06 | H20 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O23 | C24 | C25 | 110.6° | 109.2° |
C24 | O23 | C22 | 110.8° | 114.1° |
O23 | C24 | H11 | 109.2° | 109.5° |
O23 | C24 | H12 | 109.2° | 109.5° |
C24 | C25 | N20 | 113.6° | 108.3° |
C25 | C24 | H11 | 109.2° | 109.5° |
C25 | C24 | H12 | 109.2° | 109.5° |
C24 | C25 | H13 | 108.4° | 109.7° |
C24 | C25 | H14 | 108.4° | 109.7° |
O23 | C22 | C21 | 109.9° | 109.2° |
O23 | C22 | H9 | 109.3° | 109.5° |
O23 | C22 | H10 | 109.4° | 109.5° |
C25 | N20 | C18 | 124.8° | 121.0° |
C25 | N20 | C21 | 112.3° | 118.0° |
N20 | C25 | H13 | 108.4° | 109.7° |
N20 | C25 | H14 | 108.4° | 109.7° |
C16 | C15 | C14 | 122.4° | 120.1° |
C15 | C16 | C11 | 120.9° | 119.9° |
C16 | C15 | H3 | 118.8° | 120.0° |
C15 | C16 | H4 | 119.5° | 120.1° |
C15 | C14 | C17 | 121.8° | 119.9° |
C15 | C14 | C13 | 115.6° | 120.1° |
C14 | C15 | H3 | 118.8° | 120.0° |
C14 | C17 | C18 | 122.1° | 109.4° |
C17 | C14 | C13 | 122.6° | 119.9° |
C14 | C17 | H5 | 106.2° | 109.5° |
C14 | C17 | H6 | 106.2° | 109.4° |
C17 | C18 | N20 | 121.1° | 120.0° |
C17 | C18 | O19 | 120.1° | 120.0° |
C18 | C17 | H5 | 106.3° | 109.5° |
C18 | C17 | H6 | 106.2° | 109.5° |
C16 | C11 | O10 | 120.7° | 120.0° |
C16 | C11 | C12 | 117.9° | 119.9° |
C11 | C16 | H4 | 119.5° | 120.0° |
C14 | C13 | C12 | 123.1° | 120.1° |
C14 | C13 | H2 | 118.4° | 120.0° |
C18 | N20 | C21 | 123.0° | 121.0° |
N20 | C18 | O19 | 118.9° | 120.0° |
N20 | C21 | C22 | 112.8° | 108.4° |
N20 | C21 | H7 | 108.6° | 109.7° |
N20 | C21 | H8 | 108.6° | 109.7° |
C22 | C21 | H7 | 108.6° | 109.7° |
C22 | C21 | H8 | 108.6° | 109.7° |
C21 | C22 | H9 | 109.4° | 109.5° |
C21 | C22 | H10 | 109.3° | 109.4° |
O10 | C11 | C12 | 121.4° | 120.1° |
C11 | O10 | C04 | 125.2° | 118.0° |
C11 | C12 | C13 | 120.1° | 120.0° |
C11 | C12 | H1 | 120.0° | 120.0° |
C13 | C12 | H1 | 120.0° | 120.0° |
C12 | C13 | H2 | 118.4° | 119.9° |
O10 | C04 | C03 | 119.4° | 119.9° |
O10 | C04 | C05 | 120.6° | 119.9° |
C03 | C04 | C05 | 120.0° | 120.2° |
C04 | C03 | C02 | 121.9° | 120.1° |
C04 | C03 | H18 | 119.1° | 119.9° |
C04 | C05 | C06 | 119.1° | 120.1° |
C04 | C05 | H19 | 120.4° | 120.0° |
C03 | C02 | C01 | 121.3° | 120.0° |
C03 | C02 | C07 | 117.5° | 119.9° |
C02 | C03 | H18 | 119.1° | 120.0° |
C05 | C06 | C07 | 120.2° | 119.9° |
C06 | C05 | H19 | 120.5° | 120.0° |
C05 | C06 | H20 | 119.9° | 120.1° |
C01 | C02 | C07 | 121.2° | 120.1° |
C02 | C01 | H15 | 109.5° | 109.5° |
C02 | C01 | H16 | 109.5° | 109.5° |
C02 | C01 | H17 | 109.5° | 109.5° |
C02 | C07 | C06 | 121.3° | 119.9° |
C02 | C07 | C08 | 118.7° | 120.1° |
C06 | C07 | C08 | 120.0° | 120.1° |
C07 | C06 | H20 | 119.9° | 120.1° |
C07 | C08 | N09 | 179.9° | 180.0° |
H5 | C17 | H6 | 109.5° | 109.5° |
H7 | C21 | H8 | 109.5° | 109.7° |
H9 | C22 | H10 | 109.5° | 109.5° |
H11 | C24 | H12 | 109.5° | 109.6° |
H13 | C25 | H14 | 109.5° | 109.7° |
H15 | C01 | H16 | 109.4° | 109.5° |
H15 | C01 | H17 | 109.5° | 109.5° |
H16 | C01 | H17 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O23 | C24 | C25 | H11 | 120.2° | 119.9° |
O23 | C24 | C25 | H12 | 120.1° | 120.0° |
O23 | C24 | C25 | N20 | 4.8° | 52.3° |
C24 | O23 | C22 | C21 | 68.6° | 62.6° |
C24 | O23 | C22 | H9 | 51.5° | 57.3° |
C24 | O23 | C22 | H10 | 171.3° | 177.5° |
O23 | C24 | H11 | H12 | 119.5° | 120.1° |
O23 | C24 | C25 | H13 | 115.8° | 172.0° |
O23 | C24 | C25 | H14 | 125.4° | 67.4° |
C25 | C24 | O23 | C22 | 62.4° | 62.6° |
C24 | C25 | N20 | H13 | 120.6° | 119.7° |
C24 | C25 | N20 | H14 | 120.6° | 119.7° |
C24 | C25 | N20 | C18 | 137.4° | 129.5° |
C24 | C25 | N20 | C21 | 42.6° | 50.6° |
C25 | C24 | H11 | H12 | 119.5° | 120.2° |
C24 | C25 | H13 | H14 | 118.1° | 120.6° |
O23 | C22 | C21 | N20 | 15.8° | 52.4° |
O23 | C22 | C21 | H9 | 120.1° | 120.0° |
O23 | C22 | C21 | H10 | 120.1° | 119.9° |
O23 | C22 | C21 | H7 | 104.7° | 67.4° |
O23 | C22 | C21 | H8 | 136.2° | 172.1° |
O23 | C22 | H9 | H10 | 119.8° | 120.2° |
C22 | O23 | C24 | H11 | 177.4° | 177.5° |
C22 | O23 | C24 | H12 | 57.7° | 57.4° |
C25 | N20 | C18 | C17 | 0.3° | 180.0° |
C25 | N20 | C18 | C21 | 180.0° | 180.0° |
C25 | N20 | C21 | C22 | 36.6° | 50.6° |
C25 | N20 | C18 | O19 | 179.4° | 0.0° |
C25 | N20 | C21 | H7 | 157.1° | 69.2° |
C25 | N20 | C21 | H8 | 83.8° | 170.3° |
N20 | C25 | C24 | H11 | 125.0° | 172.2° |
N20 | C25 | C24 | H12 | 115.3° | 67.6° |
N20 | C25 | H13 | H14 | 118.1° | 120.5° |
C16 | C15 | C14 | H3 | 180.0° | 179.5° |
C16 | C15 | C14 | C17 | 178.9° | 179.8° |
C15 | C16 | C11 | H4 | 180.0° | 179.5° |
C16 | C15 | C14 | C13 | 0.3° | 0.3° |
C15 | C16 | C11 | O10 | 178.9° | 179.8° |
C15 | C16 | C11 | C12 | 1.8° | 0.5° |
C15 | C14 | C17 | C13 | 178.5° | 179.9° |
C15 | C14 | C17 | C18 | 84.0° | 90.0° |
C14 | C15 | C16 | C11 | 0.7° | 0.5° |
C15 | C14 | C13 | C12 | 0.3° | 0.0° |
C15 | C14 | C13 | H2 | 179.7° | 180.0° |
C14 | C15 | C16 | H4 | 179.3° | 180.0° |
C15 | C14 | C17 | H5 | 154.3° | 30.0° |
C15 | C14 | C17 | H6 | 37.8° | 150.0° |
C14 | C17 | C18 | H5 | 121.8° | 120.0° |
C14 | C17 | C18 | H6 | 121.7° | 120.0° |
C14 | C17 | C18 | N20 | 175.1° | 180.0° |
C14 | C17 | C18 | O19 | 4.6° | 0.0° |
C17 | C14 | C13 | C12 | 178.9° | 179.9° |
C17 | C14 | C13 | H2 | 1.1° | 0.0° |
C17 | C14 | C15 | H3 | 1.1° | 0.3° |
C14 | C17 | H5 | H6 | 114.3° | 120.0° |
C18 | C17 | C14 | C13 | 97.5° | 90.0° |
C17 | C18 | N20 | O19 | 179.7° | 180.0° |
C17 | C18 | N20 | C21 | 179.7° | 0.0° |
C18 | C17 | H5 | H6 | 114.3° | 120.0° |
C16 | C11 | O10 | C12 | 177.0° | 179.7° |
C16 | C11 | C12 | C13 | 1.8° | 0.3° |
C16 | C11 | O10 | C04 | 119.6° | 0.1° |
C16 | C11 | C12 | H1 | 178.2° | 179.7° |
C11 | C16 | C15 | H3 | 179.3° | 179.9° |
C14 | C13 | C12 | C11 | 0.8° | 0.0° |
C14 | C13 | C12 | H2 | 180.0° | 180.0° |
C14 | C13 | C12 | H1 | 179.2° | 180.0° |
C13 | C14 | C15 | H3 | 179.7° | 179.8° |
C13 | C14 | C17 | H5 | 24.2° | 150.0° |
C13 | C14 | C17 | H6 | 140.7° | 30.0° |
C18 | N20 | C21 | C22 | 143.3° | 129.4° |
N20 | C18 | C17 | H5 | 53.4° | 60.0° |
N20 | C18 | C17 | H6 | 63.1° | 60.0° |
C18 | N20 | C21 | H7 | 22.8° | 110.8° |
C18 | N20 | C21 | H8 | 96.2° | 9.7° |
C18 | N20 | C25 | H13 | 16.7° | 9.8° |
C18 | N20 | C25 | H14 | 102.1° | 110.8° |
N20 | C21 | C22 | H7 | 120.5° | 119.8° |
N20 | C21 | C22 | H8 | 120.5° | 119.7° |
C21 | N20 | C18 | O19 | 0.6° | 180.0° |
N20 | C21 | H7 | H8 | 118.5° | 120.5° |
N20 | C21 | C22 | H9 | 104.3° | 67.6° |
N20 | C21 | C22 | H10 | 135.8° | 172.3° |
C21 | N20 | C25 | H13 | 163.2° | 170.2° |
C21 | N20 | C25 | H14 | 78.0° | 69.2° |
C22 | C21 | H7 | H8 | 118.5° | 120.5° |
C21 | C22 | H9 | H10 | 119.8° | 120.1° |
O10 | C11 | C12 | C13 | 178.8° | 180.0° |
C11 | O10 | C04 | C03 | 160.9° | 90.0° |
C11 | O10 | C04 | C05 | 20.1° | 89.9° |
O10 | C11 | C12 | H1 | 1.2° | 0.0° |
O10 | C11 | C16 | H4 | 1.2° | 0.3° |
C11 | C12 | C13 | H1 | 180.0° | 180.0° |
C12 | C11 | O10 | C04 | 63.5° | 179.6° |
C11 | C12 | C13 | H2 | 179.2° | 180.0° |
C12 | C11 | C16 | H4 | 178.2° | 180.0° |
O19 | C18 | C17 | H5 | 126.3° | 120.0° |
O19 | C18 | C17 | H6 | 117.2° | 120.0° |
O10 | C04 | C03 | C05 | 179.0° | 179.9° |
O10 | C04 | C03 | C02 | 179.2° | 180.0° |
O10 | C04 | C05 | C06 | 179.4° | 179.9° |
O10 | C04 | C03 | H18 | 0.8° | 0.0° |
O10 | C04 | C05 | H19 | 0.6° | 0.0° |
C04 | C03 | C02 | H18 | 180.0° | 180.0° |
C03 | C04 | C05 | C06 | 0.3° | 0.0° |
C04 | C03 | C02 | C01 | 179.8° | 180.0° |
C04 | C03 | C02 | C07 | 0.2° | 0.2° |
C03 | C04 | C05 | H19 | 179.6° | 180.0° |
C05 | C04 | C03 | C02 | 0.2° | 0.1° |
C04 | C05 | C06 | H19 | 180.0° | 180.0° |
C04 | C05 | C06 | C07 | 0.2° | 0.3° |
C05 | C04 | C03 | H18 | 179.8° | 180.0° |
C04 | C05 | C06 | H20 | 179.8° | 180.0° |
C03 | C02 | C01 | C07 | 179.6° | 179.7° |
C03 | C02 | C07 | C06 | 0.3° | 0.5° |
C03 | C02 | C07 | C08 | 179.7° | 179.7° |
C03 | C02 | C01 | H15 | 89.8° | 89.8° |
C03 | C02 | C01 | H16 | 150.2° | 30.2° |
C03 | C02 | C01 | H17 | 30.2° | 150.2° |
C05 | C06 | C07 | C02 | 0.2° | 0.6° |
C05 | C06 | C07 | H20 | 180.0° | 179.7° |
C05 | C06 | C07 | C08 | 179.9° | 179.6° |
C01 | C02 | C07 | C06 | 180.0° | 179.7° |
C01 | C02 | C07 | C08 | 0.1° | 0.1° |
C02 | C01 | H15 | H16 | 120.0° | 120.0° |
C02 | C01 | H15 | H17 | 120.0° | 120.0° |
C02 | C01 | H16 | H17 | 120.0° | 120.0° |
C01 | C02 | C03 | H18 | 0.2° | 0.0° |
C02 | C07 | C06 | C08 | 179.9° | 179.8° |
C02 | C07 | C08 | N09 | 120.5° | 140.5° |
C07 | C02 | C01 | H15 | 89.8° | 90.0° |
C07 | C02 | C01 | H16 | 30.2° | 150.0° |
C07 | C02 | C01 | H17 | 150.2° | 30.0° |
C07 | C02 | C03 | H18 | 179.9° | 179.7° |
C02 | C07 | C06 | H20 | 179.8° | 179.8° |
C06 | C07 | C08 | N09 | 59.6° | 39.3° |
C07 | C06 | C05 | H19 | 179.8° | 179.7° |
C08 | C07 | C06 | H20 | 0.1° | 0.0° |
H1 | C12 | C13 | H2 | 0.8° | 0.0° |
H3 | C15 | C16 | H4 | 0.7° | 0.5° |
H7 | C21 | C22 | H9 | 135.2° | 172.6° |
H7 | C21 | C22 | H10 | 15.4° | 52.5° |
H8 | C21 | C22 | H9 | 16.2° | 52.1° |
H8 | C21 | C22 | H10 | 103.7° | 68.0° |
H11 | C24 | C25 | H13 | 4.4° | 68.1° |
H11 | C24 | C25 | H14 | 114.4° | 52.5° |
H12 | C24 | C25 | H13 | 124.1° | 52.1° |
H12 | C24 | C25 | H14 | 5.3° | 172.7° |
H15 | C01 | H16 | H17 | 120.0° | 120.0° |
H19 | C05 | C06 | H20 | 0.2° | 0.1° |