EZC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C20 | C24 | sing | 1.53Å | 1.54Å | |
C20 | C18 | sing | 1.53Å | 1.61Å | |
C18 | C12 | sing | 1.53Å | 1.59Å | |
C12 | C07 | sing | 1.53Å | 1.54Å | |
C14 | C13 | sing | 1.54Å | 1.37Å | |
C14 | C10 | sing | 1.54Å | 1.67Å | |
C13 | C09 | sing | 1.54Å | 1.58Å | |
C10 | C08 | sing | 1.55Å | 1.35Å | |
C09 | C08 | sing | 1.55Å | 1.61Å | |
C07 | C08 | sing | 1.53Å | 1.58Å | |
C07 | C11 | sing | 1.53Å | 1.33Å | |
C07 | C15 | sing | 1.51Å | 1.64Å | |
O03 | C15 | doub | 1.21Å | 1.18Å | |
C11 | C16 | sing | 1.51Å | 1.63Å | |
C15 | C17 | sing | 1.47Å | 1.41Å | |
C17 | C16 | doub | 1.40Å | 1.44Å | Aromatic |
C17 | C21 | sing | 1.41Å | 1.56Å | Aromatic |
C16 | C19 | sing | 1.38Å | 1.55Å | Aromatic |
CL1 | C21 | sing | 1.74Å | 1.77Å | |
C21 | C23 | doub | 1.38Å | 1.52Å | Aromatic |
C19 | C22 | doub | 1.39Å | 1.53Å | Aromatic |
C23 | C22 | sing | 1.39Å | 1.50Å | Aromatic |
C23 | CL2 | sing | 1.74Å | 1.80Å | |
C22 | O04 | sing | 1.36Å | 1.43Å | |
C25 | O04 | sing | 1.43Å | 1.43Å | |
C25 | C26 | sing | 1.51Å | 1.52Å | |
C26 | O05 | doub | 1.21Å | 1.26Å | |
C26 | O06 | sing | 1.34Å | 1.25Å | |
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 | 1.09Å | 1.10Å | |
C20 | H6 | sing | 1.09Å | 1.10Å | |
C24 | H7 | sing | 1.09Å | 1.10Å | |
C24 | H8 | sing | 1.09Å | 1.10Å | |
C24 | H9 | sing | 1.09Å | 1.10Å | |
C08 | H10 | sing | 1.09Å | 1.10Å | |
C09 | H11 | sing | 1.09Å | 1.10Å | |
C09 | H12 | sing | 1.09Å | 1.10Å | |
C11 | H13 | sing | 1.09Å | 1.10Å | |
C11 | H14 | sing | 1.09Å | 1.10Å | |
C12 | H15 | sing | 1.09Å | 1.10Å | |
C12 | H16 | sing | 1.09Å | 1.10Å | |
C14 | H17 | sing | 1.09Å | 1.10Å | |
C14 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H19 | sing | 1.09Å | 1.10Å | |
C18 | H20 | sing | 1.09Å | 1.10Å | |
C19 | H21 | sing | 1.08Å | 1.08Å | |
C25 | H22 | sing | 1.09Å | 1.10Å | |
C25 | H23 | sing | 1.09Å | 1.10Å | |
O06 | H24 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C24 | C20 | C18 | 108.2° | 109.5° |
C24 | C20 | H5 | 109.8° | 109.4° |
C24 | C20 | H6 | 109.8° | 109.5° |
C20 | C24 | H7 | 109.5° | 109.5° |
C20 | C24 | H8 | 109.5° | 109.4° |
C20 | C24 | H9 | 109.5° | 109.4° |
C20 | C18 | C12 | 111.2° | 109.5° |
C18 | C20 | H5 | 109.8° | 109.5° |
C18 | C20 | H6 | 109.8° | 109.5° |
C20 | C18 | H19 | 109.1° | 109.5° |
C20 | C18 | H20 | 109.0° | 109.5° |
C18 | C12 | C07 | 109.1° | 109.5° |
C18 | C12 | H15 | 109.6° | 109.5° |
C18 | C12 | H16 | 109.6° | 109.5° |
C12 | C18 | H19 | 109.0° | 109.5° |
C12 | C18 | H20 | 109.1° | 109.5° |
C12 | C07 | C08 | 113.4° | 110.3° |
C12 | C07 | C11 | 109.6° | 110.2° |
C12 | C07 | C15 | 109.3° | 110.3° |
C07 | C12 | H15 | 109.5° | 109.4° |
C07 | C12 | H16 | 109.5° | 109.4° |
C13 | C14 | C10 | 107.8° | 106.6° |
C14 | C13 | C09 | 105.0° | 106.6° |
C14 | C13 | H3 | 110.6° | 110.0° |
C14 | C13 | H4 | 110.6° | 110.1° |
C13 | C14 | H17 | 109.9° | 110.0° |
C13 | C14 | H18 | 109.9° | 110.0° |
C14 | C10 | C08 | 105.9° | 104.2° |
C14 | C10 | H1 | 110.4° | 110.4° |
C14 | C10 | H2 | 110.4° | 110.6° |
C10 | C14 | H17 | 109.9° | 110.1° |
C10 | C14 | H18 | 109.9° | 110.0° |
C13 | C09 | C08 | 101.7° | 104.2° |
C09 | C13 | H3 | 110.6° | 110.0° |
C09 | C13 | H4 | 110.6° | 110.1° |
C13 | C09 | H11 | 111.4° | 110.4° |
C13 | C09 | H12 | 111.4° | 110.5° |
C10 | C08 | C09 | 103.7° | 102.8° |
C10 | C08 | C07 | 112.5° | 110.7° |
C08 | C10 | H1 | 110.4° | 110.5° |
C08 | C10 | H2 | 110.4° | 110.5° |
C10 | C08 | H10 | 111.9° | 110.7° |
C09 | C08 | C07 | 111.9° | 110.8° |
C09 | C08 | H10 | 108.2° | 111.0° |
C08 | C09 | H11 | 111.4° | 110.5° |
C08 | C09 | H12 | 111.4° | 110.5° |
C08 | C07 | C11 | 108.3° | 110.3° |
C08 | C07 | C15 | 109.6° | 110.3° |
C07 | C08 | H10 | 108.5° | 110.6° |
C11 | C07 | C15 | 106.3° | 105.3° |
C07 | C11 | C16 | 106.1° | 106.3° |
C07 | C11 | H13 | 110.3° | 110.1° |
C07 | C11 | H14 | 110.3° | 110.0° |
C07 | C15 | O03 | 126.8° | 125.9° |
C07 | C15 | C17 | 107.6° | 108.2° |
O03 | C15 | C17 | 125.5° | 125.9° |
C11 | C16 | C17 | 108.4° | 109.5° |
C11 | C16 | C19 | 131.2° | 130.4° |
C16 | C11 | H13 | 110.3° | 110.1° |
C16 | C11 | H14 | 110.3° | 110.1° |
C15 | C17 | C16 | 107.6° | 110.7° |
C15 | C17 | C21 | 131.7° | 129.9° |
C16 | C17 | C21 | 120.7° | 119.4° |
C17 | C16 | C19 | 120.4° | 120.0° |
C17 | C21 | CL1 | 120.0° | 120.0° |
C17 | C21 | C23 | 119.8° | 120.1° |
C16 | C19 | C22 | 119.8° | 120.3° |
C16 | C19 | H21 | 120.1° | 119.9° |
CL1 | C21 | C23 | 120.3° | 119.9° |
C21 | C23 | C22 | 119.6° | 120.1° |
C21 | C23 | CL2 | 119.9° | 120.0° |
C19 | C22 | C23 | 119.8° | 120.1° |
C19 | C22 | O04 | 119.7° | 119.9° |
C22 | C19 | H21 | 120.1° | 119.8° |
C22 | C23 | CL2 | 120.5° | 119.9° |
C23 | C22 | O04 | 120.6° | 120.0° |
C22 | O04 | C25 | 113.1° | 117.1° |
O04 | C25 | C26 | 109.5° | 109.5° |
O04 | C25 | H22 | 109.5° | 109.5° |
O04 | C25 | H23 | 109.4° | 109.5° |
C25 | C26 | O05 | 119.7° | 120.0° |
C25 | C26 | O06 | 120.0° | 120.0° |
C26 | C25 | H22 | 109.5° | 109.4° |
C26 | C25 | H23 | 109.5° | 109.5° |
O05 | C26 | O06 | 120.3° | 120.0° |
C26 | O06 | H24 | 109.5° | 117.0° |
H1 | C10 | H2 | 109.4° | 110.5° |
H3 | C13 | H4 | 109.5° | 110.0° |
H5 | C20 | H6 | 109.5° | 109.5° |
H7 | C24 | H8 | 109.5° | 109.5° |
H7 | C24 | H9 | 109.5° | 109.5° |
H8 | C24 | H9 | 109.4° | 109.5° |
H11 | C09 | H12 | 109.5° | 110.6° |
H13 | C11 | H14 | 109.5° | 110.1° |
H15 | C12 | H16 | 109.5° | 109.5° |
H17 | C14 | H18 | 109.5° | 110.1° |
H19 | C18 | H20 | 109.5° | 109.5° |
H22 | C25 | H23 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C24 | C20 | C18 | H5 | 119.8° | 120.0° |
C24 | C20 | C18 | H6 | 119.8° | 120.0° |
C24 | C20 | C18 | C12 | 174.1° | 180.0° |
C24 | C20 | H5 | H6 | 120.5° | 120.0° |
C20 | C24 | H7 | H8 | 120.0° | 120.0° |
C20 | C24 | H7 | H9 | 120.0° | 120.0° |
C20 | C24 | H8 | H9 | 120.0° | 119.9° |
C24 | C20 | C18 | H19 | 53.9° | 60.0° |
C24 | C20 | C18 | H20 | 65.6° | 60.0° |
C20 | C18 | C12 | H19 | 120.3° | 120.0° |
C20 | C18 | C12 | H20 | 120.2° | 120.0° |
C20 | C18 | C12 | C07 | 170.7° | 180.0° |
C18 | C20 | H5 | H6 | 120.6° | 120.0° |
C18 | C20 | C24 | H7 | 180.0° | 180.0° |
C18 | C20 | C24 | H8 | 60.0° | 60.0° |
C18 | C20 | C24 | H9 | 60.0° | 60.0° |
C20 | C18 | C12 | H15 | 69.4° | 60.0° |
C20 | C18 | C12 | H16 | 50.7° | 60.0° |
C20 | C18 | H19 | H20 | 119.2° | 120.0° |
C18 | C12 | C07 | H15 | 119.9° | 120.0° |
C18 | C12 | C07 | H16 | 120.0° | 120.0° |
C18 | C12 | C07 | C08 | 178.0° | 180.0° |
C18 | C12 | C07 | C11 | 60.8° | 58.0° |
C18 | C12 | C07 | C15 | 55.3° | 58.0° |
C12 | C18 | C20 | H5 | 66.1° | 60.0° |
C12 | C18 | C20 | H6 | 54.4° | 60.0° |
C18 | C12 | H15 | H16 | 120.2° | 120.1° |
C12 | C18 | H19 | H20 | 119.2° | 120.0° |
C12 | C07 | C08 | C10 | 55.4° | 178.7° |
C12 | C07 | C08 | C09 | 60.9° | 65.4° |
C12 | C07 | C08 | C11 | 121.9° | 122.0° |
C12 | C07 | C08 | C15 | 122.5° | 122.1° |
C12 | C07 | C11 | C15 | 118.0° | 119.0° |
C12 | C07 | C15 | O03 | 42.2° | 60.7° |
C12 | C07 | C11 | C16 | 137.0° | 119.0° |
C12 | C07 | C15 | C17 | 138.5° | 119.0° |
C12 | C07 | C08 | H10 | 179.7° | 58.1° |
C12 | C07 | C11 | H13 | 17.5° | 0.2° |
C12 | C07 | C11 | H14 | 103.5° | 121.8° |
C07 | C12 | H15 | H16 | 120.1° | 119.9° |
C07 | C12 | C18 | H19 | 50.4° | 60.0° |
C07 | C12 | C18 | H20 | 69.1° | 60.0° |
C13 | C14 | C10 | H17 | 119.7° | 119.3° |
C13 | C14 | C10 | H18 | 119.7° | 119.3° |
C14 | C13 | C09 | H3 | 119.3° | 119.2° |
C14 | C13 | C09 | H4 | 119.3° | 119.4° |
C13 | C14 | C10 | C08 | 11.2° | 23.6° |
C14 | C13 | C09 | C08 | 32.8° | 23.6° |
C13 | C14 | C10 | H1 | 130.6° | 95.1° |
C13 | C14 | C10 | H2 | 108.3° | 142.4° |
C14 | C13 | H3 | H4 | 122.1° | 121.5° |
C14 | C13 | C09 | H11 | 85.9° | 95.1° |
C14 | C13 | C09 | H12 | 151.5° | 142.3° |
C13 | C14 | H17 | H18 | 120.8° | 121.4° |
C10 | C14 | C13 | C09 | 15.1° | 0.0° |
C14 | C10 | C08 | H1 | 119.4° | 118.6° |
C14 | C10 | C08 | H2 | 119.5° | 118.8° |
C14 | C10 | C08 | C09 | 31.2° | 37.9° |
C14 | C10 | C08 | C07 | 152.3° | 156.3° |
C14 | C10 | H1 | H2 | 121.7° | 122.7° |
C10 | C14 | C13 | H3 | 134.4° | 119.2° |
C10 | C14 | C13 | H4 | 104.2° | 119.3° |
C14 | C10 | C08 | H10 | 85.2° | 80.7° |
C10 | C14 | H17 | H18 | 120.7° | 121.4° |
C13 | C09 | C08 | C10 | 40.4° | 37.9° |
C13 | C09 | C08 | H11 | 118.8° | 118.6° |
C13 | C09 | C08 | H12 | 118.7° | 118.7° |
C13 | C09 | C08 | C07 | 161.9° | 156.2° |
C09 | C13 | H3 | H4 | 122.0° | 121.4° |
C13 | C09 | C08 | H10 | 78.5° | 80.5° |
C13 | C09 | H11 | H12 | 123.6° | 122.6° |
C09 | C13 | C14 | H17 | 134.9° | 119.4° |
C09 | C13 | C14 | H18 | 104.6° | 119.2° |
C10 | C08 | C09 | C07 | 121.5° | 118.3° |
C10 | C08 | C09 | H10 | 119.0° | 118.4° |
C10 | C08 | C07 | H10 | 124.4° | 123.2° |
C10 | C08 | C07 | C11 | 177.3° | 59.3° |
C10 | C08 | C07 | C15 | 67.1° | 56.7° |
C08 | C10 | H1 | H2 | 121.6° | 122.6° |
C10 | C08 | C09 | H11 | 78.3° | 80.7° |
C10 | C08 | C09 | H12 | 159.2° | 156.6° |
C08 | C10 | C14 | H17 | 108.6° | 142.9° |
C08 | C10 | C14 | H18 | 130.9° | 95.7° |
C09 | C08 | C07 | H10 | 119.4° | 123.5° |
C09 | C08 | C07 | C11 | 61.0° | 172.6° |
C09 | C08 | C07 | C15 | 176.6° | 56.7° |
C09 | C08 | C10 | H1 | 150.6° | 80.7° |
C09 | C08 | C10 | H2 | 88.3° | 156.8° |
C08 | C09 | C13 | H3 | 152.1° | 95.7° |
C08 | C09 | C13 | H4 | 86.5° | 142.9° |
C08 | C09 | H11 | H12 | 123.6° | 122.6° |
C08 | C07 | C11 | C15 | 117.7° | 119.0° |
C08 | C07 | C15 | O03 | 82.7° | 61.3° |
C08 | C07 | C11 | C16 | 98.8° | 119.0° |
C08 | C07 | C15 | C17 | 96.6° | 119.0° |
C07 | C08 | C10 | H1 | 88.3° | 37.7° |
C07 | C08 | C10 | H2 | 32.8° | 84.9° |
C07 | C08 | C09 | H11 | 43.2° | 37.6° |
C07 | C08 | C09 | H12 | 79.3° | 85.1° |
C08 | C07 | C11 | H13 | 141.8° | 121.8° |
C08 | C07 | C11 | H14 | 20.7° | 0.2° |
C08 | C07 | C12 | H15 | 62.1° | 60.0° |
C08 | C07 | C12 | H16 | 58.1° | 60.0° |
C11 | C07 | C15 | O03 | 160.4° | 179.7° |
C07 | C11 | C16 | H13 | 119.5° | 119.3° |
C07 | C11 | C16 | H14 | 119.4° | 119.1° |
C11 | C07 | C15 | C17 | 20.3° | 0.0° |
C07 | C11 | C16 | C17 | 13.6° | 0.0° |
C07 | C11 | C16 | C19 | 166.4° | 179.9° |
C11 | C07 | C08 | H10 | 58.4° | 63.9° |
C07 | C11 | H13 | H14 | 121.5° | 121.6° |
C11 | C07 | C12 | H15 | 59.1° | 178.0° |
C11 | C07 | C12 | H16 | 179.2° | 62.1° |
C07 | C15 | O03 | C17 | 179.2° | 179.7° |
C15 | C07 | C11 | C16 | 19.0° | 0.0° |
C07 | C15 | C17 | C16 | 10.9° | 0.0° |
C07 | C15 | C17 | C21 | 169.0° | 179.9° |
C15 | C07 | C08 | H10 | 57.3° | 179.8° |
C15 | C07 | C11 | H13 | 100.5° | 119.2° |
C15 | C07 | C11 | H14 | 138.4° | 119.2° |
C15 | C07 | C12 | H15 | 175.3° | 62.0° |
C15 | C07 | C12 | H16 | 64.6° | 178.0° |
O03 | C15 | C17 | C16 | 169.8° | 179.7° |
O03 | C15 | C17 | C21 | 10.3° | 0.2° |
C11 | C16 | C17 | C15 | 0.1° | 0.0° |
C11 | C16 | C17 | C19 | 180.0° | 180.0° |
C11 | C16 | C17 | C21 | 180.0° | 179.9° |
C11 | C16 | C19 | C22 | 180.0° | 180.0° |
C16 | C11 | H13 | H14 | 121.6° | 121.6° |
C11 | C16 | C19 | H21 | 0.0° | 0.0° |
C15 | C17 | C16 | C21 | 179.9° | 179.9° |
C15 | C17 | C16 | C19 | 179.9° | 180.0° |
C15 | C17 | C21 | CL1 | 0.2° | 0.1° |
C15 | C17 | C21 | C23 | 179.8° | 180.0° |
C16 | C17 | C21 | CL1 | 180.0° | 180.0° |
C16 | C17 | C21 | C23 | 0.1° | 0.1° |
C17 | C16 | C19 | C22 | 0.0° | 0.0° |
C17 | C16 | C11 | H13 | 105.9° | 119.2° |
C17 | C16 | C11 | H14 | 133.0° | 119.1° |
C17 | C16 | C19 | H21 | 180.0° | 180.0° |
C21 | C17 | C16 | C19 | 0.0° | 0.1° |
C17 | C21 | CL1 | C23 | 179.9° | 180.0° |
C17 | C21 | C23 | C22 | 0.1° | 0.1° |
C17 | C21 | C23 | CL2 | 180.0° | 180.0° |
C16 | C19 | C22 | H21 | 180.0° | 180.0° |
C16 | C19 | C22 | C23 | 0.1° | 0.1° |
C16 | C19 | C22 | O04 | 179.8° | 180.0° |
C19 | C16 | C11 | H13 | 74.1° | 60.8° |
C19 | C16 | C11 | H14 | 47.0° | 60.8° |
CL1 | C21 | C23 | C22 | 179.9° | 179.9° |
CL1 | C21 | C23 | CL2 | 0.1° | 0.1° |
C21 | C23 | C22 | C19 | 0.2° | 0.2° |
C21 | C23 | C22 | CL2 | 179.8° | 180.0° |
C21 | C23 | C22 | O04 | 179.8° | 180.0° |
C19 | C22 | C23 | O04 | 179.9° | 179.9° |
C19 | C22 | C23 | CL2 | 180.0° | 179.9° |
C19 | C22 | O04 | C25 | 26.0° | 0.0° |
C23 | C22 | O04 | C25 | 153.9° | 179.9° |
C23 | C22 | C19 | H21 | 179.9° | 179.9° |
CL2 | C23 | C22 | O04 | 0.1° | 0.0° |
C22 | O04 | C25 | C26 | 170.8° | 180.0° |
O04 | C22 | C19 | H21 | 0.2° | 0.1° |
C22 | O04 | C25 | H22 | 69.2° | 60.0° |
C22 | O04 | C25 | H23 | 50.8° | 60.0° |
O04 | C25 | C26 | H22 | 120.0° | 120.0° |
O04 | C25 | C26 | H23 | 120.0° | 120.1° |
O04 | C25 | C26 | O05 | 150.9° | 0.0° |
O04 | C25 | C26 | O06 | 29.1° | 180.0° |
O04 | C25 | H22 | H23 | 120.0° | 120.0° |
C25 | C26 | O05 | O06 | 180.0° | 180.0° |
C26 | C25 | H22 | H23 | 120.0° | 120.0° |
C25 | C26 | O06 | H24 | 180.0° | 180.0° |
O05 | C26 | C25 | H22 | 89.0° | 120.0° |
O05 | C26 | C25 | H23 | 31.0° | 120.0° |
O05 | C26 | O06 | H24 | 0.0° | 0.0° |
O06 | C26 | C25 | H22 | 91.0° | 60.0° |
O06 | C26 | C25 | H23 | 149.0° | 60.0° |
H1 | C10 | C08 | H10 | 34.2° | 160.8° |
H1 | C10 | C14 | H17 | 10.9° | 24.2° |
H1 | C10 | C14 | H18 | 109.6° | 145.7° |
H2 | C10 | C08 | H10 | 155.3° | 38.2° |
H2 | C10 | C14 | H17 | 132.0° | 98.3° |
H2 | C10 | C14 | H18 | 11.5° | 23.1° |
H3 | C13 | C09 | H11 | 33.3° | 145.7° |
H3 | C13 | C09 | H12 | 89.2° | 23.0° |
H3 | C13 | C14 | H17 | 105.8° | 121.4° |
H3 | C13 | C14 | H18 | 14.7° | 0.0° |
H4 | C13 | C09 | H11 | 154.7° | 24.3° |
H4 | C13 | C09 | H12 | 32.2° | 98.4° |
H4 | C13 | C14 | H17 | 15.6° | 0.0° |
H4 | C13 | C14 | H18 | 136.1° | 121.4° |
H5 | C20 | C24 | H7 | 60.2° | 60.0° |
H5 | C20 | C24 | H8 | 59.8° | 60.0° |
H5 | C20 | C24 | H9 | 179.8° | 180.0° |
H5 | C20 | C18 | H19 | 173.7° | 180.0° |
H5 | C20 | C18 | H20 | 54.2° | 60.0° |
H6 | C20 | C24 | H7 | 60.2° | 60.0° |
H6 | C20 | C24 | H8 | 179.8° | 180.0° |
H6 | C20 | C24 | H9 | 59.8° | 60.1° |
H6 | C20 | C18 | H19 | 65.9° | 60.0° |
H6 | C20 | C18 | H20 | 174.6° | 180.0° |
H7 | C24 | H8 | H9 | 120.0° | 120.1° |
H10 | C08 | C09 | H11 | 162.7° | 160.9° |
H10 | C08 | C09 | H12 | 40.2° | 38.2° |
H15 | C12 | C18 | H19 | 170.3° | 60.0° |
H15 | C12 | C18 | H20 | 50.8° | 180.0° |
H16 | C12 | C18 | H19 | 69.6° | 180.0° |
H16 | C12 | C18 | H20 | 171.0° | 60.0° |