QET
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O02 | S01 | doub | 1.42Å | 1.47Å | |
O01 | S01 | doub | 1.42Å | 1.47Å | |
S01 | C01 | sing | 1.81Å | 1.82Å | |
S01 | C02 | sing | 1.76Å | 1.79Å | |
C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
C02 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
C03 | C04 | sing | 1.38Å | 1.41Å | Aromatic |
C19 | C09 | doub | 1.40Å | 1.36Å | Aromatic |
C04 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
C09 | C05 | sing | 1.40Å | 1.38Å | Aromatic |
C09 | C10 | sing | 1.48Å | 1.54Å | |
C05 | O03 | sing | 1.36Å | 1.43Å | |
O04 | C10 | doub | 1.22Å | 1.18Å | |
C10 | N01 | sing | 1.35Å | 1.45Å | |
O03 | C06 | sing | 1.43Å | 1.43Å | |
C06 | C07 | sing | 1.53Å | 1.55Å | |
N01 | C11 | sing | 1.47Å | 1.33Å | |
N01 | C18 | sing | 1.47Å | 1.53Å | |
F04 | C08 | sing | 1.40Å | 1.36Å | |
C11 | C12 | sing | 1.51Å | 1.34Å | |
F05 | C08 | sing | 1.40Å | 1.37Å | |
C08 | C07 | sing | 1.53Å | 1.54Å | |
C08 | F03 | sing | 1.40Å | 1.36Å | |
C18 | C17 | sing | 1.51Å | 1.67Å | |
C07 | F02 | sing | 1.40Å | 1.36Å | |
C07 | F01 | sing | 1.40Å | 1.35Å | |
C12 | C17 | doub | 1.38Å | 1.48Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.58Å | Aromatic |
C17 | C16 | sing | 1.39Å | 1.57Å | Aromatic |
C13 | C14 | doub | 1.38Å | 1.35Å | Aromatic |
C16 | C15 | doub | 1.39Å | 1.29Å | Aromatic |
C14 | C15 | sing | 1.39Å | 1.28Å | Aromatic |
C14 | F06 | sing | 1.35Å | 1.35Å | |
C15 | O05 | sing | 1.36Å | 1.45Å | |
O05 | C22 | sing | 1.43Å | 1.39Å | |
C22 | C23 | sing | 1.53Å | 1.57Å | |
C22 | C21 | sing | 1.53Å | 1.54Å | |
C23 | C24 | sing | 1.53Å | 1.56Å | |
C21 | C20 | sing | 1.53Å | 1.55Å | |
C24 | O06 | sing | 1.43Å | 1.39Å | |
C20 | O06 | sing | 1.43Å | 1.40Å | |
C13 | H03 | sing | 1.08Å | 1.08Å | |
C20 | H19 | sing | 1.09Å | 1.10Å | |
C20 | H11 | sing | 1.09Å | 1.10Å | |
C21 | H20 | sing | 1.09Å | 1.10Å | |
C21 | H12 | sing | 1.09Å | 1.10Å | |
C22 | H06 | sing | 1.09Å | 1.10Å | |
C24 | H14 | sing | 1.09Å | 1.10Å | |
C24 | H22 | sing | 1.09Å | 1.10Å | |
C01 | H23 | sing | 1.09Å | 1.10Å | |
C01 | H07 | sing | 1.09Å | 1.10Å | |
C01 | H15 | sing | 1.09Å | 1.10Å | |
C03 | H01 | sing | 1.08Å | 1.08Å | |
C04 | H02 | sing | 1.08Å | 1.08Å | |
C06 | H16 | sing | 1.09Å | 1.10Å | |
C06 | H08 | sing | 1.09Å | 1.10Å | |
C11 | H09 | sing | 1.09Å | 1.10Å | |
C11 | H17 | sing | 1.09Å | 1.10Å | |
C16 | H04 | sing | 1.08Å | 1.08Å | |
C18 | H10 | sing | 1.09Å | 1.10Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C19 | H05 | sing | 1.08Å | 1.08Å | |
C23 | H21 | sing | 1.09Å | 1.10Å | |
C23 | H13 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O02 | S01 | O01 | 110.9° | 121.1° |
O02 | S01 | C01 | 111.7° | 110.5° |
O02 | S01 | C02 | 110.0° | 104.3° |
O01 | S01 | C01 | 109.5° | 110.5° |
O01 | S01 | C02 | 108.8° | 104.3° |
C01 | S01 | C02 | 105.7° | 104.5° |
S01 | C01 | H23 | 109.5° | 109.4° |
S01 | C01 | H07 | 109.5° | 109.5° |
S01 | C01 | H15 | 109.4° | 109.4° |
S01 | C02 | C03 | 122.8° | 119.9° |
S01 | C02 | C19 | 113.6° | 119.8° |
C03 | C02 | C19 | 123.6° | 120.3° |
C02 | C03 | C04 | 118.8° | 120.4° |
C02 | C03 | H01 | 120.6° | 119.8° |
C02 | C19 | C09 | 116.0° | 119.9° |
C02 | C19 | H05 | 122.0° | 120.1° |
C03 | C04 | C05 | 117.8° | 120.1° |
C04 | C03 | H01 | 120.6° | 119.8° |
C03 | C04 | H02 | 121.1° | 120.0° |
C19 | C09 | C05 | 123.2° | 119.6° |
C19 | C09 | C10 | 119.9° | 120.2° |
C09 | C19 | H05 | 122.0° | 120.0° |
C04 | C05 | C09 | 120.7° | 119.7° |
C04 | C05 | O03 | 122.5° | 120.2° |
C05 | C04 | H02 | 121.1° | 119.9° |
C05 | C09 | C10 | 116.9° | 120.2° |
C09 | C05 | O03 | 116.5° | 120.1° |
C09 | C10 | O04 | 123.0° | 120.0° |
C09 | C10 | N01 | 114.9° | 120.0° |
C05 | O03 | C06 | 121.9° | 117.0° |
O04 | C10 | N01 | 121.9° | 120.0° |
C10 | N01 | C11 | 131.6° | 126.5° |
C10 | N01 | C18 | 116.2° | 126.5° |
O03 | C06 | C07 | 104.8° | 109.5° |
O03 | C06 | H16 | 110.6° | 109.5° |
O03 | C06 | H08 | 110.6° | 109.5° |
C06 | C07 | C08 | 112.7° | 109.5° |
C06 | C07 | F02 | 110.6° | 109.4° |
C06 | C07 | F01 | 108.4° | 109.5° |
C07 | C06 | H16 | 110.6° | 109.5° |
C07 | C06 | H08 | 110.6° | 109.5° |
C11 | N01 | C18 | 112.2° | 106.9° |
N01 | C11 | C12 | 118.8° | 107.7° |
N01 | C11 | H09 | 107.1° | 109.9° |
N01 | C11 | H17 | 107.1° | 109.8° |
N01 | C18 | C17 | 95.4° | 107.7° |
N01 | C18 | H10 | 112.9° | 109.8° |
N01 | C18 | H18 | 112.9° | 109.8° |
F04 | C08 | F05 | 108.7° | 109.5° |
F04 | C08 | C07 | 111.9° | 109.5° |
F04 | C08 | F03 | 108.5° | 109.5° |
C11 | C12 | C17 | 104.5° | 108.8° |
C11 | C12 | C13 | 145.1° | 131.1° |
C12 | C11 | H09 | 107.1° | 109.7° |
C12 | C11 | H17 | 107.1° | 109.9° |
F05 | C08 | C07 | 110.3° | 109.5° |
F05 | C08 | F03 | 110.3° | 109.4° |
C07 | C08 | F03 | 107.1° | 109.5° |
C08 | C07 | F02 | 107.2° | 109.5° |
C08 | C07 | F01 | 109.9° | 109.5° |
C18 | C17 | C12 | 108.9° | 108.9° |
C18 | C17 | C16 | 134.4° | 131.1° |
C17 | C18 | H10 | 112.9° | 109.7° |
C17 | C18 | H18 | 112.9° | 109.9° |
F02 | C07 | F01 | 107.9° | 109.4° |
C17 | C12 | C13 | 110.4° | 120.1° |
C12 | C17 | C16 | 116.6° | 120.0° |
C12 | C13 | C14 | 123.3° | 120.1° |
C12 | C13 | H03 | 118.4° | 120.0° |
C17 | C16 | C15 | 123.3° | 120.1° |
C17 | C16 | H04 | 118.3° | 120.0° |
C13 | C14 | C15 | 124.1° | 119.9° |
C13 | C14 | F06 | 116.1° | 120.0° |
C14 | C13 | H03 | 118.4° | 119.9° |
C16 | C15 | C14 | 122.2° | 119.8° |
C16 | C15 | O05 | 109.0° | 120.1° |
C15 | C16 | H04 | 118.3° | 120.0° |
C15 | C14 | F06 | 119.8° | 120.0° |
C14 | C15 | O05 | 128.6° | 120.1° |
C15 | O05 | C22 | 122.9° | 117.0° |
O05 | C22 | C23 | 111.5° | 109.5° |
O05 | C22 | C21 | 103.3° | 109.6° |
O05 | C22 | H06 | 111.9° | 109.7° |
C23 | C22 | C21 | 111.0° | 109.0° |
C22 | C23 | C24 | 107.8° | 109.2° |
C23 | C22 | H06 | 109.3° | 109.5° |
C22 | C23 | H21 | 109.9° | 109.5° |
C22 | C23 | H13 | 109.9° | 109.5° |
C22 | C21 | C20 | 109.1° | 109.2° |
C22 | C21 | H20 | 109.6° | 109.5° |
C22 | C21 | H12 | 109.6° | 109.6° |
C21 | C22 | H06 | 109.7° | 109.5° |
C23 | C24 | O06 | 109.4° | 109.4° |
C23 | C24 | H14 | 109.5° | 109.5° |
C23 | C24 | H22 | 109.5° | 109.5° |
C24 | C23 | H21 | 109.9° | 109.5° |
C24 | C23 | H13 | 109.9° | 109.5° |
C21 | C20 | O06 | 109.7° | 109.5° |
C21 | C20 | H19 | 109.4° | 109.5° |
C21 | C20 | H11 | 109.4° | 109.5° |
C20 | C21 | H20 | 109.6° | 109.6° |
C20 | C21 | H12 | 109.5° | 109.6° |
C24 | O06 | C20 | 116.6° | 114.1° |
O06 | C24 | H14 | 109.5° | 109.5° |
O06 | C24 | H22 | 109.5° | 109.4° |
O06 | C20 | H19 | 109.4° | 109.5° |
O06 | C20 | H11 | 109.4° | 109.5° |
H19 | C20 | H11 | 109.5° | 109.4° |
H20 | C21 | H12 | 109.5° | 109.5° |
H14 | C24 | H22 | 109.5° | 109.5° |
H23 | C01 | H07 | 109.4° | 109.4° |
H23 | C01 | H15 | 109.4° | 109.5° |
H07 | C01 | H15 | 109.5° | 109.5° |
H16 | C06 | H08 | 109.5° | 109.4° |
H09 | C11 | H17 | 109.5° | 109.8° |
H10 | C18 | H18 | 109.4° | 109.9° |
H21 | C23 | H13 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O02 | S01 | O01 | C01 | 123.8° | 131.5° |
O02 | S01 | O01 | C02 | 121.1° | 116.8° |
O02 | S01 | C01 | C02 | 119.6° | 111.6° |
O02 | S01 | C02 | C03 | 0.9° | 26.1° |
O02 | S01 | C02 | C19 | 176.5° | 153.7° |
O02 | S01 | C01 | H23 | 180.0° | 68.3° |
O02 | S01 | C01 | H07 | 60.0° | 51.6° |
O02 | S01 | C01 | H15 | 60.0° | 171.6° |
O01 | S01 | C01 | C02 | 117.1° | 111.6° |
O01 | S01 | C02 | C03 | 120.8° | 154.0° |
O01 | S01 | C02 | C19 | 61.8° | 25.8° |
O01 | S01 | C01 | H23 | 56.7° | 68.4° |
O01 | S01 | C01 | H07 | 63.3° | 171.7° |
O01 | S01 | C01 | H15 | 176.7° | 51.6° |
C01 | S01 | C02 | C03 | 121.7° | 90.0° |
C01 | S01 | C02 | C19 | 55.8° | 90.3° |
S01 | C01 | H23 | H07 | 120.0° | 120.0° |
S01 | C01 | H23 | H15 | 120.0° | 120.0° |
S01 | C01 | H07 | H15 | 120.0° | 120.0° |
S01 | C02 | C03 | C19 | 177.2° | 179.8° |
S01 | C02 | C03 | C04 | 178.8° | 180.0° |
S01 | C02 | C19 | C09 | 179.4° | 179.7° |
C02 | S01 | C01 | H23 | 60.4° | 179.9° |
C02 | S01 | C01 | H07 | 179.6° | 60.0° |
C02 | S01 | C01 | H15 | 59.6° | 60.0° |
S01 | C02 | C03 | H01 | 1.2° | 0.0° |
S01 | C02 | C19 | H05 | 0.6° | 0.0° |
C02 | C03 | C04 | H01 | 180.0° | 180.0° |
C03 | C02 | C19 | C09 | 1.9° | 0.5° |
C02 | C03 | C04 | C05 | 1.0° | 0.0° |
C02 | C03 | C04 | H02 | 179.0° | 180.0° |
C03 | C02 | C19 | H05 | 178.1° | 179.8° |
C19 | C02 | C03 | C04 | 1.5° | 0.2° |
C02 | C19 | C09 | H05 | 180.0° | 179.7° |
C02 | C19 | C09 | C05 | 1.8° | 0.5° |
C02 | C19 | C09 | C10 | 179.9° | 179.7° |
C19 | C02 | C03 | H01 | 178.4° | 179.8° |
C03 | C04 | C05 | H02 | 180.0° | 180.0° |
C03 | C04 | C05 | C09 | 1.0° | 0.0° |
C03 | C04 | C05 | O03 | 174.6° | 179.9° |
C19 | C09 | C05 | C04 | 1.5° | 0.3° |
C19 | C09 | C05 | C10 | 178.3° | 179.7° |
C19 | C09 | C05 | O03 | 175.4° | 179.8° |
C19 | C09 | C10 | O04 | 72.0° | 134.7° |
C19 | C09 | C10 | N01 | 114.0° | 45.6° |
C04 | C05 | C09 | O03 | 174.0° | 179.9° |
C04 | C05 | C09 | C10 | 179.8° | 180.0° |
C04 | C05 | O03 | C06 | 34.5° | 0.0° |
C05 | C04 | C03 | H01 | 179.0° | 180.0° |
C05 | C09 | C10 | O04 | 109.6° | 45.1° |
C05 | C09 | C10 | N01 | 64.3° | 134.7° |
C09 | C05 | O03 | C06 | 151.6° | 179.9° |
C09 | C05 | C04 | H02 | 179.0° | 180.0° |
C05 | C09 | C19 | H05 | 178.2° | 179.8° |
C10 | C09 | C05 | O03 | 6.2° | 0.0° |
C09 | C10 | O04 | N01 | 173.5° | 179.8° |
C09 | C10 | N01 | C11 | 10.1° | 4.8° |
C09 | C10 | N01 | C18 | 172.8° | 175.1° |
C10 | C09 | C19 | H05 | 0.1° | 0.0° |
C05 | O03 | C06 | C07 | 174.0° | 180.0° |
O03 | C05 | C04 | H02 | 5.4° | 0.1° |
C05 | O03 | C06 | H16 | 54.8° | 60.0° |
C05 | O03 | C06 | H08 | 66.7° | 60.0° |
O04 | C10 | N01 | C11 | 175.9° | 175.4° |
O04 | C10 | N01 | C18 | 1.2° | 4.7° |
C10 | N01 | C11 | C18 | 177.2° | 179.9° |
C10 | N01 | C11 | C12 | 176.4° | 180.0° |
C10 | N01 | C18 | C17 | 179.4° | 180.0° |
C10 | N01 | C11 | H09 | 55.1° | 60.6° |
C10 | N01 | C11 | H17 | 62.3° | 60.4° |
C10 | N01 | C18 | H10 | 63.0° | 60.5° |
C10 | N01 | C18 | H18 | 61.8° | 60.4° |
O03 | C06 | C07 | H16 | 119.2° | 120.0° |
O03 | C06 | C07 | H08 | 119.2° | 120.0° |
O03 | C06 | C07 | C08 | 70.4° | 60.0° |
O03 | C06 | C07 | F02 | 49.6° | 60.0° |
O03 | C06 | C07 | F01 | 167.7° | 180.0° |
O03 | C06 | H16 | H08 | 122.1° | 120.0° |
C06 | C07 | C08 | F04 | 59.7° | 180.0° |
C06 | C07 | C08 | F05 | 61.5° | 59.9° |
C06 | C07 | C08 | F02 | 122.0° | 120.0° |
C06 | C07 | C08 | F01 | 121.0° | 120.0° |
C06 | C07 | C08 | F03 | 178.4° | 60.0° |
C06 | C07 | F02 | F01 | 118.4° | 120.0° |
C07 | C06 | H16 | H08 | 122.2° | 120.0° |
N01 | C11 | C12 | H09 | 121.3° | 119.6° |
N01 | C11 | C12 | H17 | 121.3° | 119.6° |
C11 | N01 | C18 | C17 | 1.7° | 0.1° |
N01 | C11 | C12 | C17 | 3.3° | 0.0° |
N01 | C11 | C12 | C13 | 177.9° | 180.0° |
N01 | C11 | H09 | H17 | 115.8° | 120.9° |
C11 | N01 | C18 | H10 | 119.3° | 119.5° |
C11 | N01 | C18 | H18 | 115.9° | 119.5° |
C18 | N01 | C11 | C12 | 0.8° | 0.0° |
N01 | C18 | C17 | H10 | 117.6° | 119.5° |
N01 | C18 | C17 | H18 | 117.6° | 119.5° |
N01 | C18 | C17 | C12 | 3.5° | 0.1° |
N01 | C18 | C17 | C16 | 178.7° | 179.5° |
C18 | N01 | C11 | H09 | 122.1° | 119.5° |
C18 | N01 | C11 | H17 | 120.5° | 119.6° |
N01 | C18 | H10 | H18 | 126.6° | 120.8° |
F04 | C08 | F05 | C07 | 123.0° | 120.0° |
F04 | C08 | F05 | F03 | 118.9° | 120.0° |
F04 | C08 | C07 | F03 | 118.8° | 120.0° |
F04 | C08 | C07 | F02 | 62.3° | 60.0° |
F04 | C08 | C07 | F01 | 179.3° | 60.0° |
C11 | C12 | C17 | C18 | 4.1° | 0.1° |
C11 | C12 | C17 | C13 | 179.3° | 179.9° |
C11 | C12 | C17 | C16 | 179.7° | 179.5° |
C11 | C12 | C13 | C14 | 178.7° | 180.0° |
C11 | C12 | C13 | H03 | 1.3° | 0.2° |
C12 | C11 | H09 | H17 | 115.8° | 120.9° |
F05 | C08 | C07 | F03 | 120.1° | 119.9° |
F05 | C08 | C07 | F02 | 176.5° | 60.0° |
F05 | C08 | C07 | F01 | 59.5° | 180.0° |
C08 | C07 | F02 | F01 | 118.3° | 120.0° |
C08 | C07 | C06 | H16 | 170.3° | 60.0° |
C08 | C07 | C06 | H08 | 48.8° | 180.0° |
F03 | C08 | C07 | F02 | 56.5° | 180.0° |
F03 | C08 | C07 | F01 | 60.6° | 60.0° |
C18 | C17 | C12 | C16 | 176.2° | 179.5° |
C18 | C17 | C12 | C13 | 176.6° | 180.0° |
C18 | C17 | C16 | C15 | 175.6° | 180.0° |
C18 | C17 | C16 | H04 | 4.3° | 0.7° |
C17 | C18 | H10 | H18 | 126.6° | 121.0° |
F02 | C07 | C06 | H16 | 69.7° | 179.9° |
F02 | C07 | C06 | H08 | 168.8° | 60.0° |
F01 | C07 | C06 | H16 | 48.4° | 60.0° |
F01 | C07 | C06 | H08 | 73.1° | 59.9° |
C17 | C12 | C13 | C14 | 2.5° | 0.1° |
C12 | C17 | C16 | C15 | 0.7° | 0.7° |
C17 | C12 | C13 | H03 | 177.5° | 179.8° |
C17 | C12 | C11 | H09 | 124.6° | 119.5° |
C17 | C12 | C11 | H17 | 118.1° | 119.6° |
C12 | C17 | C16 | H04 | 179.3° | 180.0° |
C12 | C17 | C18 | H10 | 121.1° | 119.6° |
C12 | C17 | C18 | H18 | 114.2° | 119.4° |
C13 | C12 | C17 | C16 | 0.4° | 0.5° |
C12 | C13 | C14 | H03 | 180.0° | 179.8° |
C12 | C13 | C14 | C15 | 5.2° | 0.2° |
C12 | C13 | C14 | F06 | 176.8° | 179.8° |
C13 | C12 | C11 | H09 | 56.6° | 60.4° |
C13 | C12 | C11 | H17 | 60.8° | 60.4° |
C17 | C16 | C15 | H04 | 180.0° | 179.3° |
C17 | C16 | C15 | C14 | 3.1° | 0.5° |
C17 | C16 | C15 | O05 | 178.0° | 179.5° |
C16 | C17 | C18 | H10 | 63.7° | 61.0° |
C16 | C17 | C18 | H18 | 61.1° | 59.9° |
C13 | C14 | C15 | C16 | 5.4° | 0.0° |
C13 | C14 | C15 | F06 | 177.9° | 180.0° |
C13 | C14 | C15 | O05 | 179.3° | 179.9° |
C16 | C15 | C14 | O05 | 173.9° | 180.0° |
C16 | C15 | C14 | F06 | 176.7° | 180.0° |
C16 | C15 | O05 | C22 | 167.7° | 6.4° |
C14 | C15 | O05 | C22 | 17.8° | 173.5° |
C15 | C14 | C13 | H03 | 174.8° | 180.0° |
C14 | C15 | C16 | H04 | 176.9° | 179.8° |
F06 | C14 | C15 | O05 | 2.8° | 0.0° |
F06 | C14 | C13 | H03 | 3.2° | 0.1° |
C15 | O05 | C22 | C23 | 63.7° | 155.4° |
C15 | O05 | C22 | C21 | 177.0° | 85.1° |
C15 | O05 | C22 | H06 | 59.1° | 35.2° |
O05 | C15 | C16 | H04 | 2.0° | 0.2° |
O05 | C22 | C23 | C21 | 114.6° | 119.9° |
O05 | C22 | C23 | H06 | 124.3° | 120.3° |
O05 | C22 | C21 | H06 | 119.5° | 120.3° |
O05 | C22 | C23 | C24 | 168.0° | 176.9° |
O05 | C22 | C21 | C20 | 172.6° | 176.8° |
O05 | C22 | C21 | H20 | 52.6° | 63.2° |
O05 | C22 | C21 | H12 | 67.5° | 56.8° |
O05 | C22 | C23 | H21 | 72.2° | 63.2° |
O05 | C22 | C23 | H13 | 48.3° | 56.9° |
C23 | C22 | C21 | H06 | 120.9° | 119.8° |
C22 | C23 | C24 | H21 | 119.8° | 119.9° |
C22 | C23 | C24 | H13 | 119.7° | 119.9° |
C23 | C22 | C21 | C20 | 52.9° | 57.0° |
C22 | C23 | C24 | O06 | 55.8° | 57.6° |
C23 | C22 | C21 | H20 | 67.0° | 176.9° |
C23 | C22 | C21 | H12 | 172.8° | 63.0° |
C22 | C23 | C24 | H14 | 64.1° | 177.6° |
C22 | C23 | C24 | H22 | 175.8° | 62.3° |
C22 | C23 | H21 | H13 | 120.8° | 120.2° |
C21 | C22 | C23 | C24 | 53.4° | 57.0° |
C22 | C21 | C20 | H20 | 119.9° | 119.9° |
C22 | C21 | C20 | H12 | 120.0° | 120.0° |
C22 | C21 | C20 | O06 | 54.2° | 57.6° |
C22 | C21 | C20 | H19 | 174.2° | 177.6° |
C22 | C21 | C20 | H11 | 65.8° | 62.4° |
C22 | C21 | H20 | H12 | 120.2° | 120.1° |
C21 | C22 | C23 | H21 | 173.2° | 176.9° |
C21 | C22 | C23 | H13 | 66.3° | 62.9° |
C23 | C24 | O06 | H14 | 120.0° | 120.0° |
C23 | C24 | O06 | H22 | 120.0° | 120.0° |
C23 | C24 | O06 | C20 | 63.7° | 61.1° |
C24 | C23 | C22 | H06 | 67.7° | 62.8° |
C23 | C24 | H14 | H22 | 120.1° | 120.0° |
C24 | C23 | H21 | H13 | 120.7° | 120.2° |
C21 | C20 | O06 | C24 | 62.6° | 61.1° |
C21 | C20 | O06 | H19 | 120.0° | 120.0° |
C21 | C20 | O06 | H11 | 120.0° | 120.0° |
C21 | C20 | H19 | H11 | 119.9° | 120.0° |
C20 | C21 | H20 | H12 | 120.1° | 120.2° |
C20 | C21 | C22 | H06 | 68.0° | 62.9° |
C24 | O06 | C20 | H19 | 177.4° | 178.9° |
C24 | O06 | C20 | H11 | 57.4° | 58.9° |
O06 | C24 | H14 | H22 | 120.0° | 120.0° |
O06 | C24 | C23 | H21 | 175.6° | 177.5° |
O06 | C24 | C23 | H13 | 63.9° | 62.3° |
O06 | C20 | H19 | H11 | 119.9° | 120.0° |
O06 | C20 | C21 | H20 | 65.7° | 177.5° |
O06 | C20 | C21 | H12 | 174.2° | 62.4° |
C20 | O06 | C24 | H14 | 56.3° | 178.9° |
C20 | O06 | C24 | H22 | 176.3° | 58.9° |
H19 | C20 | C21 | H20 | 54.3° | 62.5° |
H19 | C20 | C21 | H12 | 65.8° | 57.6° |
H11 | C20 | C21 | H20 | 174.2° | 57.5° |
H11 | C20 | C21 | H12 | 54.1° | 177.6° |
H20 | C21 | C22 | H06 | 172.1° | 57.1° |
H12 | C21 | C22 | H06 | 52.0° | 177.2° |
H06 | C22 | C23 | H21 | 52.1° | 57.0° |
H06 | C22 | C23 | H13 | 172.6° | 177.2° |
H14 | C24 | C23 | H21 | 55.6° | 62.5° |
H14 | C24 | C23 | H13 | 176.1° | 57.7° |
H22 | C24 | C23 | H21 | 64.4° | 57.6° |
H22 | C24 | C23 | H13 | 56.1° | 177.7° |
H23 | C01 | H07 | H15 | 120.0° | 120.1° |
H01 | C03 | C04 | H02 | 1.0° | 0.0° |