EID
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C09 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
C01 | C02 | sing | 1.53Å | 1.52Å | |
C08 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
C02 | C03 | sing | 1.51Å | 1.52Å | |
C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
C07 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
C11 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
C06 | N05 | sing | 1.40Å | 1.46Å | |
C03 | N05 | sing | 1.35Å | 1.45Å | |
C03 | O04 | doub | 1.21Å | 1.18Å | |
N05 | C12 | sing | 1.47Å | 1.50Å | |
C12 | C13 | sing | 1.53Å | 1.48Å | |
C12 | C27 | sing | 1.51Å | 1.53Å | |
C12 | C25 | sing | 1.53Å | 1.52Å | |
O28 | C27 | doub | 1.21Å | 1.18Å | |
C13 | C14 | sing | 1.53Å | 1.49Å | |
C27 | O29 | sing | 1.34Å | 1.40Å | |
C26 | C25 | sing | 1.53Å | 1.51Å | |
C25 | C24 | sing | 1.53Å | 1.57Å | |
C30 | O29 | sing | 1.45Å | 1.40Å | |
C14 | N15 | sing | 1.47Å | 1.43Å | |
C24 | N15 | sing | 1.47Å | 1.51Å | |
N15 | C16 | sing | 1.47Å | 1.43Å | |
C16 | C17 | sing | 1.53Å | 1.53Å | |
C17 | C18 | sing | 1.51Å | 1.54Å | |
C18 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
C02 | H5 | sing | 1.09Å | 1.10Å | |
C07 | H6 | sing | 1.08Å | 1.08Å | |
C08 | H7 | sing | 1.08Å | 1.08Å | |
C09 | H8 | sing | 1.08Å | 1.08Å | |
C10 | H9 | sing | 1.08Å | 1.08Å | |
C11 | H10 | sing | 1.08Å | 1.08Å | |
C13 | H11 | sing | 1.09Å | 1.10Å | |
C13 | H12 | sing | 1.09Å | 1.10Å | |
C14 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C16 | H15 | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H18 | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C24 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H27 | sing | 1.09Å | 1.10Å | |
C26 | H28 | sing | 1.09Å | 1.10Å | |
C26 | H29 | sing | 1.09Å | 1.10Å | |
C30 | H30 | sing | 1.09Å | 1.10Å | |
C30 | H31 | sing | 1.09Å | 1.10Å | |
C30 | H32 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C08 | C09 | C10 | 121.1° | 120.2° |
C09 | C08 | C07 | 119.7° | 120.1° |
C09 | C08 | H7 | 120.2° | 120.0° |
C08 | C09 | H8 | 119.4° | 120.0° |
C09 | C10 | C11 | 119.5° | 120.0° |
C10 | C09 | H8 | 119.4° | 119.9° |
C09 | C10 | H9 | 120.3° | 120.0° |
C01 | C02 | C03 | 108.9° | 109.5° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.4° | 109.5° |
C01 | C02 | H4 | 109.6° | 109.5° |
C01 | C02 | H5 | 109.6° | 109.5° |
C08 | C07 | C06 | 119.8° | 119.9° |
C08 | C07 | H6 | 120.1° | 120.0° |
C07 | C08 | H7 | 120.1° | 120.0° |
C02 | C03 | N05 | 119.7° | 120.0° |
C02 | C03 | O04 | 118.3° | 120.0° |
C03 | C02 | H4 | 109.6° | 109.5° |
C03 | C02 | H5 | 109.6° | 109.5° |
C10 | C11 | C06 | 119.9° | 119.9° |
C11 | C10 | H9 | 120.3° | 120.0° |
C10 | C11 | H10 | 120.0° | 120.1° |
C07 | C06 | C11 | 120.0° | 119.8° |
C07 | C06 | N05 | 119.8° | 120.1° |
C06 | C07 | H6 | 120.1° | 120.0° |
C11 | C06 | N05 | 120.2° | 120.1° |
C06 | C11 | H10 | 120.1° | 120.0° |
C06 | N05 | C03 | 117.4° | 120.0° |
C06 | N05 | C12 | 121.4° | 120.0° |
N05 | C03 | O04 | 121.9° | 120.0° |
C03 | N05 | C12 | 121.2° | 120.0° |
N05 | C12 | C13 | 111.0° | 109.5° |
N05 | C12 | C27 | 108.8° | 109.5° |
N05 | C12 | C25 | 111.5° | 109.6° |
C13 | C12 | C27 | 108.7° | 109.6° |
C13 | C12 | C25 | 107.7° | 109.1° |
C12 | C13 | C14 | 113.7° | 109.3° |
C12 | C13 | H11 | 108.4° | 109.4° |
C12 | C13 | H12 | 108.4° | 109.5° |
C27 | C12 | C25 | 109.2° | 109.5° |
C12 | C27 | O28 | 120.3° | 120.0° |
C12 | C27 | O29 | 120.0° | 120.0° |
C12 | C25 | C26 | 110.5° | 109.5° |
C12 | C25 | C24 | 110.3° | 109.3° |
C12 | C25 | H26 | 109.2° | 109.5° |
O28 | C27 | O29 | 119.7° | 120.0° |
C13 | C14 | N15 | 106.1° | 109.5° |
C14 | C13 | H11 | 108.4° | 109.5° |
C14 | C13 | H12 | 108.4° | 109.6° |
C13 | C14 | H13 | 110.3° | 109.5° |
C13 | C14 | H14 | 110.3° | 109.4° |
C27 | O29 | C30 | 114.2° | 117.0° |
C26 | C25 | C24 | 108.7° | 109.5° |
C26 | C25 | H26 | 109.5° | 109.6° |
C25 | C26 | H27 | 109.5° | 109.5° |
C25 | C26 | H28 | 109.5° | 109.5° |
C25 | C26 | H29 | 109.5° | 109.5° |
C25 | C24 | N15 | 111.5° | 109.5° |
C25 | C24 | H24 | 109.0° | 109.5° |
C25 | C24 | H25 | 109.0° | 109.5° |
C24 | C25 | H26 | 108.6° | 109.5° |
O29 | C30 | H30 | 109.5° | 109.5° |
O29 | C30 | H31 | 109.5° | 109.4° |
O29 | C30 | H32 | 109.5° | 109.5° |
C14 | N15 | C24 | 110.4° | 111.2° |
C14 | N15 | C16 | 108.1° | 111.0° |
N15 | C14 | H13 | 110.3° | 109.5° |
N15 | C14 | H14 | 110.3° | 109.5° |
C24 | N15 | C16 | 108.8° | 111.0° |
N15 | C24 | H24 | 109.0° | 109.4° |
N15 | C24 | H25 | 108.9° | 109.5° |
N15 | C16 | C17 | 110.0° | 109.4° |
N15 | C16 | H15 | 109.3° | 109.5° |
N15 | C16 | H16 | 109.3° | 109.5° |
C16 | C17 | C18 | 109.5° | 109.5° |
C17 | C16 | H15 | 109.3° | 109.4° |
C17 | C16 | H16 | 109.3° | 109.5° |
C16 | C17 | H17 | 109.4° | 109.5° |
C16 | C17 | H18 | 109.4° | 109.5° |
C17 | C18 | C23 | 120.0° | 120.0° |
C17 | C18 | C19 | 119.9° | 120.0° |
C18 | C17 | H17 | 109.5° | 109.5° |
C18 | C17 | H18 | 109.5° | 109.5° |
C23 | C18 | C19 | 120.1° | 120.0° |
C18 | C23 | C22 | 119.7° | 120.0° |
C18 | C23 | H23 | 120.1° | 120.0° |
C18 | C19 | C20 | 119.8° | 120.0° |
C18 | C19 | H19 | 120.1° | 120.0° |
C23 | C22 | C21 | 120.0° | 120.0° |
C23 | C22 | H22 | 120.0° | 120.0° |
C22 | C23 | H23 | 120.1° | 120.0° |
C19 | C20 | C21 | 120.3° | 120.0° |
C20 | C19 | H19 | 120.1° | 120.0° |
C19 | C20 | H20 | 119.8° | 120.0° |
C22 | C21 | C20 | 120.0° | 120.0° |
C22 | C21 | H21 | 120.0° | 120.0° |
C21 | C22 | H22 | 120.0° | 120.0° |
C21 | C20 | H20 | 119.8° | 120.0° |
C20 | C21 | H21 | 120.0° | 120.0° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.4° |
H2 | C01 | H3 | 109.5° | 109.5° |
H4 | C02 | H5 | 109.5° | 109.4° |
H11 | C13 | H12 | 109.5° | 109.5° |
H13 | C14 | H14 | 109.5° | 109.4° |
H15 | C16 | H16 | 109.5° | 109.5° |
H17 | C17 | H18 | 109.5° | 109.4° |
H24 | C24 | H25 | 109.4° | 109.4° |
H27 | C26 | H28 | 109.5° | 109.4° |
H27 | C26 | H29 | 109.5° | 109.5° |
H28 | C26 | H29 | 109.4° | 109.5° |
H30 | C30 | H31 | 109.5° | 109.6° |
H30 | C30 | H32 | 109.5° | 109.4° |
H31 | C30 | H32 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C08 | C09 | C10 | H8 | 180.0° | 180.0° |
C09 | C08 | C07 | H7 | 180.0° | 179.9° |
C08 | C09 | C10 | C11 | 0.1° | 0.2° |
C09 | C08 | C07 | C06 | 0.6° | 0.1° |
C09 | C08 | C07 | H6 | 179.4° | 179.9° |
C08 | C09 | C10 | H9 | 179.9° | 180.0° |
C10 | C09 | C08 | C07 | 0.1° | 0.1° |
C09 | C10 | C11 | H9 | 180.0° | 179.7° |
C09 | C10 | C11 | C06 | 0.4° | 0.6° |
C10 | C09 | C08 | H7 | 179.9° | 180.0° |
C09 | C10 | C11 | H10 | 179.5° | 180.0° |
C01 | C02 | C03 | H4 | 119.9° | 120.0° |
C01 | C02 | C03 | H5 | 119.9° | 120.0° |
C01 | C02 | C03 | N05 | 151.2° | 116.3° |
C01 | C02 | C03 | O04 | 29.2° | 63.8° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | H4 | H5 | 120.3° | 120.0° |
C08 | C07 | C06 | H6 | 180.0° | 180.0° |
C08 | C07 | C06 | C11 | 0.9° | 0.3° |
C08 | C07 | C06 | N05 | 179.8° | 180.0° |
C07 | C08 | C09 | H8 | 179.9° | 180.0° |
C02 | C03 | N05 | C06 | 0.7° | 0.7° |
C02 | C03 | N05 | O04 | 179.6° | 179.9° |
C02 | C03 | N05 | C12 | 179.6° | 179.3° |
C03 | C02 | C01 | H1 | 180.0° | 180.0° |
C03 | C02 | C01 | H2 | 60.0° | 60.0° |
C03 | C02 | C01 | H3 | 60.0° | 60.0° |
C03 | C02 | H4 | H5 | 120.3° | 120.0° |
C10 | C11 | C06 | C07 | 0.9° | 0.6° |
C10 | C11 | C06 | H10 | 180.0° | 179.4° |
C10 | C11 | C06 | N05 | 179.7° | 179.7° |
C11 | C10 | C09 | H8 | 179.9° | 179.7° |
C07 | C06 | C11 | N05 | 178.9° | 179.7° |
C07 | C06 | N05 | C03 | 88.9° | 65.0° |
C07 | C06 | N05 | C12 | 90.0° | 115.0° |
C06 | C07 | C08 | H7 | 179.5° | 180.0° |
C07 | C06 | C11 | H10 | 179.1° | 180.0° |
C11 | C06 | N05 | C03 | 90.0° | 115.3° |
C11 | C06 | N05 | C12 | 91.2° | 64.7° |
C11 | C06 | C07 | H6 | 179.1° | 179.7° |
C06 | C11 | C10 | H9 | 179.6° | 179.7° |
C06 | N05 | C03 | C12 | 178.9° | 180.0° |
C06 | N05 | C03 | O04 | 179.7° | 179.2° |
C06 | N05 | C12 | C13 | 5.0° | 137.6° |
C06 | N05 | C12 | C27 | 124.6° | 17.4° |
C06 | N05 | C12 | C25 | 115.0° | 102.7° |
N05 | C06 | C07 | H6 | 0.2° | 0.0° |
N05 | C06 | C11 | H10 | 0.3° | 0.3° |
C03 | N05 | C12 | C13 | 173.8° | 42.4° |
C03 | N05 | C12 | C27 | 54.3° | 162.6° |
C03 | N05 | C12 | C25 | 66.2° | 77.2° |
N05 | C03 | C02 | H4 | 31.3° | 3.8° |
N05 | C03 | C02 | H5 | 88.9° | 123.7° |
O04 | C03 | N05 | C12 | 0.8° | 0.8° |
O04 | C03 | C02 | H4 | 149.1° | 176.2° |
O04 | C03 | C02 | H5 | 90.7° | 56.2° |
N05 | C12 | C13 | C27 | 119.6° | 120.2° |
N05 | C12 | C13 | C25 | 122.3° | 119.9° |
N05 | C12 | C27 | C25 | 121.9° | 120.2° |
N05 | C12 | C27 | O28 | 77.6° | 139.3° |
N05 | C12 | C13 | C14 | 176.5° | 177.6° |
N05 | C12 | C27 | O29 | 101.2° | 40.7° |
N05 | C12 | C25 | C26 | 52.1° | 57.7° |
N05 | C12 | C25 | C24 | 172.3° | 177.6° |
N05 | C12 | C13 | H11 | 55.9° | 62.5° |
N05 | C12 | C13 | H12 | 62.8° | 57.6° |
N05 | C12 | C25 | H26 | 68.4° | 62.5° |
C13 | C12 | C27 | C25 | 117.2° | 119.7° |
C13 | C12 | C27 | O28 | 43.3° | 100.5° |
C12 | C13 | C14 | H11 | 120.6° | 119.8° |
C12 | C13 | C14 | H12 | 120.6° | 120.0° |
C13 | C12 | C27 | O29 | 137.8° | 79.5° |
C13 | C12 | C25 | C26 | 69.8° | 62.3° |
C13 | C12 | C25 | C24 | 50.3° | 57.7° |
C12 | C13 | C14 | N15 | 67.8° | 59.2° |
C12 | C13 | H11 | H12 | 118.0° | 120.1° |
C12 | C13 | C14 | H13 | 51.7° | 60.9° |
C12 | C13 | C14 | H14 | 172.7° | 179.3° |
C13 | C12 | C25 | H26 | 169.6° | 177.6° |
C12 | C27 | O28 | O29 | 178.9° | 180.0° |
C27 | C12 | C13 | C14 | 56.9° | 62.2° |
C27 | C12 | C25 | C26 | 172.3° | 177.8° |
C27 | C12 | C25 | C24 | 67.5° | 62.2° |
C12 | C27 | O29 | C30 | 163.1° | 180.0° |
C27 | C12 | C13 | H11 | 63.7° | 57.7° |
C27 | C12 | C13 | H12 | 177.6° | 177.8° |
C27 | C12 | C25 | H26 | 51.8° | 57.6° |
C25 | C12 | C27 | O28 | 160.5° | 19.1° |
C25 | C12 | C13 | C14 | 61.2° | 57.7° |
C25 | C12 | C27 | O29 | 20.6° | 160.8° |
C12 | C25 | C26 | C24 | 121.1° | 119.8° |
C12 | C25 | C26 | H26 | 120.4° | 120.1° |
C12 | C25 | C24 | H26 | 119.7° | 119.9° |
C12 | C25 | C24 | N15 | 50.3° | 59.2° |
C25 | C12 | C13 | H11 | 178.1° | 177.6° |
C25 | C12 | C13 | H12 | 59.4° | 62.3° |
C12 | C25 | C24 | H24 | 170.6° | 179.2° |
C12 | C25 | C24 | H25 | 70.1° | 60.8° |
C12 | C25 | C26 | H27 | 180.0° | 65.4° |
C12 | C25 | C26 | H28 | 60.0° | 174.6° |
C12 | C25 | C26 | H29 | 60.0° | 54.6° |
O28 | C27 | O29 | C30 | 15.8° | 0.0° |
C13 | C14 | N15 | H13 | 119.4° | 120.1° |
C13 | C14 | N15 | H14 | 119.5° | 120.0° |
C13 | C14 | N15 | C24 | 63.1° | 61.8° |
C13 | C14 | N15 | C16 | 178.0° | 174.1° |
C14 | C13 | H11 | H12 | 118.1° | 120.2° |
C13 | C14 | H13 | H14 | 121.5° | 119.9° |
C27 | O29 | C30 | H30 | 180.0° | 60.0° |
C27 | O29 | C30 | H31 | 60.0° | 60.1° |
C27 | O29 | C30 | H32 | 60.0° | 179.9° |
C26 | C25 | C24 | H26 | 119.0° | 120.1° |
C26 | C25 | C24 | N15 | 71.0° | 60.8° |
C26 | C25 | C24 | H24 | 49.3° | 59.2° |
C26 | C25 | C24 | H25 | 168.7° | 179.2° |
C25 | C26 | H27 | H28 | 120.0° | 120.0° |
C25 | C26 | H27 | H29 | 120.0° | 120.0° |
C25 | C26 | H28 | H29 | 120.0° | 120.0° |
C25 | C24 | N15 | C14 | 57.6° | 61.8° |
C25 | C24 | N15 | H24 | 120.3° | 120.0° |
C25 | C24 | N15 | H25 | 120.3° | 120.0° |
C25 | C24 | N15 | C16 | 176.2° | 174.1° |
C25 | C24 | H24 | H25 | 119.1° | 120.0° |
C24 | C25 | C26 | H27 | 58.9° | 174.8° |
C24 | C25 | C26 | H28 | 61.1° | 54.8° |
C24 | C25 | C26 | H29 | 178.9° | 65.2° |
O29 | C30 | H30 | H31 | 120.0° | 120.0° |
O29 | C30 | H30 | H32 | 120.0° | 119.9° |
O29 | C30 | H31 | H32 | 120.0° | 120.0° |
C14 | N15 | C24 | C16 | 118.5° | 124.1° |
C14 | N15 | C16 | C17 | 134.0° | 66.0° |
N15 | C14 | C13 | H11 | 171.6° | 179.1° |
N15 | C14 | C13 | H12 | 52.8° | 60.7° |
N15 | C14 | H13 | H14 | 121.6° | 120.0° |
C14 | N15 | C16 | H15 | 105.9° | 53.9° |
C14 | N15 | C16 | H16 | 14.0° | 173.9° |
C14 | N15 | C24 | H24 | 178.0° | 178.2° |
C14 | N15 | C24 | H25 | 62.7° | 58.3° |
C24 | N15 | C16 | C17 | 106.0° | 169.8° |
C24 | N15 | C14 | H13 | 56.4° | 58.3° |
C24 | N15 | C14 | H14 | 177.4° | 178.2° |
C24 | N15 | C16 | H15 | 14.1° | 70.3° |
C24 | N15 | C16 | H16 | 133.9° | 49.7° |
N15 | C24 | H24 | H25 | 119.0° | 120.0° |
N15 | C24 | C25 | H26 | 169.9° | 179.1° |
N15 | C16 | C17 | H15 | 120.1° | 120.0° |
N15 | C16 | C17 | H16 | 120.1° | 120.0° |
N15 | C16 | C17 | C18 | 157.1° | 180.0° |
C16 | N15 | C14 | H13 | 62.6° | 65.8° |
C16 | N15 | C14 | H14 | 58.5° | 54.2° |
N15 | C16 | H15 | H16 | 119.7° | 120.1° |
N15 | C16 | C17 | H17 | 37.0° | 60.0° |
N15 | C16 | C17 | H18 | 82.9° | 60.0° |
C16 | N15 | C24 | H24 | 63.5° | 54.1° |
C16 | N15 | C24 | H25 | 55.8° | 65.8° |
C16 | C17 | C18 | H17 | 120.0° | 120.0° |
C16 | C17 | C18 | H18 | 120.0° | 120.0° |
C16 | C17 | C18 | C23 | 12.6° | 90.0° |
C16 | C17 | C18 | C19 | 167.3° | 89.7° |
C17 | C16 | H15 | H16 | 119.8° | 120.0° |
C16 | C17 | H17 | H18 | 120.0° | 120.0° |
C17 | C18 | C23 | C19 | 179.9° | 179.8° |
C17 | C18 | C23 | C22 | 179.9° | 179.7° |
C17 | C18 | C19 | C20 | 180.0° | 180.0° |
C18 | C17 | C16 | H15 | 82.8° | 60.0° |
C18 | C17 | C16 | H16 | 37.0° | 60.0° |
C18 | C17 | H17 | H18 | 120.0° | 120.0° |
C17 | C18 | C19 | H19 | 0.0° | 0.0° |
C17 | C18 | C23 | H23 | 0.1° | 0.0° |
C18 | C23 | C22 | H23 | 180.0° | 179.7° |
C23 | C18 | C19 | C20 | 0.1° | 0.2° |
C18 | C23 | C22 | C21 | 0.0° | 0.5° |
C23 | C18 | C17 | H17 | 132.6° | 30.0° |
C23 | C18 | C17 | H18 | 107.4° | 150.0° |
C23 | C18 | C19 | H19 | 179.9° | 179.7° |
C18 | C23 | C22 | H22 | 180.0° | 179.7° |
C19 | C18 | C23 | C22 | 0.1° | 0.5° |
C18 | C19 | C20 | H19 | 180.0° | 180.0° |
C18 | C19 | C20 | C21 | 0.1° | 0.0° |
C19 | C18 | C17 | H17 | 47.3° | 150.3° |
C19 | C18 | C17 | H18 | 72.7° | 30.3° |
C18 | C19 | C20 | H20 | 179.9° | 180.0° |
C19 | C18 | C23 | H23 | 180.0° | 179.8° |
C23 | C22 | C21 | H22 | 180.0° | 179.8° |
C23 | C22 | C21 | C20 | 0.0° | 0.2° |
C23 | C22 | C21 | H21 | 180.0° | 179.8° |
C19 | C20 | C21 | C22 | 0.0° | 0.0° |
C19 | C20 | C21 | H20 | 180.0° | 179.9° |
C19 | C20 | C21 | H21 | 180.0° | 179.9° |
C22 | C21 | C20 | H21 | 180.0° | 179.9° |
C22 | C21 | C20 | H20 | 180.0° | 180.0° |
C21 | C22 | C23 | H23 | 180.0° | 179.8° |
C21 | C20 | C19 | H19 | 179.9° | 180.0° |
C20 | C21 | C22 | H22 | 180.0° | 180.0° |
H1 | C01 | H2 | H3 | 120.0° | 119.9° |
H1 | C01 | C02 | H4 | 60.1° | 60.0° |
H1 | C01 | C02 | H5 | 60.1° | 59.9° |
H2 | C01 | C02 | H4 | 59.9° | 60.0° |
H2 | C01 | C02 | H5 | 179.9° | 179.9° |
H3 | C01 | C02 | H4 | 179.9° | 180.0° |
H3 | C01 | C02 | H5 | 59.9° | 60.0° |
H6 | C07 | C08 | H7 | 0.5° | 0.0° |
H7 | C08 | C09 | H8 | 0.1° | 0.0° |
H8 | C09 | C10 | H9 | 0.1° | 0.0° |
H9 | C10 | C11 | H10 | 0.4° | 0.3° |
H11 | C13 | C14 | H13 | 68.9° | 59.0° |
H11 | C13 | C14 | H14 | 52.1° | 60.9° |
H12 | C13 | C14 | H13 | 172.3° | 179.2° |
H12 | C13 | C14 | H14 | 66.7° | 59.3° |
H15 | C16 | C17 | H17 | 157.1° | 60.0° |
H15 | C16 | C17 | H18 | 37.1° | 180.0° |
H16 | C16 | C17 | H17 | 83.0° | 180.0° |
H16 | C16 | C17 | H18 | 157.0° | 60.0° |
H19 | C19 | C20 | H20 | 0.1° | 0.1° |
H20 | C20 | C21 | H21 | 0.0° | 0.0° |
H21 | C21 | C22 | H22 | 0.0° | 0.0° |
H22 | C22 | C23 | H23 | 0.0° | 0.0° |
H24 | C24 | C25 | H26 | 69.7° | 60.9° |
H25 | C24 | C25 | H26 | 49.6° | 59.1° |
H26 | C25 | C26 | H27 | 59.6° | 54.7° |
H26 | C25 | C26 | H28 | 179.6° | 65.3° |
H26 | C25 | C26 | H29 | 60.4° | 174.7° |
H27 | C26 | H28 | H29 | 120.0° | 120.0° |
H30 | C30 | H31 | H32 | 120.0° | 120.0° |