WFJ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N06 | C05 | sing | 1.39Å | 1.35Å | |
C05 | N04 | doub | 1.32Å | 1.32Å | Aromatic |
C05 | N07 | sing | 1.32Å | 1.34Å | Aromatic |
N04 | C03 | sing | 1.33Å | 1.34Å | Aromatic |
N07 | C08 | doub | 1.33Å | 1.33Å | Aromatic |
C03 | C02 | sing | 1.51Å | 1.51Å | |
C03 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
C08 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
C08 | N09 | sing | 1.39Å | 1.35Å | |
C01 | C02 | sing | 1.53Å | 1.55Å | |
C10 | O11 | sing | 1.36Å | 1.39Å | |
O11 | C12 | sing | 1.43Å | 1.46Å | |
C12 | C13 | sing | 1.53Å | 1.51Å | |
C27 | C28 | sing | 1.53Å | 1.53Å | |
C27 | C26 | sing | 1.53Å | 1.53Å | |
O31 | C29 | doub | 1.21Å | 1.19Å | |
C28 | N23 | sing | 1.47Å | 1.44Å | |
C29 | C26 | sing | 1.51Å | 1.50Å | |
C29 | O30 | sing | 1.34Å | 1.37Å | |
C26 | C25 | sing | 1.53Å | 1.54Å | |
C13 | C14 | sing | 1.54Å | 1.56Å | |
C13 | C16 | sing | 1.54Å | 1.56Å | |
C14 | N15 | sing | 1.48Å | 1.48Å | |
N15 | C17 | sing | 1.40Å | 1.39Å | |
N15 | C16 | sing | 1.48Å | 1.48Å | |
N23 | C22 | sing | 1.40Å | 1.41Å | |
N23 | C24 | sing | 1.47Å | 1.46Å | |
C17 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
C22 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C24 | sing | 1.53Å | 1.54Å | |
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 | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C12 | H7 | sing | 1.09Å | 1.10Å | |
C13 | H8 | sing | 1.09Å | 1.10Å | |
C14 | H9 | sing | 1.09Å | 1.10Å | |
C14 | H10 | sing | 1.09Å | 1.10Å | |
C16 | H11 | sing | 1.09Å | 1.10Å | |
C16 | H12 | sing | 1.09Å | 1.10Å | |
C18 | H13 | sing | 1.08Å | 1.08Å | |
C19 | H14 | sing | 1.08Å | 1.08Å | |
C20 | H15 | sing | 1.08Å | 1.08Å | |
C21 | H16 | sing | 1.08Å | 1.08Å | |
C24 | H17 | sing | 1.09Å | 1.10Å | |
C24 | H18 | sing | 1.09Å | 1.10Å | |
C25 | H19 | sing | 1.09Å | 1.10Å | |
C25 | H20 | sing | 1.09Å | 1.10Å | |
C26 | H21 | sing | 1.09Å | 1.10Å | |
C27 | H22 | sing | 1.09Å | 1.10Å | |
C27 | H23 | sing | 1.09Å | 1.10Å | |
C28 | H24 | sing | 1.09Å | 1.10Å | |
C28 | H25 | sing | 1.09Å | 1.10Å | |
N06 | H26 | sing | 0.97Å | 1.00Å | |
N06 | H27 | sing | 0.97Å | 1.00Å | |
N09 | H28 | sing | 0.97Å | 1.00Å | |
N09 | H29 | sing | 0.97Å | 1.00Å | |
O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N06 | C05 | N04 | 117.3° | 119.1° |
N06 | C05 | N07 | 118.2° | 119.1° |
C05 | N06 | H26 | 109.5° | 120.0° |
C05 | N06 | H27 | 109.5° | 120.0° |
N04 | C05 | N07 | 124.5° | 121.7° |
C05 | N04 | C03 | 119.4° | 121.0° |
C05 | N07 | C08 | 117.4° | 120.7° |
N04 | C03 | C02 | 116.0° | 120.4° |
N04 | C03 | C10 | 120.0° | 119.2° |
N07 | C08 | C10 | 120.6° | 119.0° |
N07 | C08 | N09 | 117.4° | 120.5° |
C02 | C03 | C10 | 124.0° | 120.4° |
C03 | C02 | C01 | 110.9° | 109.5° |
C03 | C02 | H4 | 109.1° | 109.4° |
C03 | C02 | H5 | 109.1° | 109.5° |
C03 | C10 | C08 | 118.0° | 118.4° |
C03 | C10 | O11 | 122.2° | 120.8° |
C10 | C08 | N09 | 121.9° | 120.5° |
C08 | C10 | O11 | 119.8° | 120.8° |
C08 | N09 | H28 | 109.5° | 120.0° |
C08 | N09 | H29 | 109.5° | 120.0° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.4° | 109.5° |
C02 | C01 | H3 | 109.5° | 109.5° |
C01 | C02 | H4 | 109.1° | 109.4° |
C01 | C02 | H5 | 109.1° | 109.5° |
C10 | O11 | C12 | 109.4° | 117.1° |
O11 | C12 | C13 | 111.1° | 109.5° |
O11 | C12 | H6 | 109.1° | 109.4° |
O11 | C12 | H7 | 109.1° | 109.4° |
C12 | C13 | C14 | 117.7° | 113.8° |
C12 | C13 | C16 | 112.7° | 113.8° |
C13 | C12 | H6 | 109.1° | 109.5° |
C13 | C12 | H7 | 109.1° | 109.5° |
C12 | C13 | H8 | 112.9° | 113.0° |
C28 | C27 | C26 | 109.7° | 109.3° |
C27 | C28 | N23 | 112.3° | 109.5° |
C28 | C27 | H22 | 109.4° | 109.6° |
C28 | C27 | H23 | 109.4° | 109.5° |
C27 | C28 | H24 | 108.8° | 109.5° |
C27 | C28 | H25 | 108.7° | 109.5° |
C27 | C26 | C29 | 107.2° | 109.6° |
C27 | C26 | C25 | 110.4° | 109.2° |
C27 | C26 | H21 | 109.9° | 109.5° |
C26 | C27 | H22 | 109.4° | 109.5° |
C26 | C27 | H23 | 109.4° | 109.5° |
O31 | C29 | C26 | 125.4° | 120.0° |
O31 | C29 | O30 | 121.0° | 120.0° |
C28 | N23 | C22 | 114.1° | 111.0° |
C28 | N23 | C24 | 113.8° | 111.2° |
N23 | C28 | H24 | 108.8° | 109.4° |
N23 | C28 | H25 | 108.8° | 109.4° |
C26 | C29 | O30 | 113.5° | 120.0° |
C29 | C26 | C25 | 109.1° | 109.5° |
C29 | C26 | H21 | 110.3° | 109.5° |
C29 | O30 | H30 | 109.5° | 117.0° |
C26 | C25 | C24 | 111.3° | 109.3° |
C26 | C25 | H19 | 109.0° | 109.5° |
C26 | C25 | H20 | 109.0° | 109.6° |
C25 | C26 | H21 | 109.8° | 109.5° |
C14 | C13 | C16 | 86.9° | 86.3° |
C13 | C14 | N15 | 85.9° | 86.2° |
C14 | C13 | H8 | 112.0° | 113.7° |
C13 | C14 | H9 | 115.0° | 113.8° |
C13 | C14 | H10 | 115.0° | 113.7° |
C13 | C16 | N15 | 85.6° | 86.2° |
C16 | C13 | H8 | 112.0° | 113.8° |
C13 | C16 | H11 | 115.1° | 113.8° |
C13 | C16 | H12 | 115.1° | 113.8° |
C14 | N15 | C17 | 126.6° | 111.0° |
C14 | N15 | C16 | 93.1° | 90.8° |
N15 | C14 | H9 | 115.0° | 113.8° |
N15 | C14 | H10 | 115.0° | 113.8° |
C17 | N15 | C16 | 136.5° | 111.0° |
N15 | C17 | C22 | 123.0° | 120.1° |
N15 | C17 | C18 | 118.6° | 120.1° |
N15 | C16 | H11 | 115.1° | 113.8° |
N15 | C16 | H12 | 115.1° | 113.9° |
C22 | N23 | C24 | 116.8° | 111.0° |
N23 | C22 | C17 | 117.8° | 120.1° |
N23 | C22 | C21 | 123.0° | 120.1° |
N23 | C24 | C25 | 114.6° | 109.5° |
N23 | C24 | H17 | 108.2° | 109.5° |
N23 | C24 | H18 | 108.2° | 109.5° |
C22 | C17 | C18 | 118.4° | 119.8° |
C17 | C22 | C21 | 119.2° | 119.8° |
C17 | C18 | C19 | 121.4° | 120.0° |
C17 | C18 | H13 | 119.3° | 120.0° |
C22 | C21 | C20 | 121.9° | 120.0° |
C22 | C21 | H16 | 119.0° | 120.0° |
C18 | C19 | C20 | 120.5° | 120.2° |
C19 | C18 | H13 | 119.3° | 120.0° |
C18 | C19 | H14 | 119.7° | 119.9° |
C21 | C20 | C19 | 118.5° | 120.3° |
C21 | C20 | H15 | 120.7° | 119.9° |
C20 | C21 | H16 | 119.1° | 120.1° |
C20 | C19 | H14 | 119.7° | 119.9° |
C19 | C20 | H15 | 120.7° | 119.9° |
C25 | C24 | H17 | 108.2° | 109.4° |
C25 | C24 | H18 | 108.2° | 109.5° |
C24 | C25 | H19 | 109.0° | 109.5° |
C24 | C25 | H20 | 109.0° | 109.5° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.4° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H4 | C02 | H5 | 109.5° | 109.5° |
H6 | C12 | H7 | 109.5° | 109.5° |
H9 | C14 | H10 | 109.5° | 113.0° |
H11 | C16 | H12 | 109.4° | 112.9° |
H17 | C24 | H18 | 109.5° | 109.5° |
H19 | C25 | H20 | 109.5° | 109.5° |
H22 | C27 | H23 | 109.5° | 109.5° |
H24 | C28 | H25 | 109.5° | 109.5° |
H26 | N06 | H27 | 109.4° | 120.0° |
H28 | N09 | H29 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N06 | C05 | N04 | N07 | 179.2° | 179.9° |
N06 | C05 | N04 | C03 | 178.5° | 180.0° |
N06 | C05 | N07 | C08 | 178.4° | 179.7° |
C05 | N06 | H26 | H27 | 120.0° | 179.9° |
N04 | C05 | N07 | C08 | 0.8° | 0.2° |
C05 | N04 | C03 | C02 | 179.6° | 180.0° |
C05 | N04 | C03 | C10 | 0.1° | 0.3° |
N04 | C05 | N06 | H26 | 0.0° | 0.1° |
N04 | C05 | N06 | H27 | 120.0° | 180.0° |
N07 | C05 | N04 | C03 | 0.7° | 0.1° |
C05 | N07 | C08 | C10 | 0.0° | 0.3° |
C05 | N07 | C08 | N09 | 178.9° | 179.8° |
N07 | C05 | N06 | H26 | 179.2° | 180.0° |
N07 | C05 | N06 | H27 | 60.8° | 0.1° |
N04 | C03 | C02 | C10 | 179.5° | 179.7° |
N04 | C03 | C10 | C08 | 0.8° | 0.3° |
N04 | C03 | C02 | C01 | 62.6° | 90.3° |
N04 | C03 | C10 | O11 | 179.3° | 179.7° |
N04 | C03 | C02 | H4 | 177.2° | 149.8° |
N04 | C03 | C02 | H5 | 57.6° | 29.8° |
N07 | C08 | C10 | C03 | 0.7° | 0.0° |
N07 | C08 | C10 | N09 | 178.8° | 179.9° |
N07 | C08 | C10 | O11 | 179.4° | 180.0° |
N07 | C08 | N09 | H28 | 0.0° | 180.0° |
N07 | C08 | N09 | H29 | 120.0° | 0.0° |
C02 | C03 | C10 | C08 | 179.7° | 180.0° |
C03 | C02 | C01 | H4 | 120.2° | 119.9° |
C03 | C02 | C01 | H5 | 120.2° | 120.0° |
C02 | C03 | C10 | O11 | 0.2° | 0.0° |
C03 | C02 | C01 | H1 | 180.0° | 60.0° |
C03 | C02 | C01 | H2 | 60.0° | 180.0° |
C03 | C02 | C01 | H3 | 60.0° | 60.0° |
C03 | C02 | H4 | H5 | 119.4° | 120.0° |
C03 | C10 | C08 | O11 | 179.9° | 180.0° |
C03 | C10 | C08 | N09 | 178.1° | 180.0° |
C10 | C03 | C02 | C01 | 116.9° | 90.0° |
C03 | C10 | O11 | C12 | 87.8° | 90.0° |
C10 | C03 | C02 | H4 | 3.3° | 30.0° |
C10 | C03 | C02 | H5 | 122.9° | 150.0° |
C08 | C10 | O11 | C12 | 92.3° | 90.0° |
C10 | C08 | N09 | H28 | 178.8° | 0.0° |
C10 | C08 | N09 | H29 | 58.9° | 180.0° |
N09 | C08 | C10 | O11 | 1.8° | 0.1° |
C08 | N09 | H28 | H29 | 120.0° | 180.0° |
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 | 119.3° | 120.0° |
C10 | O11 | C12 | C13 | 171.7° | 180.0° |
C10 | O11 | C12 | H6 | 51.5° | 60.0° |
C10 | O11 | C12 | H7 | 68.0° | 60.0° |
O11 | C12 | C13 | H6 | 120.3° | 120.0° |
O11 | C12 | C13 | H7 | 120.2° | 120.0° |
O11 | C12 | C13 | C14 | 40.8° | 175.0° |
O11 | C12 | C13 | C16 | 139.7° | 88.3° |
O11 | C12 | H6 | H7 | 119.2° | 119.9° |
O11 | C12 | C13 | H8 | 92.2° | 43.4° |
C12 | C13 | C14 | C16 | 114.1° | 114.4° |
C12 | C13 | C14 | H8 | 133.4° | 131.2° |
C12 | C13 | C16 | H8 | 128.6° | 131.3° |
C12 | C13 | C14 | N15 | 92.9° | 90.6° |
C12 | C13 | C16 | N15 | 97.7° | 90.6° |
C13 | C12 | H6 | H7 | 119.2° | 120.1° |
C12 | C13 | C14 | H9 | 151.3° | 155.0° |
C12 | C13 | C14 | H10 | 22.8° | 23.7° |
C12 | C13 | C16 | H11 | 18.0° | 23.7° |
C12 | C13 | C16 | H12 | 146.6° | 154.9° |
C28 | C27 | C26 | H22 | 120.0° | 120.0° |
C28 | C27 | C26 | H23 | 120.0° | 120.0° |
C27 | C28 | N23 | H24 | 120.4° | 120.1° |
C27 | C28 | N23 | H25 | 120.4° | 120.0° |
C28 | C27 | C26 | C29 | 175.1° | 177.6° |
C28 | C27 | C26 | C25 | 56.4° | 57.6° |
C27 | C28 | N23 | C22 | 168.1° | 174.2° |
C27 | C28 | N23 | C24 | 54.5° | 61.7° |
C28 | C27 | C26 | H21 | 64.9° | 62.2° |
C28 | C27 | H22 | H23 | 119.9° | 120.1° |
C27 | C28 | H24 | H25 | 118.7° | 120.0° |
C27 | C26 | C29 | O31 | 17.7° | 119.7° |
C26 | C27 | C28 | N23 | 58.2° | 59.2° |
C27 | C26 | C29 | C25 | 119.6° | 119.7° |
C27 | C26 | C29 | H21 | 119.7° | 120.2° |
C27 | C26 | C29 | O30 | 162.4° | 60.3° |
C27 | C26 | C25 | H21 | 121.4° | 119.8° |
C27 | C26 | C25 | C24 | 51.3° | 57.6° |
C27 | C26 | C25 | H19 | 171.5° | 62.3° |
C27 | C26 | C25 | H20 | 69.0° | 177.6° |
C26 | C27 | H22 | H23 | 119.9° | 120.0° |
C26 | C27 | C28 | H24 | 178.6° | 179.2° |
C26 | C27 | C28 | H25 | 62.2° | 60.8° |
O31 | C29 | C26 | O30 | 179.9° | 180.0° |
O31 | C29 | C26 | C25 | 101.9° | 0.0° |
O31 | C29 | C26 | H21 | 137.4° | 120.1° |
O31 | C29 | O30 | H30 | 0.0° | 0.0° |
C28 | N23 | C22 | C24 | 136.2° | 124.2° |
C28 | N23 | C22 | C17 | 106.0° | 120.0° |
C28 | N23 | C22 | C21 | 73.2° | 60.0° |
C28 | N23 | C24 | C25 | 49.4° | 61.7° |
C28 | N23 | C24 | H17 | 170.2° | 58.3° |
C28 | N23 | C24 | H18 | 71.3° | 178.3° |
N23 | C28 | C27 | H22 | 178.2° | 60.8° |
N23 | C28 | C27 | H23 | 61.9° | 179.1° |
N23 | C28 | H24 | H25 | 118.7° | 119.9° |
C29 | C26 | C25 | H21 | 121.1° | 120.1° |
C29 | C26 | C25 | C24 | 168.8° | 177.6° |
C29 | C26 | C25 | H19 | 70.9° | 57.7° |
C29 | C26 | C25 | H20 | 48.6° | 62.4° |
C29 | C26 | C27 | H22 | 64.8° | 57.6° |
C29 | C26 | C27 | H23 | 55.1° | 62.5° |
C26 | C29 | O30 | H30 | 179.9° | 180.0° |
O30 | C29 | C26 | C25 | 78.0° | 180.0° |
O30 | C29 | C26 | H21 | 42.7° | 59.9° |
C26 | C25 | C24 | N23 | 47.6° | 59.1° |
C26 | C25 | C24 | H19 | 120.3° | 119.9° |
C26 | C25 | C24 | H20 | 120.3° | 120.0° |
C26 | C25 | C24 | H17 | 168.3° | 60.9° |
C26 | C25 | C24 | H18 | 73.2° | 179.2° |
C26 | C25 | H19 | H20 | 119.2° | 120.1° |
C25 | C26 | C27 | H22 | 176.4° | 62.4° |
C25 | C26 | C27 | H23 | 63.7° | 177.6° |
C14 | C13 | C16 | H8 | 112.5° | 114.3° |
C13 | C14 | N15 | H9 | 115.7° | 114.4° |
C13 | C14 | N15 | H10 | 115.7° | 114.3° |
C13 | C14 | N15 | C17 | 176.6° | 137.6° |
C14 | C13 | C16 | N15 | 21.1° | 23.7° |
C14 | C13 | C12 | H6 | 79.4° | 65.0° |
C14 | C13 | C12 | H7 | 161.1° | 55.0° |
C13 | C14 | H9 | H10 | 131.2° | 131.6° |
C14 | C13 | C16 | H11 | 136.8° | 138.1° |
C14 | C13 | C16 | H12 | 94.5° | 90.7° |
C13 | C16 | N15 | C17 | 179.9° | 137.6° |
C13 | C16 | N15 | H11 | 115.7° | 114.3° |
C13 | C16 | N15 | H12 | 115.7° | 114.3° |
C16 | C13 | C12 | H6 | 19.4° | 31.7° |
C16 | C13 | C12 | H7 | 100.1° | 151.7° |
C16 | C13 | C14 | H9 | 94.6° | 90.6° |
C16 | C13 | C14 | H10 | 136.9° | 138.1° |
C13 | C16 | H11 | H12 | 131.4° | 131.6° |
C14 | N15 | C17 | C16 | 151.8° | 99.4° |
C14 | N15 | C17 | C22 | 179.2° | 120.0° |
C14 | N15 | C17 | C18 | 2.1° | 59.7° |
N15 | C14 | C13 | H8 | 133.7° | 138.1° |
N15 | C14 | H9 | H10 | 131.3° | 131.7° |
C14 | N15 | C16 | H11 | 138.1° | 139.0° |
C14 | N15 | C16 | H12 | 93.3° | 89.6° |
N15 | C17 | C22 | N23 | 0.6° | 0.3° |
N15 | C17 | C22 | C18 | 178.7° | 179.7° |
N15 | C17 | C22 | C21 | 178.6° | 179.8° |
N15 | C17 | C18 | C19 | 178.8° | 179.7° |
C17 | N15 | C14 | H9 | 67.7° | 23.3° |
C17 | N15 | C14 | H10 | 60.8° | 108.1° |
C17 | N15 | C16 | H11 | 64.2° | 108.1° |
C17 | N15 | C16 | H12 | 64.4° | 23.3° |
N15 | C17 | C18 | H13 | 1.2° | 0.3° |
C16 | N15 | C17 | C22 | 27.4° | 140.6° |
C16 | N15 | C17 | C18 | 153.9° | 39.7° |
N15 | C16 | C13 | H8 | 133.7° | 138.1° |
C16 | N15 | C14 | H9 | 93.3° | 89.6° |
C16 | N15 | C14 | H10 | 138.2° | 139.0° |
N15 | C16 | H11 | H12 | 131.4° | 131.8° |
N23 | C22 | C17 | C21 | 179.2° | 179.9° |
N23 | C22 | C17 | C18 | 179.3° | 180.0° |
N23 | C22 | C21 | C20 | 179.4° | 180.0° |
C22 | N23 | C24 | C25 | 174.3° | 174.2° |
N23 | C22 | C21 | H16 | 0.6° | 0.0° |
C22 | N23 | C24 | H17 | 53.5° | 65.8° |
C22 | N23 | C24 | H18 | 64.9° | 54.1° |
C22 | N23 | C28 | H24 | 47.6° | 54.1° |
C22 | N23 | C28 | H25 | 71.6° | 65.8° |
C24 | N23 | C22 | C17 | 117.8° | 115.8° |
C24 | N23 | C22 | C21 | 63.0° | 64.2° |
N23 | C24 | C25 | H17 | 120.7° | 120.0° |
N23 | C24 | C25 | H18 | 120.8° | 120.0° |
N23 | C24 | H17 | H18 | 117.7° | 120.0° |
N23 | C24 | C25 | H19 | 167.8° | 60.7° |
N23 | C24 | C25 | H20 | 72.7° | 179.2° |
C24 | N23 | C28 | H24 | 174.9° | 178.2° |
C24 | N23 | C28 | H25 | 65.9° | 58.3° |
C22 | C17 | C18 | C19 | 0.0° | 0.0° |
C17 | C22 | C21 | C20 | 0.2° | 0.1° |
C22 | C17 | C18 | H13 | 179.9° | 180.0° |
C17 | C22 | C21 | H16 | 179.8° | 179.9° |
C18 | C17 | C22 | C21 | 0.0° | 0.1° |
C17 | C18 | C19 | H13 | 180.0° | 179.9° |
C17 | C18 | C19 | C20 | 0.1° | 0.1° |
C17 | C18 | C19 | H14 | 179.9° | 180.0° |
C22 | C21 | C20 | H16 | 180.0° | 180.0° |
C22 | C21 | C20 | C19 | 0.3° | 0.0° |
C22 | C21 | C20 | H15 | 179.7° | 180.0° |
C18 | C19 | C20 | C21 | 0.2° | 0.1° |
C18 | C19 | C20 | H14 | 180.0° | 179.9° |
C18 | C19 | C20 | H15 | 179.8° | 179.9° |
C21 | C20 | C19 | H15 | 180.0° | 180.0° |
C21 | C20 | C19 | H14 | 179.8° | 179.9° |
C20 | C19 | C18 | H13 | 180.0° | 180.0° |
C19 | C20 | C21 | H16 | 179.7° | 180.0° |
C25 | C24 | H17 | H18 | 117.7° | 120.0° |
C24 | C25 | H19 | H20 | 119.2° | 120.1° |
C24 | C25 | C26 | H21 | 70.1° | 62.3° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H1 | C01 | C02 | H4 | 59.8° | 179.9° |
H1 | C01 | C02 | H5 | 59.8° | 60.0° |
H2 | C01 | C02 | H4 | 179.8° | 60.1° |
H2 | C01 | C02 | H5 | 60.2° | 60.0° |
H3 | C01 | C02 | H4 | 60.2° | 60.0° |
H3 | C01 | C02 | H5 | 179.8° | 180.0° |
H6 | C12 | C13 | H8 | 147.5° | 163.4° |
H7 | C12 | C13 | H8 | 28.1° | 76.6° |
H8 | C13 | C14 | H9 | 17.9° | 23.8° |
H8 | C13 | C14 | H10 | 110.6° | 107.5° |
H8 | C13 | C16 | H11 | 110.7° | 107.6° |
H8 | C13 | C16 | H12 | 18.0° | 23.6° |
H13 | C18 | C19 | H14 | 0.0° | 0.1° |
H14 | C19 | C20 | H15 | 0.2° | 0.1° |
H15 | C20 | C21 | H16 | 0.3° | 0.0° |
H17 | C24 | C25 | H19 | 71.4° | 179.3° |
H17 | C24 | C25 | H20 | 48.0° | 59.2° |
H18 | C24 | C25 | H19 | 47.1° | 59.3° |
H18 | C24 | C25 | H20 | 166.5° | 60.8° |
H19 | C25 | C26 | H21 | 50.2° | 177.8° |
H20 | C25 | C26 | H21 | 169.6° | 57.8° |
H21 | C26 | C27 | H22 | 55.1° | 177.8° |
H21 | C26 | C27 | H23 | 175.0° | 57.7° |
H22 | C27 | C28 | H24 | 61.4° | 59.3° |
H22 | C27 | C28 | H25 | 57.8° | 179.3° |
H23 | C27 | C28 | H24 | 58.6° | 60.9° |
H23 | C27 | C28 | H25 | 177.7° | 59.1° |