5WH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C41 | C42 | sing | 1.53Å | 1.48Å | |
C41 | C40 | sing | 1.53Å | 1.51Å | |
C42 | C40 | sing | 1.53Å | 1.51Å | |
O39 | C38 | doub | 1.21Å | 1.21Å | |
C40 | C38 | sing | 1.51Å | 1.52Å | |
C38 | N15 | sing | 1.35Å | 1.35Å | |
C02 | C03 | doub | 1.35Å | 1.37Å | Aromatic |
C02 | N01 | sing | 1.34Å | 1.34Å | Aromatic |
C03 | N06 | sing | 1.38Å | 1.39Å | Aromatic |
N15 | C12 | sing | 1.47Å | 1.47Å | |
N15 | C14 | sing | 1.47Å | 1.51Å | |
N01 | C04 | doub | 1.32Å | 1.33Å | Aromatic |
C12 | C10 | sing | 1.53Å | 1.54Å | |
C14 | C13 | sing | 1.53Å | 1.52Å | |
C14 | C37 | sing | 1.53Å | 1.52Å | |
C10 | C07 | sing | 1.51Å | 1.50Å | |
C10 | C16 | sing | 1.53Å | 1.53Å | |
N06 | C07 | sing | 1.35Å | 1.37Å | Aromatic |
N06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
C13 | C16 | sing | 1.53Å | 1.53Å | |
C04 | C05 | sing | 1.41Å | 1.44Å | Aromatic |
C04 | N11 | sing | 1.38Å | 1.36Å | |
C07 | N08 | doub | 1.31Å | 1.34Å | Aromatic |
C05 | C09 | doub | 1.39Å | 1.35Å | Aromatic |
N08 | C09 | sing | 1.34Å | 1.37Å | Aromatic |
C09 | C17 | sing | 1.48Å | 1.41Å | |
F23 | C18 | sing | 1.35Å | 1.36Å | |
C17 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
C17 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
C22 | C21 | doub | 1.37Å | 1.38Å | Aromatic |
C19 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
C21 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
C20 | C24 | sing | 1.47Å | 1.50Å | |
C24 | O25 | doub | 1.22Å | 1.23Å | |
C24 | N26 | sing | 1.35Å | 1.36Å | |
N26 | C27 | sing | 1.39Å | 1.40Å | |
C27 | N28 | doub | 1.32Å | 1.34Å | Aromatic |
C27 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
N28 | C29 | sing | 1.32Å | 1.34Å | Aromatic |
C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
C31 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
C31 | C33 | sing | 1.51Å | 1.50Å | |
F34 | C33 | sing | 1.40Å | 1.34Å | |
C33 | F35 | sing | 1.40Å | 1.33Å | |
C33 | F36 | sing | 1.40Å | 1.33Å | |
C02 | H1 | sing | 1.08Å | 1.08Å | |
C03 | H2 | sing | 1.08Å | 1.08Å | |
C10 | H3 | sing | 1.09Å | 1.10Å | |
N11 | H4 | sing | 0.97Å | 1.00Å | |
N11 | H5 | sing | 0.97Å | 1.00Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C12 | H7 | sing | 1.09Å | 1.10Å | |
C13 | H8 | sing | 1.09Å | 1.10Å | |
C13 | 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 | |
C19 | H13 | sing | 1.08Å | 1.08Å | |
C21 | H14 | sing | 1.08Å | 1.08Å | |
C22 | H15 | sing | 1.08Å | 1.08Å | |
N26 | H16 | sing | 0.97Å | 1.00Å | |
C29 | H17 | sing | 1.08Å | 1.08Å | |
C30 | H18 | sing | 1.08Å | 1.08Å | |
C32 | H19 | sing | 1.08Å | 1.08Å | |
C37 | H20 | sing | 1.09Å | 1.10Å | |
C37 | H21 | sing | 1.09Å | 1.10Å | |
C37 | H22 | sing | 1.09Å | 1.10Å | |
C40 | H23 | sing | 1.09Å | 1.10Å | |
C41 | H24 | sing | 1.09Å | 1.10Å | |
C41 | H25 | sing | 1.09Å | 1.10Å | |
C42 | H26 | sing | 1.09Å | 1.10Å | |
C42 | H27 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C42 | C41 | C40 | 60.7° | 60.0° |
C41 | C42 | C40 | 60.7° | 60.0° |
C42 | C41 | H24 | 119.9° | 117.5° |
C42 | C41 | H25 | 119.9° | 117.5° |
C41 | C42 | H26 | 119.9° | 117.5° |
C41 | C42 | H27 | 119.9° | 117.5° |
C41 | C40 | C42 | 58.6° | 60.0° |
C41 | C40 | C38 | 117.9° | 117.6° |
C41 | C40 | H23 | 117.6° | 117.5° |
C40 | C41 | H24 | 119.9° | 117.4° |
C40 | C41 | H25 | 119.9° | 117.5° |
C42 | C40 | C38 | 114.1° | 117.5° |
C42 | C40 | H23 | 117.6° | 117.5° |
C40 | C42 | H26 | 119.9° | 117.5° |
C40 | C42 | H27 | 119.9° | 117.5° |
O39 | C38 | C40 | 118.4° | 120.0° |
O39 | C38 | N15 | 120.8° | 120.0° |
C40 | C38 | N15 | 120.7° | 120.0° |
C38 | C40 | H23 | 117.5° | 115.5° |
C38 | N15 | C12 | 122.3° | 120.6° |
C38 | N15 | C14 | 126.1° | 120.6° |
C03 | C02 | N01 | 122.3° | 121.6° |
C02 | C03 | N06 | 117.6° | 119.8° |
C03 | C02 | H1 | 118.8° | 119.2° |
C02 | C03 | H2 | 121.2° | 120.1° |
C02 | N01 | C04 | 121.5° | 121.3° |
N01 | C02 | H1 | 118.8° | 119.2° |
C03 | N06 | C07 | 129.8° | 134.0° |
C03 | N06 | C05 | 121.6° | 118.7° |
N06 | C03 | H2 | 121.2° | 120.1° |
C12 | N15 | C14 | 111.3° | 118.8° |
N15 | C12 | C10 | 110.6° | 108.8° |
N15 | C12 | H6 | 109.2° | 109.6° |
N15 | C12 | H7 | 109.2° | 109.7° |
N15 | C14 | C13 | 108.8° | 108.8° |
N15 | C14 | C37 | 112.0° | 109.5° |
N15 | C14 | H10 | 107.5° | 109.7° |
N01 | C04 | C05 | 120.5° | 119.4° |
N01 | C04 | N11 | 116.4° | 120.3° |
C12 | C10 | C07 | 108.0° | 109.5° |
C12 | C10 | C16 | 110.4° | 109.3° |
C12 | C10 | H3 | 108.8° | 109.5° |
C10 | C12 | H6 | 109.2° | 109.6° |
C10 | C12 | H7 | 109.2° | 109.6° |
C13 | C14 | C37 | 113.5° | 109.6° |
C14 | C13 | C16 | 113.1° | 109.3° |
C14 | C13 | H8 | 108.5° | 109.5° |
C14 | C13 | H9 | 108.5° | 109.5° |
C13 | C14 | H10 | 107.4° | 109.6° |
C37 | C14 | H10 | 107.4° | 109.6° |
C14 | C37 | H20 | 109.5° | 109.5° |
C14 | C37 | H21 | 109.5° | 109.5° |
C14 | C37 | H22 | 109.5° | 109.5° |
C07 | C10 | C16 | 111.5° | 109.5° |
C10 | C07 | N06 | 124.6° | 125.2° |
C10 | C07 | N08 | 126.5° | 125.1° |
C07 | C10 | H3 | 109.3° | 109.5° |
C10 | C16 | C13 | 110.7° | 109.6° |
C16 | C10 | H3 | 108.8° | 109.5° |
C10 | C16 | H11 | 109.2° | 109.4° |
C10 | C16 | H12 | 109.2° | 109.5° |
C07 | N06 | C05 | 108.1° | 107.3° |
N06 | C07 | N08 | 108.8° | 109.8° |
N06 | C05 | C04 | 116.2° | 119.2° |
N06 | C05 | C09 | 105.3° | 106.2° |
C16 | C13 | H8 | 108.6° | 109.5° |
C16 | C13 | H9 | 108.6° | 109.5° |
C13 | C16 | H11 | 109.2° | 109.5° |
C13 | C16 | H12 | 109.1° | 109.5° |
C05 | C04 | N11 | 123.1° | 120.3° |
C04 | C05 | C09 | 138.4° | 134.6° |
C04 | N11 | H4 | 109.5° | 120.0° |
C04 | N11 | H5 | 109.4° | 120.0° |
C07 | N08 | C09 | 107.1° | 109.7° |
C05 | C09 | N08 | 110.5° | 107.0° |
C05 | C09 | C17 | 131.3° | 126.5° |
N08 | C09 | C17 | 118.1° | 126.4° |
C09 | C17 | C18 | 123.5° | 120.0° |
C09 | C17 | C22 | 119.7° | 120.0° |
F23 | C18 | C17 | 118.7° | 120.0° |
F23 | C18 | C19 | 117.5° | 120.1° |
C18 | C17 | C22 | 116.7° | 120.0° |
C17 | C18 | C19 | 123.7° | 119.8° |
C17 | C22 | C21 | 120.9° | 120.1° |
C17 | C22 | H15 | 119.6° | 119.9° |
C18 | C19 | C20 | 118.8° | 119.9° |
C18 | C19 | H13 | 120.6° | 120.0° |
C22 | C21 | C20 | 120.7° | 120.2° |
C22 | C21 | H14 | 119.7° | 119.9° |
C21 | C22 | H15 | 119.5° | 119.9° |
C19 | C20 | C21 | 119.0° | 120.0° |
C19 | C20 | C24 | 116.5° | 120.0° |
C20 | C19 | H13 | 120.6° | 120.1° |
C21 | C20 | C24 | 124.2° | 120.0° |
C20 | C21 | H14 | 119.6° | 119.9° |
C20 | C24 | O25 | 120.6° | 120.0° |
C20 | C24 | N26 | 116.4° | 120.0° |
O25 | C24 | N26 | 122.9° | 119.9° |
C24 | N26 | C27 | 128.4° | 120.0° |
C24 | N26 | H16 | 115.8° | 119.9° |
N26 | C27 | N28 | 111.7° | 119.7° |
N26 | C27 | C32 | 125.2° | 119.7° |
C27 | N26 | H16 | 115.8° | 120.0° |
N28 | C27 | C32 | 123.1° | 120.6° |
C27 | N28 | C29 | 117.4° | 121.7° |
C27 | C32 | C31 | 118.3° | 119.1° |
C27 | C32 | H19 | 120.9° | 120.4° |
N28 | C29 | C30 | 123.3° | 120.8° |
N28 | C29 | H17 | 118.3° | 119.6° |
C32 | C31 | C30 | 118.4° | 118.5° |
C32 | C31 | C33 | 120.3° | 120.7° |
C31 | C32 | H19 | 120.9° | 120.5° |
C29 | C30 | C31 | 119.5° | 119.3° |
C30 | C29 | H17 | 118.3° | 119.6° |
C29 | C30 | H18 | 120.3° | 120.3° |
C30 | C31 | C33 | 121.3° | 120.7° |
C31 | C30 | H18 | 120.2° | 120.4° |
C31 | C33 | F34 | 113.9° | 109.4° |
C31 | C33 | F35 | 112.7° | 109.4° |
C31 | C33 | F36 | 112.9° | 109.5° |
F34 | C33 | F35 | 105.8° | 109.5° |
F34 | C33 | F36 | 103.1° | 109.5° |
F35 | C33 | F36 | 107.6° | 109.5° |
H4 | N11 | H5 | 109.5° | 120.0° |
H6 | C12 | H7 | 109.5° | 109.6° |
H8 | C13 | H9 | 109.5° | 109.5° |
H11 | C16 | H12 | 109.5° | 109.4° |
H20 | C37 | H21 | 109.5° | 109.5° |
H20 | C37 | H22 | 109.4° | 109.4° |
H21 | C37 | H22 | 109.5° | 109.5° |
H24 | C41 | H25 | 109.5° | 115.6° |
H26 | C42 | H27 | 109.5° | 115.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C42 | C41 | C40 | H24 | 109.6° | 107.5° |
C42 | C41 | C40 | H25 | 109.7° | 107.5° |
C41 | C42 | C40 | H26 | 109.6° | 107.5° |
C41 | C42 | C40 | H27 | 109.6° | 107.5° |
C42 | C41 | C40 | C38 | 102.6° | 107.5° |
C42 | C41 | C40 | H23 | 107.1° | 107.5° |
C42 | C41 | H24 | H25 | 144.3° | 145.8° |
C41 | C42 | H26 | H27 | 144.3° | 145.7° |
C41 | C40 | C38 | O39 | 5.2° | 0.0° |
C41 | C40 | C38 | H23 | 150.3° | 145.7° |
C41 | C40 | C38 | N15 | 178.4° | 179.9° |
C40 | C41 | H24 | H25 | 144.4° | 145.6° |
C42 | C40 | C38 | O39 | 60.7° | 68.7° |
C42 | C40 | C38 | H23 | 143.8° | 145.7° |
C42 | C40 | C38 | N15 | 115.7° | 111.2° |
C40 | C42 | H26 | H27 | 144.4° | 145.7° |
O39 | C38 | C40 | N15 | 176.4° | 179.9° |
O39 | C38 | N15 | C12 | 7.8° | 180.0° |
O39 | C38 | N15 | C14 | 166.6° | 0.1° |
O39 | C38 | C40 | H23 | 155.5° | 145.6° |
C40 | C38 | N15 | C12 | 175.9° | 0.0° |
C40 | C38 | N15 | C14 | 9.7° | 180.0° |
C38 | C40 | C41 | H24 | 147.7° | 0.0° |
C38 | C40 | C41 | H25 | 7.0° | 145.0° |
C38 | C40 | C42 | H26 | 0.5° | 145.0° |
C38 | C40 | C42 | H27 | 141.2° | 0.0° |
C38 | N15 | C12 | C14 | 175.1° | 180.0° |
C38 | N15 | C12 | C10 | 113.6° | 126.4° |
C38 | N15 | C14 | C13 | 115.7° | 126.4° |
C38 | N15 | C14 | C37 | 118.0° | 113.9° |
C38 | N15 | C12 | H6 | 126.3° | 6.5° |
C38 | N15 | C12 | H7 | 6.6° | 113.8° |
C38 | N15 | C14 | H10 | 0.3° | 6.5° |
N15 | C38 | C40 | H23 | 28.1° | 34.5° |
C03 | C02 | N01 | H1 | 180.0° | 180.0° |
C02 | C03 | N06 | H2 | 180.0° | 179.9° |
C03 | C02 | N01 | C04 | 1.6° | 0.0° |
C02 | C03 | N06 | C07 | 176.1° | 180.0° |
C02 | C03 | N06 | C05 | 4.3° | 0.0° |
N01 | C02 | C03 | N06 | 0.6° | 0.0° |
C02 | N01 | C04 | C05 | 0.1° | 0.0° |
C02 | N01 | C04 | N11 | 179.6° | 180.0° |
N01 | C02 | C03 | H2 | 179.4° | 179.9° |
C03 | N06 | C07 | C10 | 5.6° | 0.0° |
C03 | N06 | C07 | C05 | 172.7° | 180.0° |
C03 | N06 | C05 | C04 | 5.5° | 0.0° |
C03 | N06 | C07 | N08 | 177.0° | 180.0° |
C03 | N06 | C05 | C09 | 177.8° | 180.0° |
N06 | C03 | C02 | H1 | 179.4° | 180.0° |
N15 | C12 | C10 | H6 | 120.2° | 119.8° |
N15 | C12 | C10 | H7 | 120.2° | 119.9° |
C12 | N15 | C14 | C13 | 59.3° | 53.6° |
C12 | N15 | C14 | C37 | 67.1° | 66.2° |
N15 | C12 | C10 | C07 | 179.8° | 174.6° |
N15 | C12 | C10 | C16 | 57.6° | 54.6° |
N15 | C12 | C10 | H3 | 61.7° | 65.4° |
N15 | C12 | H6 | H7 | 119.5° | 120.4° |
C12 | N15 | C14 | H10 | 175.2° | 173.5° |
C14 | N15 | C12 | C10 | 61.6° | 53.6° |
N15 | C14 | C13 | C37 | 125.4° | 119.7° |
N15 | C14 | C13 | H10 | 116.0° | 120.0° |
N15 | C14 | C37 | H10 | 117.8° | 120.4° |
N15 | C14 | C13 | C16 | 54.9° | 54.6° |
C14 | N15 | C12 | H6 | 58.6° | 173.4° |
C14 | N15 | C12 | H7 | 178.3° | 66.3° |
N15 | C14 | C13 | H8 | 65.6° | 65.3° |
N15 | C14 | C13 | H9 | 175.5° | 174.6° |
N15 | C14 | C37 | H20 | 180.0° | 179.2° |
N15 | C14 | C37 | H21 | 60.0° | 60.7° |
N15 | C14 | C37 | H22 | 60.0° | 59.3° |
N01 | C04 | C05 | N06 | 3.3° | 0.0° |
N01 | C04 | C05 | N11 | 179.7° | 180.0° |
N01 | C04 | C05 | C09 | 178.5° | 180.0° |
C04 | N01 | C02 | H1 | 178.4° | 180.0° |
N01 | C04 | N11 | H4 | 0.0° | 10.0° |
N01 | C04 | N11 | H5 | 120.0° | 170.0° |
C12 | C10 | C07 | C16 | 121.5° | 119.9° |
C12 | C10 | C07 | H3 | 118.2° | 120.1° |
C12 | C10 | C16 | H3 | 119.3° | 120.0° |
C12 | C10 | C07 | N06 | 87.3° | 120.1° |
C12 | C10 | C16 | C13 | 52.5° | 61.3° |
C12 | C10 | C07 | N08 | 89.6° | 59.9° |
C10 | C12 | H6 | H7 | 119.5° | 120.2° |
C12 | C10 | C16 | H11 | 67.7° | 58.7° |
C12 | C10 | C16 | H12 | 172.7° | 178.6° |
C13 | C14 | C37 | H10 | 118.5° | 120.3° |
C14 | C13 | C16 | C10 | 52.8° | 61.3° |
C14 | C13 | C16 | H8 | 120.5° | 119.9° |
C14 | C13 | C16 | H9 | 120.5° | 120.0° |
C14 | C13 | H8 | H9 | 118.3° | 120.1° |
C14 | C13 | C16 | H11 | 67.4° | 58.7° |
C14 | C13 | C16 | H12 | 172.9° | 178.6° |
C13 | C14 | C37 | H20 | 56.3° | 60.0° |
C13 | C14 | C37 | H21 | 176.3° | 180.0° |
C13 | C14 | C37 | H22 | 63.7° | 60.0° |
C37 | C14 | C13 | C16 | 70.5° | 65.2° |
C37 | C14 | C13 | H8 | 168.9° | 174.9° |
C37 | C14 | C13 | H9 | 50.0° | 54.8° |
C14 | C37 | H20 | H21 | 120.0° | 120.0° |
C14 | C37 | H20 | H22 | 120.0° | 120.0° |
C14 | C37 | H21 | H22 | 120.0° | 120.1° |
C07 | C10 | C16 | H3 | 120.6° | 120.0° |
C10 | C07 | N06 | N08 | 177.4° | 180.0° |
C10 | C07 | N06 | C05 | 178.3° | 180.0° |
C07 | C10 | C16 | C13 | 172.6° | 178.7° |
C10 | C07 | N08 | C09 | 179.8° | 180.0° |
C07 | C10 | C12 | H6 | 59.6° | 65.6° |
C07 | C10 | C12 | H7 | 60.0° | 54.7° |
C07 | C10 | C16 | H11 | 52.4° | 61.3° |
C07 | C10 | C16 | H12 | 67.2° | 58.6° |
C16 | C10 | C07 | N06 | 151.3° | 120.0° |
C10 | C16 | C13 | H11 | 120.2° | 120.0° |
C10 | C16 | C13 | H12 | 120.2° | 120.0° |
C16 | C10 | C07 | N08 | 31.8° | 60.0° |
C16 | C10 | C12 | H6 | 62.6° | 174.4° |
C16 | C10 | C12 | H7 | 177.8° | 65.3° |
C10 | C16 | C13 | H8 | 67.8° | 58.6° |
C10 | C16 | C13 | H9 | 173.3° | 178.7° |
C10 | C16 | H11 | H12 | 119.5° | 120.0° |
C07 | N06 | C05 | C04 | 178.9° | 180.0° |
C07 | N06 | C05 | C09 | 4.4° | 0.0° |
N06 | C07 | N08 | C09 | 2.5° | 0.0° |
C07 | N06 | C03 | H2 | 3.9° | 0.0° |
N06 | C07 | C10 | H3 | 30.9° | 0.0° |
N06 | C05 | C04 | C09 | 175.2° | 180.0° |
N06 | C05 | C04 | N11 | 177.0° | 180.0° |
C05 | N06 | C07 | N08 | 4.3° | 0.0° |
N06 | C05 | C09 | N08 | 2.9° | 0.0° |
N06 | C05 | C09 | C17 | 179.7° | 180.0° |
C05 | N06 | C03 | H2 | 175.7° | 179.9° |
C13 | C16 | C10 | H3 | 66.8° | 58.6° |
C16 | C13 | H8 | H9 | 118.4° | 120.1° |
C16 | C13 | C14 | H10 | 171.0° | 174.6° |
C13 | C16 | H11 | H12 | 119.4° | 120.0° |
C04 | C05 | C09 | N08 | 178.4° | 180.0° |
C04 | C05 | C09 | C17 | 4.8° | 0.0° |
C05 | C04 | N11 | H4 | 179.8° | 170.0° |
C05 | C04 | N11 | H5 | 59.8° | 10.0° |
N11 | C04 | C05 | C09 | 1.8° | 0.0° |
C04 | N11 | H4 | H5 | 120.0° | 180.0° |
C07 | N08 | C09 | C05 | 0.4° | 0.0° |
C07 | N08 | C09 | C17 | 177.6° | 179.9° |
N08 | C07 | C10 | H3 | 152.2° | 179.9° |
C05 | C09 | N08 | C17 | 177.3° | 179.9° |
C05 | C09 | C17 | C18 | 64.9° | 124.2° |
C05 | C09 | C17 | C22 | 119.2° | 56.0° |
N08 | C09 | C17 | C18 | 111.6° | 55.7° |
N08 | C09 | C17 | C22 | 64.2° | 124.0° |
C09 | C17 | C18 | F23 | 4.4° | 0.0° |
C09 | C17 | C18 | C22 | 175.9° | 179.7° |
C09 | C17 | C18 | C19 | 179.5° | 180.0° |
C09 | C17 | C22 | C21 | 177.6° | 179.7° |
C09 | C17 | C22 | H15 | 2.4° | 0.0° |
F23 | C18 | C17 | C19 | 176.1° | 179.9° |
F23 | C18 | C17 | C22 | 179.7° | 179.8° |
F23 | C18 | C19 | C20 | 177.9° | 179.9° |
F23 | C18 | C19 | H13 | 2.1° | 0.1° |
C18 | C17 | C22 | C21 | 1.5° | 0.6° |
C17 | C18 | C19 | C20 | 1.7° | 0.0° |
C17 | C18 | C19 | H13 | 178.3° | 180.0° |
C18 | C17 | C22 | H15 | 178.5° | 179.7° |
C22 | C17 | C18 | C19 | 3.5° | 0.3° |
C17 | C22 | C21 | H15 | 180.0° | 179.7° |
C17 | C22 | C21 | C20 | 2.4° | 0.6° |
C17 | C22 | C21 | H14 | 177.6° | 179.7° |
C18 | C19 | C20 | H13 | 180.0° | 180.0° |
C18 | C19 | C20 | C21 | 2.3° | 0.0° |
C18 | C19 | C20 | C24 | 175.4° | 180.0° |
C22 | C21 | C20 | C19 | 4.2° | 0.3° |
C22 | C21 | C20 | H14 | 180.0° | 179.7° |
C22 | C21 | C20 | C24 | 176.9° | 179.7° |
C19 | C20 | C21 | C24 | 172.6° | 180.0° |
C19 | C20 | C24 | O25 | 9.0° | 0.0° |
C19 | C20 | C24 | N26 | 173.4° | 180.0° |
C19 | C20 | C21 | H14 | 175.7° | 180.0° |
C21 | C20 | C24 | O25 | 163.8° | 180.0° |
C21 | C20 | C24 | N26 | 13.8° | 0.0° |
C21 | C20 | C19 | H13 | 177.8° | 180.0° |
C20 | C21 | C22 | H15 | 177.6° | 179.7° |
C20 | C24 | O25 | N26 | 177.4° | 180.0° |
C20 | C24 | N26 | C27 | 172.1° | 175.0° |
C24 | C20 | C19 | H13 | 4.6° | 0.0° |
C24 | C20 | C21 | H14 | 3.1° | 0.0° |
C20 | C24 | N26 | H16 | 7.9° | 5.0° |
O25 | C24 | N26 | C27 | 5.4° | 5.0° |
O25 | C24 | N26 | H16 | 174.6° | 175.0° |
C24 | N26 | C27 | H16 | 180.0° | 180.0° |
C24 | N26 | C27 | N28 | 166.6° | 4.9° |
C24 | N26 | C27 | C32 | 13.8° | 174.9° |
N26 | C27 | N28 | C32 | 179.7° | 179.7° |
N26 | C27 | N28 | C29 | 179.8° | 179.9° |
N26 | C27 | C32 | C31 | 179.8° | 179.7° |
N26 | C27 | C32 | H19 | 0.2° | 0.0° |
N28 | C27 | C32 | C31 | 0.2° | 0.5° |
C27 | N28 | C29 | C30 | 0.6° | 0.1° |
N28 | C27 | N26 | H16 | 13.4° | 175.1° |
C27 | N28 | C29 | H17 | 179.4° | 180.0° |
N28 | C27 | C32 | H19 | 179.8° | 179.7° |
C32 | C27 | N28 | C29 | 0.1° | 0.3° |
C27 | C32 | C31 | H19 | 180.0° | 179.7° |
C27 | C32 | C31 | C30 | 0.5° | 0.6° |
C27 | C32 | C31 | C33 | 179.2° | 179.8° |
C32 | C27 | N26 | H16 | 166.3° | 5.1° |
N28 | C29 | C30 | H17 | 180.0° | 179.9° |
N28 | C29 | C30 | C31 | 1.2° | 0.1° |
N28 | C29 | C30 | H18 | 178.8° | 180.0° |
C32 | C31 | C30 | C29 | 1.1° | 0.3° |
C32 | C31 | C30 | C33 | 178.7° | 179.7° |
C32 | C31 | C33 | F34 | 24.1° | 60.3° |
C32 | C31 | C33 | F35 | 96.5° | 179.7° |
C32 | C31 | C33 | F36 | 141.3° | 59.7° |
C32 | C31 | C30 | H18 | 178.9° | 179.7° |
C29 | C30 | C31 | H18 | 180.0° | 179.9° |
C29 | C30 | C31 | C33 | 179.8° | 180.0° |
C30 | C31 | C33 | F34 | 154.6° | 120.0° |
C30 | C31 | C33 | F35 | 84.8° | 0.0° |
C30 | C31 | C33 | F36 | 37.3° | 119.9° |
C31 | C30 | C29 | H17 | 178.8° | 180.0° |
C30 | C31 | C32 | H19 | 179.6° | 179.7° |
C31 | C33 | F34 | F35 | 124.4° | 120.0° |
C31 | C33 | F34 | F36 | 122.7° | 120.0° |
C31 | C33 | F35 | F36 | 125.1° | 120.0° |
C33 | C31 | C30 | H18 | 0.2° | 0.1° |
C33 | C31 | C32 | H19 | 0.8° | 0.1° |
F34 | C33 | F35 | F36 | 109.7° | 120.1° |
H1 | C02 | C03 | H2 | 0.6° | 0.1° |
H3 | C10 | C12 | H6 | 178.1° | 54.4° |
H3 | C10 | C12 | H7 | 58.5° | 174.7° |
H3 | C10 | C16 | H11 | 173.1° | 178.7° |
H3 | C10 | C16 | H12 | 53.4° | 61.4° |
H8 | C13 | C14 | H10 | 50.4° | 54.6° |
H8 | C13 | C16 | H11 | 172.1° | 178.6° |
H8 | C13 | C16 | H12 | 52.4° | 61.5° |
H9 | C13 | C14 | H10 | 68.5° | 65.4° |
H9 | C13 | C16 | H11 | 53.1° | 61.3° |
H9 | C13 | C16 | H12 | 66.5° | 58.6° |
H10 | C14 | C37 | H20 | 62.2° | 60.3° |
H10 | C14 | C37 | H21 | 57.8° | 59.7° |
H10 | C14 | C37 | H22 | 177.8° | 179.7° |
H14 | C21 | C22 | H15 | 2.4° | 0.0° |
H17 | C29 | C30 | H18 | 1.2° | 0.1° |
H20 | C37 | H21 | H22 | 120.0° | 119.9° |
H23 | C40 | C41 | H24 | 2.5° | 145.0° |
H23 | C40 | C41 | H25 | 143.2° | 0.0° |
H23 | C40 | C42 | H26 | 143.2° | 0.0° |
H23 | C40 | C42 | H27 | 2.5° | 145.0° |
H24 | C41 | C42 | H26 | 140.7° | 145.1° |
H24 | C41 | C42 | H27 | 0.0° | 0.1° |
H25 | C41 | C42 | H26 | 0.0° | 0.1° |
H25 | C41 | C42 | H27 | 140.7° | 145.0° |