5B7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
C35 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
C36 | C37 | sing | 1.38Å | 1.42Å | Aromatic |
C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
C37 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
C42 | O41 | sing | 1.43Å | 1.43Å | |
O39 | C2 | sing | 1.36Å | 1.37Å | |
O39 | C40 | sing | 1.43Å | 1.41Å | |
C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
C38 | C32 | sing | 1.51Å | 1.55Å | |
O9 | S8 | doub | 1.42Å | 1.47Å | |
C2 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
C7 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
C5 | S8 | sing | 1.76Å | 1.77Å | |
C32 | C19 | sing | 1.53Å | 1.55Å | |
S8 | O10 | doub | 1.42Å | 1.49Å | |
S8 | N11 | sing | 1.66Å | 1.66Å | |
O41 | C30 | sing | 1.43Å | 1.45Å | |
C30 | C29 | sing | 1.54Å | 1.53Å | |
C30 | C31 | sing | 1.54Å | 1.55Å | |
C19 | N20 | sing | 1.47Å | 1.47Å | |
C19 | C17 | sing | 1.53Å | 1.53Å | |
C29 | O28 | sing | 1.44Å | 1.43Å | |
N11 | C16 | sing | 1.47Å | 1.46Å | |
N11 | C12 | sing | 1.46Å | 1.45Å | |
C16 | C17 | sing | 1.53Å | 1.53Å | |
O22 | C21 | doub | 1.21Å | 1.24Å | |
N20 | C21 | sing | 1.35Å | 1.33Å | |
C21 | O23 | sing | 1.35Å | 1.37Å | |
C31 | C24 | sing | 1.51Å | 1.53Å | |
C31 | C27 | sing | 1.54Å | 1.50Å | |
C17 | O18 | sing | 1.43Å | 1.44Å | |
O23 | C24 | sing | 1.45Å | 1.43Å | |
C24 | C25 | sing | 1.53Å | 1.53Å | |
O28 | C27 | sing | 1.45Å | 1.43Å | |
C12 | C13 | sing | 1.53Å | 1.54Å | |
C27 | O26 | sing | 1.43Å | 1.43Å | |
C14 | C13 | sing | 1.53Å | 1.53Å | |
C13 | C15 | sing | 1.53Å | 1.54Å | |
C25 | C44 | sing | 1.53Å | 1.52Å | |
O26 | C44 | sing | 1.42Å | 1.43Å | |
C3 | H1 | sing | 1.08Å | 1.08Å | |
C4 | H2 | sing | 1.08Å | 1.08Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H4 | sing | 1.08Å | 1.08Å | |
C12 | H5 | sing | 1.09Å | 1.10Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C13 | H7 | sing | 1.09Å | 1.10Å | |
C14 | H8 | sing | 1.09Å | 1.10Å | |
C14 | H9 | sing | 1.09Å | 1.10Å | |
C14 | H10 | sing | 1.09Å | 1.10Å | |
C15 | H11 | sing | 1.09Å | 1.10Å | |
C15 | H12 | sing | 1.09Å | 1.10Å | |
C15 | H13 | sing | 1.09Å | 1.10Å | |
C16 | H14 | sing | 1.09Å | 1.10Å | |
C16 | H15 | sing | 1.09Å | 1.10Å | |
C17 | H16 | sing | 1.09Å | 1.10Å | |
O18 | H17 | sing | 0.97Å | 0.95Å | |
C19 | H18 | sing | 1.09Å | 1.10Å | |
N20 | H19 | sing | 0.97Å | 1.00Å | |
C24 | H20 | sing | 1.09Å | 1.10Å | |
C25 | H21 | sing | 1.09Å | 1.10Å | |
C25 | H22 | sing | 1.09Å | 1.10Å | |
C27 | H23 | sing | 1.09Å | 1.10Å | |
C29 | H24 | sing | 1.09Å | 1.10Å | |
C29 | H25 | sing | 1.09Å | 1.10Å | |
C30 | H26 | sing | 1.09Å | 1.10Å | |
C31 | H27 | sing | 1.09Å | 1.10Å | |
C32 | H28 | sing | 1.09Å | 1.10Å | |
C32 | H29 | sing | 1.09Å | 1.10Å | |
C33 | H30 | sing | 1.08Å | 1.08Å | |
C34 | H31 | sing | 1.08Å | 1.08Å | |
C35 | H32 | sing | 1.08Å | 1.08Å | |
C36 | H33 | sing | 1.08Å | 1.08Å | |
C37 | H34 | sing | 1.08Å | 1.08Å | |
C40 | H35 | sing | 1.09Å | 1.10Å | |
C40 | H36 | sing | 1.09Å | 1.10Å | |
C40 | H37 | sing | 1.09Å | 1.10Å | |
C42 | H38 | sing | 1.09Å | 1.10Å | |
C42 | H39 | sing | 1.09Å | 1.10Å | |
C42 | H40 | sing | 1.09Å | 1.10Å | |
C44 | H41 | sing | 1.09Å | 1.10Å | |
C44 | H42 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C36 | C35 | C34 | 117.6° | 120.0° |
C35 | C36 | C37 | 121.0° | 120.0° |
C36 | C35 | H32 | 121.2° | 120.0° |
C35 | C36 | H33 | 119.5° | 120.0° |
C35 | C34 | C33 | 121.1° | 120.0° |
C35 | C34 | H31 | 119.5° | 120.0° |
C34 | C35 | H32 | 121.2° | 119.9° |
C36 | C37 | C38 | 119.9° | 120.0° |
C37 | C36 | H33 | 119.5° | 120.0° |
C36 | C37 | H34 | 120.1° | 120.0° |
C34 | C33 | C38 | 120.9° | 120.0° |
C34 | C33 | H30 | 119.5° | 120.0° |
C33 | C34 | H31 | 119.5° | 120.0° |
C37 | C38 | C33 | 119.0° | 120.0° |
C37 | C38 | C32 | 122.9° | 120.0° |
C38 | C37 | H34 | 120.0° | 120.0° |
C33 | C38 | C32 | 118.0° | 120.0° |
C38 | C33 | H30 | 119.6° | 120.0° |
C42 | O41 | C30 | 111.3° | 114.0° |
O41 | C42 | H38 | 109.5° | 109.5° |
O41 | C42 | H39 | 109.5° | 109.5° |
O41 | C42 | H40 | 109.5° | 109.5° |
C2 | O39 | C40 | 112.6° | 117.0° |
O39 | C2 | C3 | 116.3° | 120.1° |
O39 | C2 | C7 | 124.1° | 120.0° |
O39 | C40 | H35 | 109.5° | 109.4° |
O39 | C40 | H36 | 109.4° | 109.5° |
O39 | C40 | H37 | 109.5° | 109.4° |
C2 | C3 | C4 | 119.5° | 120.0° |
C3 | C2 | C7 | 119.7° | 119.9° |
C2 | C3 | H1 | 120.2° | 120.0° |
C3 | C4 | C5 | 120.7° | 120.0° |
C4 | C3 | H1 | 120.2° | 120.0° |
C3 | C4 | H2 | 119.7° | 120.0° |
C38 | C32 | C19 | 108.1° | 109.5° |
C38 | C32 | H28 | 109.8° | 109.5° |
C38 | C32 | H29 | 109.8° | 109.5° |
O9 | S8 | C5 | 107.3° | 106.4° |
O9 | S8 | O10 | 120.6° | 123.1° |
O9 | S8 | N11 | 107.6° | 106.4° |
C2 | C7 | C6 | 119.7° | 120.0° |
C2 | C7 | H4 | 120.2° | 120.1° |
C4 | C5 | C6 | 120.2° | 120.1° |
C4 | C5 | S8 | 119.9° | 119.9° |
C5 | C4 | H2 | 119.6° | 120.0° |
C7 | C6 | C5 | 120.1° | 120.0° |
C7 | C6 | H3 | 119.9° | 120.1° |
C6 | C7 | H4 | 120.1° | 120.0° |
C6 | C5 | S8 | 119.9° | 119.9° |
C5 | C6 | H3 | 119.9° | 119.9° |
C5 | S8 | O10 | 107.2° | 106.4° |
C5 | S8 | N11 | 108.0° | 107.2° |
C32 | C19 | N20 | 108.5° | 109.5° |
C32 | C19 | C17 | 112.8° | 109.5° |
C32 | C19 | H18 | 107.9° | 109.5° |
C19 | C32 | H28 | 109.8° | 109.5° |
C19 | C32 | H29 | 109.8° | 109.5° |
O10 | S8 | N11 | 105.6° | 106.4° |
S8 | N11 | C16 | 117.6° | 120.0° |
S8 | N11 | C12 | 116.7° | 120.0° |
O41 | C30 | C29 | 106.2° | 110.6° |
O41 | C30 | C31 | 107.8° | 110.6° |
O41 | C30 | H26 | 114.3° | 110.6° |
C29 | C30 | C31 | 102.4° | 103.6° |
C30 | C29 | O28 | 107.0° | 107.1° |
C30 | C29 | H24 | 110.1° | 109.9° |
C30 | C29 | H25 | 110.1° | 110.1° |
C29 | C30 | H26 | 112.8° | 110.7° |
C30 | C31 | C24 | 111.0° | 111.9° |
C30 | C31 | C27 | 100.9° | 102.6° |
C31 | C30 | H26 | 112.5° | 110.6° |
C30 | C31 | H27 | 109.5° | 109.8° |
N20 | C19 | C17 | 110.6° | 109.5° |
C19 | N20 | C21 | 125.9° | 120.0° |
N20 | C19 | H18 | 108.9° | 109.4° |
C19 | N20 | H19 | 117.0° | 120.0° |
C19 | C17 | C16 | 113.0° | 109.5° |
C19 | C17 | O18 | 108.7° | 109.5° |
C19 | C17 | H16 | 108.0° | 109.5° |
C17 | C19 | H18 | 108.1° | 109.5° |
C29 | O28 | C27 | 109.0° | 106.5° |
O28 | C29 | H24 | 110.1° | 109.9° |
O28 | C29 | H25 | 110.1° | 109.9° |
C16 | N11 | C12 | 114.6° | 120.0° |
N11 | C16 | C17 | 109.6° | 109.5° |
N11 | C16 | H14 | 109.5° | 109.5° |
N11 | C16 | H15 | 109.4° | 109.5° |
N11 | C12 | C13 | 114.5° | 109.5° |
N11 | C12 | H5 | 108.2° | 109.4° |
N11 | C12 | H6 | 108.2° | 109.4° |
C16 | C17 | O18 | 110.0° | 109.5° |
C17 | C16 | H14 | 109.4° | 109.4° |
C17 | C16 | H15 | 109.4° | 109.5° |
C16 | C17 | H16 | 107.9° | 109.4° |
O22 | C21 | N20 | 124.3° | 120.0° |
O22 | C21 | O23 | 122.7° | 120.0° |
N20 | C21 | O23 | 113.0° | 120.0° |
C21 | N20 | H19 | 117.1° | 120.1° |
C21 | O23 | C24 | 114.5° | 117.0° |
C24 | C31 | C27 | 115.1° | 112.5° |
C31 | C24 | O23 | 108.1° | 109.2° |
C31 | C24 | C25 | 109.2° | 110.8° |
C31 | C24 | H20 | 110.6° | 109.1° |
C24 | C31 | H27 | 109.8° | 109.9° |
C31 | C27 | O28 | 104.7° | 102.3° |
C31 | C27 | O26 | 117.6° | 110.6° |
C31 | C27 | H23 | 107.9° | 112.7° |
C27 | C31 | H27 | 110.2° | 109.9° |
O18 | C17 | H16 | 109.1° | 109.5° |
C17 | O18 | H17 | 109.5° | 114.0° |
O23 | C24 | C25 | 106.1° | 109.2° |
O23 | C24 | H20 | 112.1° | 109.3° |
C24 | C25 | C44 | 109.8° | 108.0° |
C25 | C24 | H20 | 110.6° | 109.2° |
C24 | C25 | H21 | 109.4° | 109.7° |
C24 | C25 | H22 | 109.4° | 109.8° |
O28 | C27 | O26 | 108.5° | 106.2° |
O28 | C27 | H23 | 108.9° | 112.3° |
C12 | C13 | C14 | 112.5° | 109.5° |
C12 | C13 | C15 | 109.9° | 109.4° |
C13 | C12 | H5 | 108.2° | 109.5° |
C13 | C12 | H6 | 108.2° | 109.5° |
C12 | C13 | H7 | 108.7° | 109.4° |
C27 | O26 | C44 | 113.3° | 115.9° |
O26 | C27 | H23 | 108.9° | 112.1° |
C14 | C13 | C15 | 108.3° | 109.5° |
C14 | C13 | H7 | 108.7° | 109.5° |
C13 | C14 | H8 | 109.5° | 109.4° |
C13 | C14 | H9 | 109.4° | 109.5° |
C13 | C14 | H10 | 109.5° | 109.5° |
C15 | C13 | H7 | 108.6° | 109.4° |
C13 | C15 | H11 | 109.5° | 109.5° |
C13 | C15 | H12 | 109.4° | 109.4° |
C13 | C15 | H13 | 109.5° | 109.4° |
C25 | C44 | O26 | 116.2° | 108.4° |
C44 | C25 | H21 | 109.4° | 109.7° |
C44 | C25 | H22 | 109.4° | 109.8° |
C25 | C44 | H41 | 107.8° | 109.6° |
C25 | C44 | H42 | 107.8° | 109.7° |
O26 | C44 | H41 | 107.8° | 109.6° |
O26 | C44 | H42 | 107.7° | 109.7° |
H5 | C12 | H6 | 109.5° | 109.5° |
H8 | C14 | H9 | 109.5° | 109.5° |
H8 | C14 | H10 | 109.5° | 109.5° |
H9 | C14 | H10 | 109.5° | 109.5° |
H11 | C15 | H12 | 109.5° | 109.5° |
H11 | C15 | H13 | 109.5° | 109.5° |
H12 | C15 | H13 | 109.5° | 109.5° |
H14 | C16 | H15 | 109.5° | 109.5° |
H21 | C25 | H22 | 109.5° | 109.8° |
H24 | C29 | H25 | 109.5° | 109.9° |
H28 | C32 | H29 | 109.5° | 109.5° |
H35 | C40 | H36 | 109.5° | 109.5° |
H35 | C40 | H37 | 109.4° | 109.4° |
H36 | C40 | H37 | 109.5° | 109.6° |
H38 | C42 | H39 | 109.5° | 109.5° |
H38 | C42 | H40 | 109.5° | 109.4° |
H39 | C42 | H40 | 109.5° | 109.5° |
H41 | C44 | H42 | 109.5° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C36 | C35 | C34 | H32 | 180.0° | 180.0° |
C35 | C36 | C37 | H33 | 180.0° | 180.0° |
C36 | C35 | C34 | C33 | 8.7° | 0.0° |
C35 | C36 | C37 | C38 | 3.5° | 0.0° |
C36 | C35 | C34 | H31 | 171.3° | 180.0° |
C35 | C36 | C37 | H34 | 176.5° | 180.0° |
C34 | C35 | C36 | C37 | 8.0° | 0.0° |
C35 | C34 | C33 | H31 | 180.0° | 180.0° |
C35 | C34 | C33 | C38 | 4.7° | 0.0° |
C35 | C34 | C33 | H30 | 175.3° | 179.8° |
C34 | C35 | C36 | H33 | 172.0° | 180.0° |
C36 | C37 | C38 | H34 | 180.0° | 180.0° |
C36 | C37 | C38 | C33 | 0.7° | 0.0° |
C36 | C37 | C38 | C32 | 177.9° | 179.7° |
C37 | C36 | C35 | H32 | 172.0° | 180.0° |
C34 | C33 | C38 | C37 | 0.1° | 0.1° |
C34 | C33 | C38 | H30 | 180.0° | 179.8° |
C34 | C33 | C38 | C32 | 178.6° | 179.7° |
C33 | C34 | C35 | H32 | 171.3° | 180.0° |
C37 | C38 | C33 | C32 | 178.7° | 179.7° |
C37 | C38 | C32 | C19 | 71.7° | 90.3° |
C37 | C38 | C32 | H28 | 48.0° | 149.7° |
C37 | C38 | C32 | H29 | 168.5° | 29.7° |
C37 | C38 | C33 | H30 | 179.9° | 179.8° |
C38 | C37 | C36 | H33 | 176.5° | 180.0° |
C33 | C38 | C32 | C19 | 106.9° | 90.0° |
C33 | C38 | C32 | H28 | 133.3° | 30.0° |
C33 | C38 | C32 | H29 | 12.9° | 150.0° |
C38 | C33 | C34 | H31 | 175.3° | 180.0° |
C33 | C38 | C37 | H34 | 179.3° | 180.0° |
C42 | O41 | C30 | C29 | 89.8° | 91.5° |
C42 | O41 | C30 | C31 | 161.1° | 154.3° |
C42 | O41 | C30 | H26 | 35.2° | 31.5° |
O41 | C42 | H38 | H39 | 120.0° | 120.1° |
O41 | C42 | H38 | H40 | 120.0° | 119.9° |
O41 | C42 | H39 | H40 | 120.0° | 120.0° |
O39 | C2 | C3 | C7 | 179.9° | 179.7° |
O39 | C2 | C3 | C4 | 179.9° | 179.7° |
O39 | C2 | C7 | C6 | 180.0° | 179.8° |
O39 | C2 | C3 | H1 | 0.1° | 0.4° |
O39 | C2 | C7 | H4 | 0.0° | 0.3° |
C2 | O39 | C40 | H35 | 180.0° | 60.1° |
C2 | O39 | C40 | H36 | 60.0° | 60.0° |
C2 | O39 | C40 | H37 | 60.0° | 180.0° |
C40 | O39 | C2 | C3 | 172.0° | 0.3° |
C40 | O39 | C2 | C7 | 8.1° | 180.0° |
O39 | C40 | H35 | H36 | 120.0° | 120.0° |
O39 | C40 | H35 | H37 | 120.0° | 119.9° |
O39 | C40 | H36 | H37 | 120.0° | 120.0° |
C2 | C3 | C4 | H1 | 180.0° | 179.9° |
C2 | C3 | C4 | C5 | 0.1° | 0.0° |
C3 | C2 | C7 | C6 | 0.1° | 0.1° |
C2 | C3 | C4 | H2 | 179.9° | 180.0° |
C3 | C2 | C7 | H4 | 179.9° | 180.0° |
C4 | C3 | C2 | C7 | 0.0° | 0.0° |
C3 | C4 | C5 | H2 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.2° | 0.0° |
C3 | C4 | C5 | S8 | 179.9° | 180.0° |
C38 | C32 | C19 | H28 | 119.8° | 120.0° |
C38 | C32 | C19 | H29 | 119.8° | 120.0° |
C38 | C32 | C19 | N20 | 61.1° | 65.0° |
C38 | C32 | C19 | C17 | 176.0° | 175.0° |
C38 | C32 | C19 | H18 | 56.7° | 55.0° |
C38 | C32 | H28 | H29 | 120.6° | 120.0° |
C32 | C38 | C33 | H30 | 1.4° | 0.1° |
C32 | C38 | C37 | H34 | 2.1° | 0.3° |
O9 | S8 | C5 | C4 | 32.7° | 156.4° |
O9 | S8 | C5 | C6 | 147.2° | 23.5° |
O9 | S8 | C5 | O10 | 130.8° | 132.9° |
O9 | S8 | C5 | N11 | 115.7° | 113.6° |
O9 | S8 | O10 | N11 | 122.0° | 123.0° |
O9 | S8 | N11 | C16 | 28.0° | 23.6° |
O9 | S8 | N11 | C12 | 170.2° | 156.4° |
C2 | C7 | C6 | H4 | 180.0° | 180.0° |
C2 | C7 | C6 | C5 | 0.1° | 0.1° |
C7 | C2 | C3 | H1 | 180.0° | 180.0° |
C2 | C7 | C6 | H3 | 180.0° | 180.0° |
C4 | C5 | C6 | C7 | 0.1° | 0.1° |
C4 | C5 | C6 | S8 | 179.9° | 179.9° |
C4 | C5 | S8 | O10 | 163.6° | 23.5° |
C4 | C5 | S8 | N11 | 83.0° | 90.0° |
C5 | C4 | C3 | H1 | 179.8° | 179.9° |
C4 | C5 | C6 | H3 | 179.9° | 180.0° |
C7 | C6 | C5 | H3 | 180.0° | 180.0° |
C7 | C6 | C5 | S8 | 180.0° | 180.0° |
C6 | C5 | S8 | O10 | 16.3° | 156.4° |
C6 | C5 | S8 | N11 | 97.1° | 90.1° |
C6 | C5 | C4 | H2 | 179.8° | 180.0° |
C5 | C6 | C7 | H4 | 180.0° | 180.0° |
C5 | S8 | O10 | N11 | 115.0° | 114.1° |
C5 | S8 | N11 | C16 | 87.5° | 90.0° |
C5 | S8 | N11 | C12 | 54.7° | 90.0° |
S8 | C5 | C4 | H2 | 0.1° | 0.0° |
S8 | C5 | C6 | H3 | 0.0° | 0.0° |
C32 | C19 | N20 | C17 | 124.2° | 120.0° |
C32 | C19 | N20 | H18 | 117.2° | 120.0° |
C32 | C19 | C17 | H18 | 119.2° | 120.0° |
C32 | C19 | C17 | C16 | 68.1° | 65.0° |
C32 | C19 | N20 | C21 | 116.9° | 85.0° |
C32 | C19 | C17 | O18 | 54.3° | 55.0° |
C32 | C19 | C17 | H16 | 172.6° | 175.0° |
C32 | C19 | N20 | H19 | 63.1° | 95.0° |
C19 | C32 | H28 | H29 | 120.6° | 120.0° |
O10 | S8 | N11 | C16 | 158.1° | 156.5° |
O10 | S8 | N11 | C12 | 59.8° | 23.5° |
S8 | N11 | C16 | C12 | 143.0° | 180.0° |
S8 | N11 | C16 | C17 | 116.0° | 94.1° |
S8 | N11 | C12 | C13 | 135.9° | 93.2° |
S8 | N11 | C12 | H5 | 15.2° | 146.8° |
S8 | N11 | C12 | H6 | 103.4° | 26.8° |
S8 | N11 | C16 | H14 | 124.0° | 146.0° |
S8 | N11 | C16 | H15 | 4.0° | 25.9° |
O41 | C30 | C29 | C31 | 113.0° | 118.5° |
O41 | C30 | C29 | H26 | 125.9° | 122.9° |
O41 | C30 | C31 | H26 | 126.9° | 122.9° |
O41 | C30 | C29 | O28 | 96.8° | 116.9° |
O41 | C30 | C31 | C24 | 159.4° | 97.9° |
O41 | C30 | C31 | C27 | 78.2° | 141.2° |
O41 | C30 | C29 | H24 | 143.6° | 2.5° |
O41 | C30 | C29 | H25 | 22.8° | 123.7° |
O41 | C30 | C31 | H27 | 37.9° | 24.4° |
C30 | O41 | C42 | H38 | 180.0° | 60.1° |
C30 | O41 | C42 | H39 | 60.0° | 60.0° |
C30 | O41 | C42 | H40 | 60.0° | 180.0° |
C29 | C30 | C31 | H26 | 121.3° | 118.6° |
C30 | C29 | O28 | H24 | 119.6° | 119.4° |
C30 | C29 | O28 | H25 | 119.6° | 119.5° |
C29 | C30 | C31 | C24 | 88.9° | 143.6° |
C29 | C30 | C31 | C27 | 33.6° | 22.7° |
C30 | C29 | O28 | C27 | 9.0° | 27.5° |
C30 | C29 | H24 | H25 | 121.1° | 121.3° |
C29 | C30 | C31 | H27 | 149.7° | 94.1° |
C31 | C30 | C29 | O28 | 16.2° | 1.6° |
C30 | C31 | C24 | C27 | 113.7° | 114.9° |
C30 | C31 | C24 | H27 | 121.3° | 122.2° |
C30 | C31 | C27 | H27 | 115.7° | 116.7° |
C30 | C31 | C24 | O23 | 44.9° | 55.6° |
C30 | C31 | C24 | C25 | 159.9° | 64.7° |
C30 | C31 | C27 | O28 | 40.1° | 39.4° |
C30 | C31 | C27 | O26 | 160.6° | 73.5° |
C30 | C31 | C24 | H20 | 78.2° | 175.0° |
C30 | C31 | C27 | H23 | 75.8° | 160.2° |
C31 | C30 | C29 | H24 | 103.4° | 121.0° |
C31 | C30 | C29 | H25 | 135.8° | 117.8° |
N20 | C19 | C17 | H18 | 119.1° | 120.0° |
N20 | C19 | C17 | C16 | 170.2° | 175.0° |
C19 | N20 | C21 | O22 | 11.5° | 0.0° |
C19 | N20 | C21 | H19 | 180.0° | 180.0° |
C19 | N20 | C21 | O23 | 167.2° | 180.0° |
N20 | C19 | C17 | O18 | 67.4° | 65.0° |
N20 | C19 | C17 | H16 | 50.9° | 55.0° |
N20 | C19 | C32 | H28 | 179.1° | 55.0° |
N20 | C19 | C32 | H29 | 58.7° | 175.0° |
C19 | C17 | C16 | N11 | 72.1° | 175.0° |
C19 | C17 | C16 | O18 | 121.7° | 120.0° |
C19 | C17 | C16 | H16 | 119.4° | 120.0° |
C17 | C19 | N20 | C21 | 118.9° | 155.0° |
C19 | C17 | O18 | H16 | 117.5° | 120.0° |
C19 | C17 | C16 | H14 | 167.9° | 65.0° |
C19 | C17 | C16 | H15 | 47.9° | 55.0° |
C19 | C17 | O18 | H17 | 180.0° | 60.1° |
C17 | C19 | N20 | H19 | 61.1° | 25.0° |
C17 | C19 | C32 | H28 | 56.2° | 65.0° |
C17 | C19 | C32 | H29 | 64.2° | 55.0° |
C29 | O28 | C27 | C31 | 31.6° | 41.9° |
C29 | O28 | C27 | O26 | 157.9° | 74.2° |
C29 | O28 | C27 | H23 | 83.7° | 163.0° |
O28 | C29 | H24 | H25 | 121.2° | 121.1° |
O28 | C29 | C30 | H26 | 137.3° | 120.2° |
N11 | C16 | C17 | H14 | 120.0° | 120.0° |
N11 | C16 | C17 | H15 | 120.0° | 120.0° |
N11 | C16 | C17 | O18 | 166.3° | 64.9° |
C16 | N11 | C12 | C13 | 80.8° | 86.8° |
C16 | N11 | C12 | H5 | 158.5° | 33.1° |
C16 | N11 | C12 | H6 | 40.0° | 153.2° |
N11 | C16 | H14 | H15 | 120.0° | 120.0° |
N11 | C16 | C17 | H16 | 47.3° | 55.0° |
C12 | N11 | C16 | C17 | 101.0° | 85.9° |
N11 | C12 | C13 | H5 | 120.7° | 119.9° |
N11 | C12 | C13 | H6 | 120.8° | 120.0° |
N11 | C12 | C13 | C14 | 60.2° | 63.1° |
N11 | C12 | C13 | C15 | 179.0° | 176.9° |
N11 | C12 | H5 | H6 | 117.7° | 120.0° |
N11 | C12 | C13 | H7 | 60.2° | 57.0° |
C12 | N11 | C16 | H14 | 19.0° | 34.0° |
C12 | N11 | C16 | H15 | 139.0° | 154.1° |
C16 | C17 | O18 | H16 | 118.2° | 120.0° |
C17 | C16 | H14 | H15 | 119.9° | 120.0° |
C16 | C17 | O18 | H17 | 55.8° | 60.0° |
C16 | C17 | C19 | H18 | 51.1° | 55.0° |
O22 | C21 | N20 | O23 | 178.6° | 180.0° |
O22 | C21 | O23 | C24 | 3.4° | 0.0° |
O22 | C21 | N20 | H19 | 168.6° | 180.0° |
N20 | C21 | O23 | C24 | 177.9° | 180.0° |
C21 | N20 | C19 | H18 | 0.3° | 35.0° |
C21 | O23 | C24 | C31 | 147.3° | 148.7° |
C21 | O23 | C24 | C25 | 95.7° | 90.0° |
O23 | C21 | N20 | H19 | 12.8° | 0.0° |
C21 | O23 | C24 | H20 | 25.2° | 29.4° |
C24 | C31 | C27 | H27 | 124.8° | 122.8° |
C31 | C24 | O23 | C25 | 117.0° | 121.3° |
C31 | C24 | O23 | H20 | 122.1° | 119.3° |
C31 | C24 | C25 | H20 | 121.9° | 120.2° |
C24 | C31 | C27 | O28 | 79.4° | 159.8° |
C24 | C31 | C27 | O26 | 41.1° | 47.0° |
C31 | C24 | C25 | C44 | 52.2° | 56.7° |
C31 | C24 | C25 | H21 | 67.8° | 176.3° |
C31 | C24 | C25 | H22 | 172.2° | 63.0° |
C24 | C31 | C27 | H23 | 164.7° | 79.3° |
C24 | C31 | C30 | H26 | 32.5° | 25.0° |
C27 | C31 | C24 | O23 | 68.9° | 170.5° |
C27 | C31 | C24 | C25 | 46.2° | 50.2° |
C31 | C27 | O28 | O26 | 126.4° | 116.1° |
C31 | C27 | O28 | H23 | 115.2° | 121.1° |
C31 | C27 | O26 | H23 | 123.1° | 126.7° |
C31 | C27 | O26 | C44 | 40.6° | 54.9° |
C27 | C31 | C24 | H20 | 168.1° | 70.1° |
C27 | C31 | C30 | H26 | 154.9° | 95.8° |
O18 | C17 | C16 | H14 | 46.2° | 55.0° |
O18 | C17 | C16 | H15 | 73.7° | 175.0° |
O18 | C17 | C19 | H18 | 173.5° | 175.0° |
O23 | C24 | C25 | H20 | 121.8° | 119.4° |
O23 | C24 | C25 | C44 | 64.1° | 177.0° |
O23 | C24 | C25 | H21 | 175.9° | 63.4° |
O23 | C24 | C25 | H22 | 56.0° | 57.3° |
O23 | C24 | C31 | H27 | 166.1° | 66.6° |
C24 | C25 | C44 | H21 | 120.0° | 119.6° |
C24 | C25 | C44 | H22 | 120.1° | 119.7° |
C24 | C25 | C44 | O26 | 56.5° | 61.2° |
C24 | C25 | H21 | H22 | 119.9° | 120.7° |
C25 | C24 | C31 | H27 | 78.8° | 173.1° |
C24 | C25 | C44 | H41 | 177.5° | 58.4° |
C24 | C25 | C44 | H42 | 64.5° | 179.1° |
O28 | C27 | O26 | H23 | 118.4° | 123.0° |
O28 | C27 | O26 | C44 | 77.9° | 165.2° |
C27 | O28 | C29 | H24 | 128.6° | 146.9° |
C27 | O28 | C29 | H25 | 110.6° | 92.0° |
O28 | C27 | C31 | H27 | 155.7° | 77.4° |
C12 | C13 | C14 | C15 | 121.7° | 120.0° |
C12 | C13 | C14 | H7 | 120.4° | 120.0° |
C12 | C13 | C15 | H7 | 118.8° | 119.9° |
C13 | C12 | H5 | H6 | 117.7° | 120.1° |
C12 | C13 | C14 | H8 | 180.0° | 52.8° |
C12 | C13 | C14 | H9 | 60.0° | 172.7° |
C12 | C13 | C14 | H10 | 60.0° | 67.3° |
C12 | C13 | C15 | H11 | 180.0° | 59.9° |
C12 | C13 | C15 | H12 | 60.0° | 180.0° |
C12 | C13 | C15 | H13 | 60.0° | 60.1° |
C27 | O26 | C44 | C25 | 49.3° | 62.9° |
O26 | C27 | C31 | H27 | 83.8° | 169.8° |
C27 | O26 | C44 | H41 | 170.2° | 56.8° |
C27 | O26 | C44 | H42 | 71.7° | 177.4° |
C14 | C13 | C15 | H7 | 117.9° | 120.0° |
C14 | C13 | C12 | H5 | 60.5° | 56.9° |
C14 | C13 | C12 | H6 | 179.0° | 177.0° |
C13 | C14 | H8 | H9 | 120.0° | 120.0° |
C13 | C14 | H8 | H10 | 120.0° | 120.0° |
C13 | C14 | H9 | H10 | 120.0° | 120.0° |
C14 | C13 | C15 | H11 | 56.7° | 180.0° |
C14 | C13 | C15 | H12 | 63.3° | 60.0° |
C14 | C13 | C15 | H13 | 176.7° | 60.0° |
C15 | C13 | C12 | H5 | 60.3° | 63.2° |
C15 | C13 | C12 | H6 | 58.2° | 56.9° |
C15 | C13 | C14 | H8 | 58.3° | 67.2° |
C15 | C13 | C14 | H9 | 178.3° | 52.7° |
C15 | C13 | C14 | H10 | 61.7° | 172.7° |
C13 | C15 | H11 | H12 | 120.0° | 120.0° |
C13 | C15 | H11 | H13 | 120.0° | 119.9° |
C13 | C15 | H12 | H13 | 120.0° | 119.9° |
C25 | C44 | O26 | H41 | 121.0° | 119.7° |
C25 | C44 | O26 | H42 | 121.0° | 119.7° |
C44 | C25 | C24 | H20 | 174.1° | 63.5° |
C44 | C25 | H21 | H22 | 119.8° | 120.7° |
C25 | C44 | H41 | H42 | 116.9° | 120.6° |
O26 | C44 | C25 | H21 | 63.5° | 179.2° |
O26 | C44 | C25 | H22 | 176.5° | 58.5° |
C44 | O26 | C27 | H23 | 163.7° | 71.8° |
O26 | C44 | H41 | H42 | 116.9° | 120.5° |
H1 | C3 | C4 | H2 | 0.1° | 0.1° |
H3 | C6 | C7 | H4 | 0.0° | 0.0° |
H5 | C12 | C13 | H7 | 179.0° | 176.9° |
H6 | C12 | C13 | H7 | 60.5° | 63.0° |
H7 | C13 | C14 | H8 | 59.6° | 172.8° |
H7 | C13 | C14 | H9 | 60.5° | 67.3° |
H7 | C13 | C14 | H10 | 179.6° | 52.7° |
H7 | C13 | C15 | H11 | 61.3° | 60.0° |
H7 | C13 | C15 | H12 | 178.8° | 60.1° |
H7 | C13 | C15 | H13 | 58.8° | 180.0° |
H8 | C14 | H9 | H10 | 120.0° | 120.0° |
H11 | C15 | H12 | H13 | 120.0° | 120.1° |
H14 | C16 | C17 | H16 | 72.7° | 175.0° |
H15 | C16 | C17 | H16 | 167.3° | 65.0° |
H16 | C17 | O18 | H17 | 62.4° | 180.0° |
H16 | C17 | C19 | H18 | 68.2° | 65.0° |
H18 | C19 | N20 | H19 | 179.7° | 145.0° |
H18 | C19 | C32 | H28 | 63.0° | 175.0° |
H18 | C19 | C32 | H29 | 176.5° | 65.0° |
H20 | C24 | C25 | H21 | 54.1° | 56.0° |
H20 | C24 | C25 | H22 | 65.8° | 176.8° |
H20 | C24 | C31 | H27 | 43.1° | 52.7° |
H21 | C25 | C44 | H41 | 57.4° | 61.2° |
H21 | C25 | C44 | H42 | 175.5° | 59.5° |
H22 | C25 | C44 | H41 | 62.5° | 178.1° |
H22 | C25 | C44 | H42 | 55.6° | 61.2° |
H23 | C27 | C31 | H27 | 39.8° | 43.5° |
H24 | C29 | C30 | H26 | 17.7° | 120.4° |
H25 | C29 | C30 | H26 | 103.1° | 0.8° |
H26 | C30 | C31 | H27 | 89.0° | 147.3° |
H30 | C33 | C34 | H31 | 4.7° | 0.2° |
H31 | C34 | C35 | H32 | 8.7° | 0.0° |
H32 | C35 | C36 | H33 | 8.0° | 0.0° |
H33 | C36 | C37 | H34 | 3.5° | 0.1° |
H35 | C40 | H36 | H37 | 120.0° | 120.0° |
H38 | C42 | H39 | H40 | 120.0° | 119.9° |