1YS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F69 | C67 | sing | 1.40Å | 1.36Å | |
F68 | C67 | sing | 1.40Å | 1.36Å | |
C67 | F70 | sing | 1.40Å | 1.36Å | |
C67 | C5 | sing | 1.53Å | 1.55Å | |
O61 | C21 | sing | 1.43Å | 1.44Å | |
N33 | C35 | sing | 1.47Å | 1.49Å | |
N33 | C23 | sing | 1.47Å | 1.49Å | |
C21 | C23 | sing | 1.53Å | 1.56Å | |
C21 | C19 | sing | 1.53Å | 1.56Å | |
C5 | O7 | sing | 1.43Å | 1.45Å | |
C5 | C2 | sing | 1.53Å | 1.56Å | |
C16 | C19 | sing | 1.53Å | 1.57Å | |
C16 | C13 | sing | 1.51Å | 1.54Å | |
C35 | C38 | sing | 1.51Å | 1.54Å | |
F4 | C2 | sing | 1.40Å | 1.36Å | |
C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
C14 | C8 | sing | 1.39Å | 1.42Å | Aromatic |
C23 | C25 | sing | 1.53Å | 1.56Å | |
O7 | C8 | sing | 1.36Å | 1.40Å | |
C19 | C29 | sing | 1.53Å | 1.57Å | |
C25 | S28 | sing | 1.82Å | 1.79Å | |
C2 | F3 | sing | 1.40Å | 1.36Å | |
C2 | F1 | sing | 1.40Å | 1.36Å | |
C29 | S28 | sing | 1.82Å | 1.79Å | |
C13 | C11 | sing | 1.38Å | 1.42Å | Aromatic |
C8 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
C49 | C48 | sing | 1.53Å | 1.56Å | |
C39 | C38 | doub | 1.38Å | 1.42Å | Aromatic |
C39 | C41 | sing | 1.38Å | 1.43Å | Aromatic |
C38 | C46 | sing | 1.38Å | 1.42Å | Aromatic |
S28 | O32 | doub | 1.42Å | 1.51Å | |
C57 | C48 | sing | 1.53Å | 1.56Å | |
C11 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
C9 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
C9 | N64 | sing | 1.40Å | 1.36Å | |
C48 | C41 | sing | 1.51Å | 1.57Å | |
C48 | C53 | sing | 1.53Å | 1.57Å | |
C41 | C42 | doub | 1.38Å | 1.43Å | Aromatic |
C46 | C44 | doub | 1.38Å | 1.41Å | Aromatic |
C10 | F63 | sing | 1.35Å | 1.33Å | |
C42 | C44 | sing | 1.38Å | 1.41Å | Aromatic |
C5 | H1 | sing | 1.09Å | 1.10Å | |
C11 | H2 | sing | 1.08Å | 1.08Å | |
C14 | H3 | sing | 1.08Å | 1.08Å | |
C16 | H4 | sing | 1.09Å | 1.10Å | |
C16 | H5 | sing | 1.09Å | 1.10Å | |
C19 | H6 | sing | 1.09Å | 1.10Å | |
C21 | H7 | sing | 1.09Å | 1.10Å | |
C23 | H8 | sing | 1.09Å | 1.10Å | |
C25 | H9 | sing | 1.09Å | 1.10Å | |
C25 | H10 | sing | 1.09Å | 1.10Å | |
C29 | H11 | sing | 1.09Å | 1.10Å | |
C29 | H12 | sing | 1.09Å | 1.10Å | |
N33 | H14 | sing | 1.01Å | 1.00Å | |
C35 | H16 | sing | 1.09Å | 1.10Å | |
C35 | H17 | sing | 1.09Å | 1.10Å | |
C39 | H18 | sing | 1.08Å | 1.08Å | |
C42 | H19 | sing | 1.08Å | 1.08Å | |
C44 | H20 | sing | 1.08Å | 1.08Å | |
C46 | H21 | sing | 1.08Å | 1.08Å | |
C49 | H22 | sing | 1.09Å | 1.10Å | |
C49 | H23 | sing | 1.09Å | 1.10Å | |
C49 | H24 | sing | 1.09Å | 1.10Å | |
C53 | H25 | sing | 1.09Å | 1.10Å | |
C53 | H26 | sing | 1.09Å | 1.10Å | |
C53 | H27 | sing | 1.09Å | 1.10Å | |
C57 | H28 | sing | 1.09Å | 1.10Å | |
C57 | H29 | sing | 1.09Å | 1.10Å | |
C57 | H30 | sing | 1.09Å | 1.10Å | |
O61 | H31 | sing | 0.97Å | 0.95Å | |
N64 | H32 | sing | 0.97Å | 1.00Å | |
N64 | H33 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F69 | C67 | F68 | 107.6° | 109.5° |
F69 | C67 | F70 | 107.8° | 109.5° |
F69 | C67 | C5 | 109.6° | 109.5° |
F68 | C67 | F70 | 110.6° | 109.5° |
F68 | C67 | C5 | 112.1° | 109.5° |
F70 | C67 | C5 | 108.9° | 109.4° |
C67 | C5 | O7 | 107.6° | 109.5° |
C67 | C5 | C2 | 115.6° | 109.4° |
C67 | C5 | H1 | 107.8° | 109.5° |
O61 | C21 | C23 | 107.6° | 109.2° |
O61 | C21 | C19 | 110.4° | 109.3° |
O61 | C21 | H7 | 110.1° | 109.2° |
C21 | O61 | H31 | 109.5° | 114.0° |
C35 | N33 | C23 | 121.3° | 111.0° |
N33 | C35 | C38 | 109.1° | 109.5° |
C35 | N33 | H14 | 106.4° | 111.0° |
N33 | C35 | H16 | 109.6° | 109.5° |
N33 | C35 | H17 | 109.5° | 109.5° |
N33 | C23 | C21 | 110.8° | 109.4° |
N33 | C23 | C25 | 111.5° | 109.4° |
N33 | C23 | H8 | 107.0° | 109.3° |
C23 | N33 | H14 | 106.4° | 111.0° |
C23 | C21 | C19 | 111.7° | 110.7° |
C21 | C23 | C25 | 114.6° | 109.9° |
C23 | C21 | H7 | 108.5° | 109.2° |
C21 | C23 | H8 | 106.2° | 109.4° |
C21 | C19 | C16 | 113.2° | 109.4° |
C21 | C19 | C29 | 109.8° | 110.0° |
C21 | C19 | H6 | 106.3° | 109.3° |
C19 | C21 | H7 | 108.5° | 109.2° |
O7 | C5 | C2 | 108.7° | 109.5° |
C5 | O7 | C8 | 120.5° | 117.0° |
O7 | C5 | H1 | 109.2° | 109.5° |
C5 | C2 | F4 | 111.9° | 109.5° |
C5 | C2 | F3 | 111.0° | 109.4° |
C5 | C2 | F1 | 109.3° | 109.5° |
C2 | C5 | H1 | 107.8° | 109.5° |
C19 | C16 | C13 | 109.5° | 109.5° |
C16 | C19 | C29 | 114.5° | 109.4° |
C19 | C16 | H4 | 109.5° | 109.5° |
C19 | C16 | H5 | 109.5° | 109.5° |
C16 | C19 | H6 | 106.2° | 109.4° |
C16 | C13 | C14 | 118.4° | 119.9° |
C16 | C13 | C11 | 122.3° | 119.9° |
C13 | C16 | H4 | 109.4° | 109.4° |
C13 | C16 | H5 | 109.5° | 109.5° |
C35 | C38 | C39 | 119.9° | 120.0° |
C35 | C38 | C46 | 120.6° | 120.0° |
C38 | C35 | H16 | 109.6° | 109.4° |
C38 | C35 | H17 | 109.6° | 109.5° |
F4 | C2 | F3 | 109.3° | 109.4° |
F4 | C2 | F1 | 106.8° | 109.5° |
C13 | C14 | C8 | 120.6° | 120.1° |
C14 | C13 | C11 | 119.2° | 120.2° |
C13 | C14 | H3 | 119.7° | 120.0° |
C14 | C8 | O7 | 121.3° | 120.1° |
C14 | C8 | C9 | 120.2° | 119.8° |
C8 | C14 | H3 | 119.7° | 119.9° |
C23 | C25 | S28 | 113.3° | 108.8° |
C25 | C23 | H8 | 106.2° | 109.4° |
C23 | C25 | H9 | 108.5° | 109.6° |
C23 | C25 | H10 | 108.5° | 109.6° |
O7 | C8 | C9 | 118.6° | 120.1° |
C19 | C29 | S28 | 112.3° | 108.9° |
C29 | C19 | H6 | 106.2° | 109.4° |
C19 | C29 | H11 | 108.8° | 109.6° |
C19 | C29 | H12 | 108.8° | 109.6° |
C25 | S28 | C29 | 98.8° | 102.2° |
C25 | S28 | O32 | 109.5° | 109.5° |
S28 | C25 | H9 | 108.5° | 109.6° |
S28 | C25 | H10 | 108.5° | 109.6° |
F3 | C2 | F1 | 108.3° | 109.5° |
C29 | S28 | O32 | 105.7° | 109.4° |
S28 | C29 | H11 | 108.7° | 109.6° |
S28 | C29 | H12 | 108.8° | 109.6° |
C13 | C11 | C10 | 120.2° | 120.1° |
C13 | C11 | H2 | 119.9° | 119.9° |
C8 | C9 | C10 | 119.4° | 119.8° |
C8 | C9 | N64 | 120.2° | 120.1° |
C49 | C48 | C57 | 108.9° | 109.5° |
C49 | C48 | C41 | 111.4° | 109.5° |
C49 | C48 | C53 | 105.5° | 109.4° |
C48 | C49 | H22 | 109.5° | 109.4° |
C48 | C49 | H23 | 109.5° | 109.5° |
C48 | C49 | H24 | 109.5° | 109.5° |
C38 | C39 | C41 | 122.5° | 120.0° |
C39 | C38 | C46 | 119.5° | 120.0° |
C38 | C39 | H18 | 118.8° | 120.0° |
C39 | C41 | C48 | 119.9° | 120.0° |
C39 | C41 | C42 | 116.2° | 120.0° |
C41 | C39 | H18 | 118.7° | 120.0° |
C38 | C46 | C44 | 119.7° | 120.0° |
C38 | C46 | H21 | 120.2° | 120.0° |
C57 | C48 | C41 | 109.4° | 109.5° |
C57 | C48 | C53 | 105.7° | 109.5° |
C48 | C57 | H28 | 109.5° | 109.5° |
C48 | C57 | H29 | 109.4° | 109.5° |
C48 | C57 | H30 | 109.5° | 109.4° |
C11 | C10 | C9 | 120.3° | 120.0° |
C11 | C10 | F63 | 120.0° | 120.0° |
C10 | C11 | H2 | 119.9° | 120.0° |
C10 | C9 | N64 | 120.4° | 120.1° |
C9 | C10 | F63 | 119.7° | 120.0° |
C9 | N64 | H32 | 109.5° | 120.0° |
C9 | N64 | H33 | 109.5° | 120.1° |
C41 | C48 | C53 | 115.6° | 109.5° |
C48 | C41 | C42 | 123.9° | 120.0° |
C48 | C53 | H25 | 109.5° | 109.5° |
C48 | C53 | H26 | 109.5° | 109.5° |
C48 | C53 | H27 | 109.5° | 109.5° |
C41 | C42 | C44 | 122.2° | 120.0° |
C41 | C42 | H19 | 118.9° | 120.0° |
C46 | C44 | C42 | 119.9° | 120.0° |
C46 | C44 | H20 | 120.1° | 120.0° |
C44 | C46 | H21 | 120.1° | 120.0° |
C44 | C42 | H19 | 118.9° | 120.0° |
C42 | C44 | H20 | 120.1° | 120.0° |
H4 | C16 | H5 | 109.5° | 109.5° |
H9 | C25 | H10 | 109.4° | 109.7° |
H11 | C29 | H12 | 109.5° | 109.6° |
H16 | C35 | H17 | 109.5° | 109.5° |
H22 | C49 | H23 | 109.4° | 109.5° |
H22 | C49 | H24 | 109.5° | 109.4° |
H23 | C49 | H24 | 109.5° | 109.5° |
H25 | C53 | H26 | 109.5° | 109.5° |
H25 | C53 | H27 | 109.4° | 109.4° |
H26 | C53 | H27 | 109.5° | 109.5° |
H28 | C57 | H29 | 109.5° | 109.5° |
H28 | C57 | H30 | 109.5° | 109.5° |
H29 | C57 | H30 | 109.5° | 109.5° |
H32 | N64 | H33 | 109.5° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F69 | C67 | F68 | F70 | 117.5° | 120.0° |
F69 | C67 | F68 | C5 | 120.7° | 120.0° |
F69 | C67 | F70 | C5 | 118.9° | 120.0° |
F69 | C67 | C5 | O7 | 69.1° | 60.0° |
F69 | C67 | C5 | C2 | 169.3° | 180.0° |
F69 | C67 | C5 | H1 | 48.6° | 60.0° |
F68 | C67 | F70 | C5 | 123.7° | 120.0° |
F68 | C67 | C5 | O7 | 171.4° | 180.0° |
F68 | C67 | C5 | C2 | 49.8° | 59.9° |
F68 | C67 | C5 | H1 | 70.9° | 60.0° |
F70 | C67 | C5 | O7 | 48.6° | 60.0° |
F70 | C67 | C5 | C2 | 73.0° | 60.0° |
F70 | C67 | C5 | H1 | 166.3° | 180.0° |
C67 | C5 | O7 | C2 | 125.8° | 120.0° |
C67 | C5 | O7 | H1 | 116.7° | 120.0° |
C67 | C5 | C2 | H1 | 120.7° | 120.0° |
C67 | C5 | C2 | F4 | 59.8° | 60.1° |
C67 | C5 | O7 | C8 | 131.8° | 148.2° |
C67 | C5 | C2 | F3 | 62.7° | 180.0° |
C67 | C5 | C2 | F1 | 177.9° | 60.0° |
O61 | C21 | C23 | N33 | 54.6° | 48.9° |
O61 | C21 | C23 | C19 | 121.4° | 120.4° |
O61 | C21 | C23 | H7 | 119.1° | 119.4° |
O61 | C21 | C19 | H7 | 120.7° | 119.4° |
O61 | C21 | C19 | C16 | 50.5° | 48.9° |
O61 | C21 | C23 | C25 | 178.1° | 169.0° |
O61 | C21 | C19 | C29 | 179.9° | 169.1° |
O61 | C21 | C19 | H6 | 65.7° | 70.8° |
O61 | C21 | C23 | H8 | 61.2° | 70.9° |
C35 | N33 | C23 | H14 | 121.6° | 123.9° |
C35 | N33 | C23 | C21 | 167.1° | 155.0° |
N33 | C35 | C38 | H16 | 120.0° | 120.0° |
N33 | C35 | C38 | H17 | 119.9° | 120.0° |
C35 | N33 | C23 | C25 | 64.0° | 84.5° |
N33 | C35 | C38 | C39 | 67.7° | 89.7° |
N33 | C35 | C38 | C46 | 112.2° | 90.0° |
C35 | N33 | C23 | H8 | 51.7° | 35.2° |
N33 | C35 | H16 | H17 | 120.1° | 120.0° |
N33 | C23 | C21 | C25 | 127.3° | 120.1° |
N33 | C23 | C21 | H8 | 115.8° | 119.7° |
N33 | C23 | C21 | C19 | 176.0° | 169.2° |
C23 | N33 | C35 | C38 | 56.1° | 180.0° |
N33 | C23 | C25 | H8 | 116.2° | 119.7° |
N33 | C23 | C25 | S28 | 177.0° | 176.8° |
N33 | C23 | C21 | H7 | 64.4° | 70.5° |
N33 | C23 | C25 | H9 | 56.4° | 57.0° |
N33 | C23 | C25 | H10 | 62.4° | 63.3° |
C23 | N33 | C35 | H16 | 176.0° | 60.0° |
C23 | N33 | C35 | H17 | 63.9° | 60.0° |
C23 | C21 | C19 | H7 | 119.6° | 120.3° |
C23 | C21 | C19 | C16 | 170.2° | 169.2° |
C21 | C23 | C25 | H8 | 116.9° | 120.2° |
C23 | C21 | C19 | C29 | 60.5° | 70.6° |
C21 | C23 | C25 | S28 | 56.2° | 63.0° |
C23 | C21 | C19 | H6 | 54.0° | 49.5° |
C21 | C23 | C25 | H9 | 176.8° | 177.2° |
C21 | C23 | C25 | H10 | 64.4° | 56.8° |
C21 | C23 | N33 | H14 | 71.3° | 81.1° |
C23 | C21 | O61 | H31 | 180.0° | 60.0° |
C21 | C19 | C16 | C29 | 126.9° | 120.6° |
C21 | C19 | C16 | H6 | 116.2° | 119.7° |
C21 | C19 | C16 | C13 | 174.9° | 174.5° |
C19 | C21 | C23 | C25 | 56.7° | 70.7° |
C21 | C19 | C29 | H6 | 114.5° | 120.1° |
C21 | C19 | C29 | S28 | 65.9° | 63.0° |
C21 | C19 | C16 | H4 | 54.9° | 54.5° |
C21 | C19 | C16 | H5 | 65.1° | 65.5° |
C19 | C21 | C23 | H8 | 60.2° | 49.5° |
C21 | C19 | C29 | H11 | 54.4° | 56.8° |
C21 | C19 | C29 | H12 | 173.6° | 177.1° |
C19 | C21 | O61 | H31 | 57.8° | 178.7° |
O7 | C5 | C2 | H1 | 118.3° | 120.0° |
O7 | C5 | C2 | F4 | 179.2° | 59.9° |
C5 | O7 | C8 | C14 | 46.2° | 5.6° |
O7 | C5 | C2 | F3 | 58.4° | 60.0° |
O7 | C5 | C2 | F1 | 61.1° | 180.0° |
C5 | O7 | C8 | C9 | 133.2° | 174.2° |
C5 | C2 | F4 | F3 | 123.4° | 119.9° |
C5 | C2 | F4 | F1 | 119.6° | 120.1° |
C2 | C5 | O7 | C8 | 102.3° | 91.8° |
C5 | C2 | F3 | F1 | 120.1° | 120.0° |
C19 | C16 | C13 | H4 | 120.0° | 120.0° |
C19 | C16 | C13 | H5 | 120.0° | 120.0° |
C19 | C16 | C13 | C14 | 104.9° | 89.7° |
C16 | C19 | C29 | H6 | 116.8° | 119.8° |
C16 | C19 | C29 | S28 | 165.4° | 176.8° |
C19 | C16 | C13 | C11 | 74.3° | 90.0° |
C19 | C16 | H4 | H5 | 120.0° | 120.0° |
C16 | C19 | C21 | H7 | 70.3° | 70.6° |
C16 | C19 | C29 | H11 | 74.2° | 63.4° |
C16 | C19 | C29 | H12 | 45.0° | 57.0° |
C16 | C13 | C14 | C11 | 179.2° | 179.7° |
C16 | C13 | C14 | C8 | 178.7° | 179.7° |
C13 | C16 | C19 | C29 | 47.9° | 65.0° |
C16 | C13 | C11 | C10 | 178.9° | 180.0° |
C16 | C13 | C11 | H2 | 1.0° | 0.1° |
C16 | C13 | C14 | H3 | 1.3° | 0.3° |
C13 | C16 | H4 | H5 | 120.0° | 120.0° |
C13 | C16 | C19 | H6 | 68.9° | 54.8° |
C35 | C38 | C39 | C46 | 179.9° | 179.7° |
C35 | C38 | C39 | C41 | 179.7° | 180.0° |
C35 | C38 | C46 | C44 | 179.7° | 179.8° |
C38 | C35 | N33 | H14 | 177.7° | 56.1° |
C38 | C35 | H16 | H17 | 120.2° | 120.0° |
C35 | C38 | C39 | H18 | 0.3° | 0.0° |
C35 | C38 | C46 | H21 | 0.2° | 0.1° |
F4 | C2 | F3 | F1 | 116.0° | 120.0° |
F4 | C2 | C5 | H1 | 60.9° | 179.9° |
C13 | C14 | C8 | H3 | 180.0° | 179.4° |
C13 | C14 | C8 | O7 | 178.8° | 179.7° |
C13 | C14 | C8 | C9 | 0.6° | 0.5° |
C14 | C13 | C11 | C10 | 0.2° | 0.3° |
C14 | C13 | C11 | H2 | 179.8° | 179.7° |
C14 | C13 | C16 | H4 | 15.1° | 30.3° |
C14 | C13 | C16 | H5 | 135.1° | 150.2° |
C14 | C8 | O7 | C9 | 179.4° | 179.8° |
C8 | C14 | C13 | C11 | 0.5° | 0.6° |
C14 | C8 | C9 | C10 | 0.5° | 0.3° |
C14 | C8 | C9 | N64 | 179.7° | 179.8° |
C23 | C25 | S28 | H9 | 120.6° | 119.8° |
C23 | C25 | S28 | H10 | 120.6° | 119.8° |
C23 | C25 | S28 | C29 | 52.7° | 53.3° |
C23 | C25 | S28 | O32 | 57.6° | 62.7° |
C25 | C23 | C21 | H7 | 62.8° | 49.6° |
C23 | C25 | H9 | H10 | 118.2° | 120.3° |
C25 | C23 | N33 | H14 | 57.6° | 39.4° |
O7 | C8 | C9 | C10 | 178.9° | 180.0° |
O7 | C8 | C9 | N64 | 0.9° | 0.0° |
C8 | O7 | C5 | H1 | 15.1° | 28.2° |
O7 | C8 | C14 | H3 | 1.2° | 0.2° |
C19 | C29 | S28 | C25 | 58.4° | 53.2° |
C19 | C29 | S28 | H11 | 120.4° | 119.8° |
C19 | C29 | S28 | H12 | 120.4° | 119.9° |
C19 | C29 | S28 | O32 | 54.8° | 62.8° |
C29 | C19 | C16 | H4 | 72.0° | 175.0° |
C29 | C19 | C16 | H5 | 168.0° | 55.0° |
C29 | C19 | C21 | H7 | 59.1° | 49.7° |
C19 | C29 | H11 | H12 | 118.7° | 120.3° |
C25 | S28 | C29 | O32 | 113.3° | 116.0° |
S28 | C25 | C23 | H8 | 60.7° | 57.1° |
S28 | C25 | H9 | H10 | 118.2° | 120.3° |
C25 | S28 | C29 | H11 | 62.0° | 66.5° |
C25 | S28 | C29 | H12 | 178.9° | 173.1° |
F3 | C2 | C5 | H1 | 176.6° | 60.0° |
F1 | C2 | C5 | H1 | 57.2° | 60.0° |
S28 | C29 | C19 | H6 | 48.6° | 57.1° |
C29 | S28 | C25 | H9 | 173.3° | 173.1° |
C29 | S28 | C25 | H10 | 67.9° | 66.6° |
S28 | C29 | H11 | H12 | 118.7° | 120.3° |
C13 | C11 | C10 | H2 | 180.0° | 180.0° |
C13 | C11 | C10 | C9 | 0.1° | 0.0° |
C13 | C11 | C10 | F63 | 179.5° | 179.9° |
C11 | C13 | C14 | H3 | 179.5° | 180.0° |
C11 | C13 | C16 | H4 | 165.7° | 150.0° |
C11 | C13 | C16 | H5 | 45.7° | 30.0° |
C8 | C9 | C10 | C11 | 0.3° | 0.0° |
C8 | C9 | C10 | N64 | 179.8° | 180.0° |
C8 | C9 | C10 | F63 | 179.3° | 180.0° |
C9 | C8 | C14 | H3 | 179.4° | 180.0° |
C8 | C9 | N64 | H32 | 180.0° | 0.0° |
C8 | C9 | N64 | H33 | 60.0° | 180.0° |
C49 | C48 | C41 | C39 | 49.5° | 60.0° |
C49 | C48 | C57 | C41 | 122.0° | 120.0° |
C49 | C48 | C57 | C53 | 113.0° | 119.9° |
C49 | C48 | C41 | C53 | 120.4° | 120.0° |
C49 | C48 | C41 | C42 | 130.5° | 120.0° |
C48 | C49 | H22 | H23 | 120.0° | 120.1° |
C48 | C49 | H22 | H24 | 120.0° | 120.0° |
C48 | C49 | H23 | H24 | 120.0° | 120.0° |
C49 | C48 | C53 | H25 | 180.0° | 180.0° |
C49 | C48 | C53 | H26 | 60.0° | 60.0° |
C49 | C48 | C53 | H27 | 60.0° | 60.1° |
C49 | C48 | C57 | H28 | 180.0° | 60.1° |
C49 | C48 | C57 | H29 | 60.0° | 60.0° |
C49 | C48 | C57 | H30 | 60.0° | 180.0° |
C38 | C39 | C41 | H18 | 180.0° | 180.0° |
C38 | C39 | C41 | C48 | 179.8° | 179.9° |
C38 | C39 | C41 | C42 | 0.2° | 0.0° |
C39 | C38 | C46 | C44 | 0.1° | 0.6° |
C39 | C38 | C35 | H16 | 52.3° | 150.3° |
C39 | C38 | C35 | H17 | 172.4° | 30.3° |
C39 | C38 | C46 | H21 | 179.9° | 179.8° |
C41 | C39 | C38 | C46 | 0.2° | 0.3° |
C39 | C41 | C48 | C57 | 70.9° | 180.0° |
C39 | C41 | C48 | C42 | 180.0° | 180.0° |
C39 | C41 | C48 | C53 | 170.0° | 60.0° |
C39 | C41 | C42 | C44 | 0.1° | 0.0° |
C39 | C41 | C42 | H19 | 179.9° | 179.9° |
C38 | C46 | C44 | H21 | 180.0° | 179.7° |
C38 | C46 | C44 | C42 | 0.1° | 0.5° |
C46 | C38 | C35 | H16 | 127.8° | 30.1° |
C46 | C38 | C35 | H17 | 7.7° | 150.0° |
C46 | C38 | C39 | H18 | 179.8° | 179.7° |
C38 | C46 | C44 | H20 | 180.0° | 179.7° |
O32 | S28 | C25 | H9 | 63.1° | 57.1° |
O32 | S28 | C25 | H10 | 178.1° | 177.5° |
O32 | S28 | C29 | H11 | 175.2° | 177.4° |
O32 | S28 | C29 | H12 | 65.6° | 57.1° |
C57 | C48 | C41 | C53 | 119.1° | 120.0° |
C57 | C48 | C41 | C42 | 109.0° | 0.0° |
C57 | C48 | C49 | H22 | 180.0° | 180.0° |
C57 | C48 | C49 | H23 | 60.0° | 60.0° |
C57 | C48 | C49 | H24 | 60.0° | 60.1° |
C57 | C48 | C53 | H25 | 64.7° | 60.1° |
C57 | C48 | C53 | H26 | 55.3° | 60.0° |
C57 | C48 | C53 | H27 | 175.3° | 180.0° |
C48 | C57 | H28 | H29 | 120.0° | 120.0° |
C48 | C57 | H28 | H30 | 120.0° | 120.0° |
C48 | C57 | H29 | H30 | 120.0° | 120.0° |
C11 | C10 | C9 | F63 | 179.6° | 180.0° |
C11 | C10 | C9 | N64 | 179.9° | 180.0° |
C9 | C10 | C11 | H2 | 179.9° | 180.0° |
C10 | C9 | N64 | H32 | 0.2° | 180.0° |
C10 | C9 | N64 | H33 | 119.8° | 0.1° |
N64 | C9 | C10 | F63 | 0.5° | 0.0° |
C9 | N64 | H32 | H33 | 120.0° | 180.0° |
C48 | C41 | C42 | C44 | 179.9° | 180.0° |
C48 | C41 | C39 | H18 | 0.2° | 0.1° |
C48 | C41 | C42 | H19 | 0.2° | 0.1° |
C41 | C48 | C49 | H22 | 59.2° | 60.0° |
C41 | C48 | C49 | H23 | 179.2° | 180.0° |
C41 | C48 | C49 | H24 | 60.8° | 60.0° |
C41 | C48 | C53 | H25 | 56.4° | 60.0° |
C41 | C48 | C53 | H26 | 176.4° | 180.0° |
C41 | C48 | C53 | H27 | 63.6° | 60.0° |
C41 | C48 | C57 | H28 | 58.0° | 60.0° |
C41 | C48 | C57 | H29 | 62.0° | 180.0° |
C41 | C48 | C57 | H30 | 178.0° | 60.0° |
C53 | C48 | C41 | C42 | 10.0° | 120.0° |
C53 | C48 | C49 | H22 | 66.9° | 60.0° |
C53 | C48 | C49 | H23 | 53.0° | 60.0° |
C53 | C48 | C49 | H24 | 173.0° | 180.0° |
C48 | C53 | H25 | H26 | 120.0° | 120.0° |
C48 | C53 | H25 | H27 | 120.0° | 120.0° |
C48 | C53 | H26 | H27 | 120.0° | 120.0° |
C53 | C48 | C57 | H28 | 67.0° | 180.0° |
C53 | C48 | C57 | H29 | 173.0° | 59.9° |
C53 | C48 | C57 | H30 | 53.0° | 60.0° |
C41 | C42 | C44 | C46 | 0.1° | 0.3° |
C41 | C42 | C44 | H19 | 180.0° | 179.9° |
C42 | C41 | C39 | H18 | 179.8° | 179.9° |
C41 | C42 | C44 | H20 | 180.0° | 180.0° |
C46 | C44 | C42 | H20 | 180.0° | 179.7° |
C46 | C44 | C42 | H19 | 179.9° | 179.9° |
F63 | C10 | C11 | H2 | 0.5° | 0.1° |
C42 | C44 | C46 | H21 | 179.9° | 179.8° |
H4 | C16 | C19 | H6 | 171.1° | 65.2° |
H5 | C16 | C19 | H6 | 51.1° | 174.8° |
H6 | C19 | C21 | H7 | 173.6° | 169.7° |
H6 | C19 | C29 | H11 | 169.0° | 176.9° |
H6 | C19 | C29 | H12 | 71.9° | 62.8° |
H7 | C21 | C23 | H8 | 179.7° | 169.8° |
H7 | C21 | O61 | H31 | 62.0° | 59.3° |
H8 | C23 | C25 | H9 | 59.9° | 62.7° |
H8 | C23 | C25 | H10 | 178.7° | 176.9° |
H8 | C23 | N33 | H14 | 173.4° | 159.1° |
H14 | N33 | C35 | H16 | 62.3° | 63.9° |
H14 | N33 | C35 | H17 | 57.8° | 176.1° |
H19 | C42 | C44 | H20 | 0.1° | 0.1° |
H20 | C44 | C46 | H21 | 0.0° | 0.1° |
H22 | C49 | H23 | H24 | 120.0° | 120.0° |
H25 | C53 | H26 | H27 | 120.0° | 119.9° |
H28 | C57 | H29 | H30 | 120.0° | 120.0° |