3HZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O34 | C33 | doub | 1.22Å | 1.19Å | |
C33 | O35 | sing | 1.35Å | 1.23Å | |
C33 | C32 | sing | 1.46Å | 1.48Å | |
C32 | C31 | doub | 1.38Å | 1.35Å | Aromatic |
C32 | O36 | sing | 1.35Å | 1.34Å | Aromatic |
C31 | C30 | sing | 1.40Å | 1.37Å | Aromatic |
O36 | C29 | sing | 1.34Å | 1.35Å | Aromatic |
C30 | C29 | doub | 1.37Å | 1.38Å | Aromatic |
C29 | C28 | sing | 1.48Å | 1.47Å | |
CL0 | C08 | sing | 1.74Å | 1.73Å | |
C37 | C28 | doub | 1.40Å | 1.49Å | Aromatic |
C37 | C38 | sing | 1.38Å | 1.31Å | Aromatic |
C28 | C27 | sing | 1.40Å | 1.34Å | Aromatic |
C38 | C25 | doub | 1.38Å | 1.49Å | Aromatic |
C27 | C26 | doub | 1.38Å | 1.49Å | Aromatic |
C08 | C07 | doub | 1.38Å | 1.49Å | Aromatic |
C08 | C10 | sing | 1.39Å | 1.33Å | Aromatic |
CL1 | C10 | sing | 1.74Å | 1.73Å | |
C07 | C06 | sing | 1.39Å | 1.32Å | Aromatic |
C25 | C26 | sing | 1.38Å | 1.34Å | Aromatic |
C25 | C24 | sing | 1.51Å | 1.48Å | |
C10 | C12 | doub | 1.38Å | 1.47Å | Aromatic |
C24 | N20 | sing | 1.46Å | 1.38Å | |
C06 | N05 | sing | 1.40Å | 1.40Å | |
C06 | C13 | doub | 1.39Å | 1.47Å | Aromatic |
N04 | N05 | sing | 1.28Å | 1.30Å | Aromatic |
N04 | C03 | doub | 1.32Å | 1.30Å | Aromatic |
O42 | C02 | doub | 1.21Å | 1.21Å | |
N05 | C14 | sing | 1.37Å | 1.35Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.33Å | Aromatic |
C16 | C17 | doub | 1.38Å | 1.48Å | Aromatic |
C16 | C15 | sing | 1.40Å | 1.34Å | Aromatic |
C03 | C02 | sing | 1.48Å | 1.49Å | |
C03 | C41 | sing | 1.41Å | 1.42Å | Aromatic |
C02 | O01 | sing | 1.35Å | 1.20Å | |
C14 | C15 | sing | 1.48Å | 1.50Å | |
C14 | C41 | doub | 1.37Å | 1.36Å | Aromatic |
C17 | C18 | sing | 1.38Å | 1.36Å | Aromatic |
C15 | C40 | doub | 1.39Å | 1.50Å | Aromatic |
N20 | C19 | sing | 1.47Å | 1.42Å | |
N20 | C21 | sing | 1.35Å | 1.43Å | |
C18 | C19 | sing | 1.51Å | 1.53Å | |
C18 | C39 | doub | 1.38Å | 1.48Å | Aromatic |
O23 | C21 | doub | 1.21Å | 1.21Å | |
C40 | C39 | sing | 1.38Å | 1.35Å | Aromatic |
C21 | C22 | sing | 1.51Å | 1.52Å | |
C13 | H131 | sing | 1.08Å | 1.08Å | |
C17 | H171 | sing | 1.08Å | 1.08Å | |
C22 | H222 | sing | 1.09Å | 1.10Å | |
C22 | H223 | sing | 1.09Å | 1.10Å | |
C22 | H221 | sing | 1.09Å | 1.10Å | |
C24 | H241 | sing | 1.09Å | 1.10Å | |
C24 | H242 | sing | 1.09Å | 1.10Å | |
C26 | H261 | sing | 1.08Å | 1.08Å | |
O01 | H1 | sing | 0.97Å | 0.95Å | |
C07 | H071 | sing | 1.08Å | 1.08Å | |
C12 | H121 | sing | 1.08Å | 1.08Å | |
C16 | H161 | sing | 1.08Å | 1.08Å | |
C19 | H192 | sing | 1.09Å | 1.10Å | |
C19 | H191 | sing | 1.09Å | 1.10Å | |
C27 | H271 | sing | 1.08Å | 1.08Å | |
C30 | H301 | sing | 1.08Å | 1.08Å | |
C31 | H311 | sing | 1.08Å | 1.08Å | |
O35 | H2 | sing | 0.97Å | 0.95Å | |
C37 | H371 | sing | 1.08Å | 1.08Å | |
C38 | H381 | sing | 1.08Å | 1.08Å | |
C39 | H391 | sing | 1.08Å | 1.08Å | |
C40 | H401 | sing | 1.08Å | 1.08Å | |
C41 | H411 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O34 | C33 | O35 | 127.2° | 120.0° |
O34 | C33 | C32 | 119.1° | 120.0° |
O35 | C33 | C32 | 113.7° | 120.0° |
C33 | O35 | H2 | 109.5° | 114.0° |
C33 | C32 | C31 | 128.5° | 126.0° |
C33 | C32 | O36 | 119.1° | 125.9° |
C31 | C32 | O36 | 112.4° | 108.1° |
C32 | C31 | C30 | 105.5° | 106.8° |
C32 | C31 | H311 | 127.2° | 126.6° |
C32 | O36 | C29 | 105.2° | 109.3° |
C31 | C30 | C29 | 107.2° | 107.1° |
C31 | C30 | H301 | 126.4° | 126.4° |
C30 | C31 | H311 | 127.3° | 126.6° |
O36 | C29 | C30 | 109.7° | 108.7° |
O36 | C29 | C28 | 119.9° | 125.7° |
C30 | C29 | C28 | 130.3° | 125.6° |
C29 | C30 | H301 | 126.4° | 126.5° |
C29 | C28 | C37 | 115.9° | 120.1° |
C29 | C28 | C27 | 122.4° | 120.1° |
CL0 | C08 | C07 | 118.7° | 120.0° |
CL0 | C08 | C10 | 120.5° | 120.0° |
C28 | C37 | C38 | 118.6° | 119.8° |
C37 | C28 | C27 | 121.5° | 119.7° |
C28 | C37 | H371 | 120.7° | 120.1° |
C37 | C38 | C25 | 120.8° | 120.2° |
C38 | C37 | H371 | 120.7° | 120.1° |
C37 | C38 | H381 | 119.6° | 119.9° |
C28 | C27 | C26 | 119.4° | 119.8° |
C28 | C27 | H271 | 120.3° | 120.1° |
C38 | C25 | C26 | 121.0° | 120.3° |
C38 | C25 | C24 | 119.3° | 119.8° |
C25 | C38 | H381 | 119.6° | 119.9° |
C27 | C26 | C25 | 118.5° | 120.2° |
C27 | C26 | H261 | 120.7° | 119.9° |
C26 | C27 | H271 | 120.3° | 120.1° |
C07 | C08 | C10 | 120.7° | 120.0° |
C08 | C07 | C06 | 119.4° | 120.0° |
C08 | C07 | H071 | 120.3° | 120.1° |
C08 | C10 | CL1 | 123.4° | 120.0° |
C08 | C10 | C12 | 118.6° | 120.1° |
CL1 | C10 | C12 | 118.0° | 120.0° |
C07 | C06 | N05 | 120.1° | 120.1° |
C07 | C06 | C13 | 120.5° | 119.9° |
C06 | C07 | H071 | 120.3° | 120.0° |
C26 | C25 | C24 | 119.7° | 119.9° |
C25 | C26 | H261 | 120.8° | 119.9° |
C25 | C24 | N20 | 112.1° | 109.5° |
C25 | C24 | H241 | 108.8° | 109.4° |
C25 | C24 | H242 | 108.8° | 109.5° |
C10 | C12 | C13 | 121.3° | 120.1° |
C10 | C12 | H121 | 119.4° | 120.0° |
C24 | N20 | C19 | 117.2° | 120.0° |
C24 | N20 | C21 | 120.6° | 120.0° |
N20 | C24 | H241 | 108.8° | 109.5° |
N20 | C24 | H242 | 108.8° | 109.5° |
N05 | C06 | C13 | 119.3° | 120.0° |
C06 | N05 | N04 | 121.5° | 125.0° |
C06 | N05 | C14 | 128.9° | 125.0° |
C06 | C13 | C12 | 119.4° | 119.9° |
C06 | C13 | H131 | 120.3° | 120.0° |
N05 | N04 | C03 | 110.1° | 110.4° |
N04 | N05 | C14 | 109.4° | 110.0° |
N04 | C03 | C02 | 122.7° | 126.3° |
N04 | C03 | C41 | 108.3° | 107.3° |
O42 | C02 | C03 | 117.0° | 120.0° |
O42 | C02 | O01 | 121.8° | 120.0° |
N05 | C14 | C15 | 125.9° | 126.6° |
N05 | C14 | C41 | 108.1° | 106.8° |
C12 | C13 | H131 | 120.3° | 120.1° |
C13 | C12 | H121 | 119.3° | 119.9° |
C17 | C16 | C15 | 120.3° | 119.8° |
C16 | C17 | C18 | 119.8° | 120.2° |
C16 | C17 | H171 | 120.1° | 119.9° |
C17 | C16 | H161 | 119.8° | 120.1° |
C16 | C15 | C14 | 119.2° | 120.1° |
C16 | C15 | C40 | 120.3° | 119.7° |
C15 | C16 | H161 | 119.9° | 120.1° |
C02 | C03 | C41 | 129.0° | 126.4° |
C03 | C02 | O01 | 121.2° | 120.0° |
C03 | C41 | C14 | 104.1° | 105.5° |
C03 | C41 | H411 | 128.0° | 127.2° |
C02 | O01 | H1 | 109.5° | 117.0° |
C15 | C14 | C41 | 125.9° | 126.6° |
C14 | C15 | C40 | 120.4° | 120.2° |
C14 | C41 | H411 | 127.9° | 127.3° |
C17 | C18 | C19 | 119.0° | 119.9° |
C17 | C18 | C39 | 119.9° | 120.3° |
C18 | C17 | H171 | 120.1° | 119.9° |
C15 | C40 | C39 | 119.4° | 119.9° |
C15 | C40 | H401 | 120.3° | 120.0° |
C19 | N20 | C21 | 122.1° | 120.0° |
N20 | C19 | C18 | 113.9° | 109.5° |
N20 | C19 | H192 | 108.3° | 109.5° |
N20 | C19 | H191 | 108.3° | 109.5° |
N20 | C21 | O23 | 118.1° | 120.0° |
N20 | C21 | C22 | 120.0° | 120.0° |
C19 | C18 | C39 | 121.1° | 119.9° |
C18 | C19 | H192 | 108.3° | 109.5° |
C18 | C19 | H191 | 108.4° | 109.5° |
C18 | C39 | C40 | 120.3° | 120.2° |
C18 | C39 | H391 | 119.9° | 119.9° |
O23 | C21 | C22 | 121.9° | 120.0° |
C40 | C39 | H391 | 119.9° | 119.9° |
C39 | C40 | H401 | 120.3° | 120.1° |
C21 | C22 | H222 | 109.5° | 109.5° |
C21 | C22 | H223 | 109.4° | 109.5° |
C21 | C22 | H221 | 109.5° | 109.5° |
H222 | C22 | H223 | 109.4° | 109.4° |
H222 | C22 | H221 | 109.5° | 109.5° |
H223 | C22 | H221 | 109.5° | 109.4° |
H241 | C24 | H242 | 109.5° | 109.5° |
H192 | C19 | H191 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O34 | C33 | O35 | C32 | 178.6° | 179.9° |
O34 | C33 | C32 | C31 | 5.6° | 0.1° |
O34 | C33 | C32 | O36 | 173.8° | 179.7° |
O34 | C33 | O35 | H2 | 0.0° | 0.0° |
O35 | C33 | C32 | C31 | 175.7° | 180.0° |
O35 | C33 | C32 | O36 | 4.9° | 0.4° |
C33 | C32 | C31 | O36 | 179.5° | 179.7° |
C33 | C32 | C31 | C30 | 179.4° | 179.9° |
C33 | C32 | O36 | C29 | 179.6° | 179.9° |
C33 | C32 | C31 | H311 | 0.6° | 0.1° |
C32 | C33 | O35 | H2 | 178.6° | 179.9° |
C32 | C31 | C30 | H311 | 180.0° | 180.0° |
C31 | C32 | O36 | C29 | 0.9° | 0.5° |
C32 | C31 | C30 | C29 | 1.0° | 0.0° |
C32 | C31 | C30 | H301 | 179.0° | 180.0° |
O36 | C32 | C31 | C30 | 0.1° | 0.3° |
C32 | O36 | C29 | C30 | 1.5° | 0.5° |
C32 | O36 | C29 | C28 | 177.5° | 179.8° |
O36 | C32 | C31 | H311 | 179.9° | 179.7° |
C31 | C30 | C29 | O36 | 1.6° | 0.3° |
C31 | C30 | C29 | H301 | 180.0° | 180.0° |
C31 | C30 | C29 | C28 | 177.0° | 180.0° |
O36 | C29 | C30 | C28 | 175.5° | 179.7° |
O36 | C29 | C28 | C37 | 3.6° | 179.7° |
O36 | C29 | C28 | C27 | 179.1° | 0.3° |
O36 | C29 | C30 | H301 | 178.4° | 179.7° |
C30 | C29 | C28 | C37 | 171.5° | 0.1° |
C30 | C29 | C28 | C27 | 4.1° | 180.0° |
C29 | C30 | C31 | H311 | 179.0° | 180.0° |
C29 | C28 | C37 | C27 | 175.6° | 180.0° |
C29 | C28 | C37 | C38 | 178.3° | 179.8° |
C29 | C28 | C27 | C26 | 178.9° | 179.9° |
C29 | C28 | C27 | H271 | 1.1° | 0.1° |
C28 | C29 | C30 | H301 | 3.0° | 0.1° |
C29 | C28 | C37 | H371 | 1.7° | 0.1° |
CL0 | C08 | C07 | C10 | 178.1° | 180.0° |
CL0 | C08 | C10 | CL1 | 0.6° | 0.3° |
CL0 | C08 | C07 | C06 | 179.0° | 180.0° |
CL0 | C08 | C10 | C12 | 177.9° | 180.0° |
CL0 | C08 | C07 | H071 | 1.0° | 0.0° |
C28 | C37 | C38 | H371 | 180.0° | 179.7° |
C28 | C37 | C38 | C25 | 0.4° | 0.3° |
C37 | C28 | C27 | C26 | 3.7° | 0.0° |
C37 | C28 | C27 | H271 | 176.4° | 180.0° |
C28 | C37 | C38 | H381 | 179.6° | 180.0° |
C38 | C37 | C28 | C27 | 2.7° | 0.3° |
C37 | C38 | C25 | H381 | 180.0° | 179.7° |
C37 | C38 | C25 | C26 | 0.7° | 0.0° |
C37 | C38 | C25 | C24 | 178.3° | 180.0° |
C28 | C27 | C26 | H271 | 180.0° | 180.0° |
C28 | C27 | C26 | C25 | 2.4° | 0.3° |
C28 | C27 | C26 | H261 | 177.5° | 180.0° |
C27 | C28 | C37 | H371 | 177.3° | 179.9° |
C38 | C25 | C26 | C27 | 0.2° | 0.3° |
C38 | C25 | C26 | C24 | 177.5° | 179.9° |
C38 | C25 | C24 | N20 | 107.8° | 90.0° |
C38 | C25 | C24 | H241 | 12.6° | 150.0° |
C38 | C25 | C24 | H242 | 131.8° | 30.0° |
C38 | C25 | C26 | H261 | 179.8° | 179.9° |
C25 | C38 | C37 | H371 | 179.6° | 180.0° |
C27 | C26 | C25 | H261 | 180.0° | 179.6° |
C27 | C26 | C25 | C24 | 177.3° | 179.7° |
C07 | C08 | C10 | CL1 | 178.7° | 179.7° |
C08 | C07 | C06 | H071 | 180.0° | 180.0° |
C07 | C08 | C10 | C12 | 0.1° | 0.0° |
C08 | C07 | C06 | N05 | 176.5° | 179.9° |
C08 | C07 | C06 | C13 | 0.9° | 0.1° |
C08 | C10 | CL1 | C12 | 178.6° | 179.7° |
C10 | C08 | C07 | C06 | 0.9° | 0.1° |
C08 | C10 | C12 | C13 | 1.2° | 0.1° |
C10 | C08 | C07 | H071 | 179.1° | 180.0° |
C08 | C10 | C12 | H121 | 178.8° | 180.0° |
CL1 | C10 | C12 | C13 | 179.8° | 179.7° |
CL1 | C10 | C12 | H121 | 0.2° | 0.3° |
C07 | C06 | N05 | C13 | 177.5° | 180.0° |
C07 | C06 | N05 | N04 | 103.1° | 46.2° |
C07 | C06 | N05 | C14 | 71.2° | 133.8° |
C07 | C06 | C13 | C12 | 0.1° | 0.0° |
C07 | C06 | C13 | H131 | 179.8° | 180.0° |
C26 | C25 | C24 | N20 | 74.6° | 90.0° |
C26 | C25 | C24 | H241 | 165.0° | 30.0° |
C26 | C25 | C24 | H242 | 45.8° | 150.0° |
C25 | C26 | C27 | H271 | 177.6° | 179.7° |
C26 | C25 | C38 | H381 | 179.2° | 179.7° |
C25 | C24 | N20 | H241 | 120.4° | 120.0° |
C25 | C24 | N20 | H242 | 120.4° | 120.0° |
C25 | C24 | N20 | C19 | 81.7° | 90.0° |
C25 | C24 | N20 | C21 | 95.6° | 90.0° |
C25 | C24 | H241 | H242 | 118.8° | 120.0° |
C24 | C25 | C26 | H261 | 2.7° | 0.1° |
C24 | C25 | C38 | H381 | 1.7° | 0.3° |
C10 | C12 | C13 | C06 | 1.2° | 0.1° |
C10 | C12 | C13 | H121 | 180.0° | 180.0° |
C10 | C12 | C13 | H131 | 178.8° | 180.0° |
C24 | N20 | C19 | C21 | 177.2° | 180.0° |
C24 | N20 | C19 | C18 | 63.3° | 91.6° |
C24 | N20 | C21 | O23 | 0.8° | 4.6° |
C24 | N20 | C21 | C22 | 179.8° | 175.3° |
N20 | C24 | H241 | H242 | 118.8° | 120.0° |
C24 | N20 | C19 | H192 | 176.1° | 28.4° |
C24 | N20 | C19 | H191 | 57.4° | 148.4° |
C06 | N05 | N04 | C14 | 175.3° | 180.0° |
C06 | N05 | N04 | C03 | 177.9° | 180.0° |
N05 | C06 | C13 | C12 | 177.6° | 180.0° |
C06 | N05 | C14 | C15 | 5.4° | 0.1° |
C06 | N05 | C14 | C41 | 177.7° | 179.8° |
N05 | C06 | C13 | H131 | 2.4° | 0.1° |
N05 | C06 | C07 | H071 | 3.5° | 0.0° |
C13 | C06 | N05 | N04 | 74.4° | 133.8° |
C13 | C06 | N05 | C14 | 111.3° | 46.2° |
C06 | C13 | C12 | H131 | 180.0° | 180.0° |
C13 | C06 | C07 | H071 | 179.1° | 180.0° |
C06 | C13 | C12 | H121 | 178.8° | 180.0° |
N05 | N04 | C03 | C02 | 179.9° | 179.9° |
N05 | N04 | C03 | C41 | 1.2° | 0.2° |
N04 | N05 | C14 | C15 | 179.8° | 180.0° |
N04 | N05 | C14 | C41 | 2.8° | 0.2° |
N04 | C03 | C02 | O42 | 3.5° | 179.7° |
C03 | N04 | N05 | C14 | 2.5° | 0.0° |
N04 | C03 | C02 | C41 | 178.4° | 179.7° |
N04 | C03 | C02 | O01 | 177.9° | 0.3° |
N04 | C03 | C41 | C14 | 0.5° | 0.3° |
N04 | C03 | C41 | H411 | 179.5° | 179.7° |
O42 | C02 | C03 | O01 | 178.6° | 180.0° |
O42 | C02 | C03 | C41 | 174.9° | 0.0° |
O42 | C02 | O01 | H1 | 0.0° | 0.0° |
N05 | C14 | C15 | C16 | 142.4° | 28.4° |
N05 | C14 | C41 | C03 | 2.0° | 0.3° |
N05 | C14 | C15 | C41 | 176.4° | 179.8° |
N05 | C14 | C15 | C40 | 35.4° | 151.9° |
N05 | C14 | C41 | H411 | 178.0° | 179.7° |
C17 | C16 | C15 | H161 | 180.0° | 180.0° |
C17 | C16 | C15 | C14 | 179.5° | 179.7° |
C16 | C17 | C18 | H171 | 180.0° | 179.7° |
C17 | C16 | C15 | C40 | 1.8° | 0.0° |
C16 | C17 | C18 | C19 | 178.3° | 179.7° |
C16 | C17 | C18 | C39 | 0.5° | 0.3° |
C16 | C15 | C14 | C40 | 177.7° | 179.7° |
C16 | C15 | C14 | C41 | 41.3° | 151.4° |
C15 | C16 | C17 | C18 | 0.7° | 0.0° |
C16 | C15 | C40 | C39 | 2.8° | 0.3° |
C15 | C16 | C17 | H171 | 179.3° | 179.7° |
C16 | C15 | C40 | H401 | 177.2° | 179.7° |
C02 | C03 | C41 | C14 | 178.0° | 179.9° |
C03 | C02 | O01 | H1 | 178.5° | 180.0° |
C02 | C03 | C41 | H411 | 1.9° | 0.0° |
C41 | C03 | C02 | O01 | 3.8° | 180.0° |
C03 | C41 | C14 | C15 | 178.9° | 179.8° |
C03 | C41 | C14 | H411 | 180.0° | 179.9° |
C14 | C15 | C40 | C39 | 179.5° | 180.0° |
C14 | C15 | C16 | H161 | 0.4° | 0.3° |
C14 | C15 | C40 | H401 | 0.6° | 0.0° |
C15 | C14 | C41 | H411 | 1.1° | 0.1° |
C41 | C14 | C15 | C40 | 141.0° | 28.3° |
C17 | C18 | C19 | N20 | 135.3° | 90.0° |
C17 | C18 | C19 | C39 | 177.8° | 180.0° |
C17 | C18 | C39 | C40 | 1.5° | 0.6° |
C18 | C17 | C16 | H161 | 179.3° | 180.0° |
C17 | C18 | C19 | H192 | 104.0° | 150.0° |
C17 | C18 | C19 | H191 | 14.7° | 30.0° |
C17 | C18 | C39 | H391 | 178.5° | 180.0° |
C15 | C40 | C39 | C18 | 2.6° | 0.5° |
C15 | C40 | C39 | H401 | 180.0° | 180.0° |
C40 | C15 | C16 | H161 | 178.2° | 180.0° |
C15 | C40 | C39 | H391 | 177.4° | 179.9° |
N20 | C19 | C18 | H192 | 120.6° | 120.0° |
N20 | C19 | C18 | H191 | 120.6° | 120.0° |
N20 | C19 | C18 | C39 | 46.9° | 90.0° |
C19 | N20 | C21 | O23 | 178.0° | 175.4° |
C19 | N20 | C21 | C22 | 2.7° | 4.7° |
C19 | N20 | C24 | H241 | 38.7° | 150.0° |
C19 | N20 | C24 | H242 | 157.9° | 30.0° |
N20 | C19 | H192 | H191 | 118.0° | 120.0° |
C21 | N20 | C19 | C18 | 119.5° | 88.4° |
N20 | C21 | O23 | C22 | 179.3° | 179.9° |
N20 | C21 | C22 | H222 | 179.4° | 93.8° |
N20 | C21 | C22 | H223 | 60.7° | 146.2° |
N20 | C21 | C22 | H221 | 59.3° | 26.2° |
C21 | N20 | C24 | H241 | 144.0° | 30.0° |
C21 | N20 | C24 | H242 | 24.8° | 150.0° |
C21 | N20 | C19 | H192 | 1.2° | 151.6° |
C21 | N20 | C19 | H191 | 119.8° | 31.7° |
C19 | C18 | C39 | C40 | 179.3° | 179.4° |
C19 | C18 | C17 | H171 | 1.7° | 0.1° |
C18 | C19 | H192 | H191 | 118.0° | 120.0° |
C19 | C18 | C39 | H391 | 0.7° | 0.0° |
C18 | C39 | C40 | H391 | 180.0° | 179.4° |
C39 | C18 | C17 | H171 | 179.5° | 180.0° |
C39 | C18 | C19 | H192 | 73.7° | 30.1° |
C39 | C18 | C19 | H191 | 167.5° | 150.0° |
C18 | C39 | C40 | H401 | 177.4° | 179.4° |
O23 | C21 | C22 | H222 | 0.0° | 86.1° |
O23 | C21 | C22 | H223 | 120.0° | 33.8° |
O23 | C21 | C22 | H221 | 120.0° | 153.8° |
C21 | C22 | H222 | H223 | 120.0° | 120.0° |
C21 | C22 | H222 | H221 | 120.0° | 120.1° |
C21 | C22 | H223 | H221 | 120.0° | 120.0° |
H131 | C13 | C12 | H121 | 1.2° | 0.0° |
H171 | C17 | C16 | H161 | 0.7° | 0.3° |
H222 | C22 | H223 | H221 | 120.0° | 120.0° |
H261 | C26 | C27 | H271 | 2.4° | 0.1° |
H301 | C30 | C31 | H311 | 1.0° | 0.0° |
H371 | C37 | C38 | H381 | 0.4° | 0.3° |
H391 | C39 | C40 | H401 | 2.6° | 0.0° |