FSC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C4 | doub | 1.31Å | 1.36Å | |
C1 | C2 | sing | 1.51Å | 1.53Å | |
C1 | C3 | sing | 1.51Å | 1.55Å | |
C4 | C11 | sing | 1.50Å | 1.53Å | |
C4 | C10 | sing | 1.51Å | 1.52Å | |
C11 | C18 | sing | 1.53Å | 1.53Å | |
C11 | C17 | sing | 1.53Å | 1.53Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C18 | H182 | sing | 1.09Å | 1.10Å | |
C18 | H183 | sing | 1.09Å | 1.10Å | |
C17 | O24 | sing | 1.45Å | 1.43Å | |
C17 | H171 | sing | 1.09Å | 1.10Å | |
C17 | H172 | sing | 1.09Å | 1.10Å | |
O24 | C31 | sing | 1.34Å | 1.35Å | |
C31 | O37 | doub | 1.21Å | 1.22Å | |
C31 | C36 | sing | 1.51Å | 1.50Å | |
C36 | H361 | sing | 1.09Å | 1.10Å | |
C36 | H362 | sing | 1.09Å | 1.10Å | |
C36 | H363 | sing | 1.09Å | 1.10Å | |
C10 | C6 | sing | 1.53Å | 1.55Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.08Å | 1.10Å | |
C6 | O13 | sing | 1.42Å | 1.44Å | |
C6 | C2 | sing | 1.55Å | 1.56Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
O13 | H13 | sing | 0.97Å | 0.99Å | |
C2 | C7 | sing | 1.53Å | 1.54Å | |
C2 | C5 | sing | 1.49Å | 1.53Å | |
C7 | H7C1 | sing | 1.09Å | 1.10Å | |
C7 | H7C2 | sing | 1.09Å | 1.10Å | |
C7 | H7C3 | sing | 1.09Å | 1.10Å | |
C5 | C12 | doub | 1.31Å | 1.36Å | |
C5 | H5 | sing | 1.11Å | 1.06Å | |
C12 | C20 | sing | 1.53Å | 1.52Å | |
C12 | C19 | sing | 1.49Å | 1.54Å | |
C20 | C27 | sing | 1.53Å | 1.53Å | |
C20 | C26 | sing | 1.53Å | 1.54Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C27 | O32 | sing | 1.43Å | 1.43Å | |
C27 | H271 | sing | 1.09Å | 1.10Å | |
C27 | H272 | sing | 1.09Å | 1.10Å | |
O32 | C38 | sing | 1.43Å | 1.43Å | |
C38 | H381 | sing | 1.09Å | 1.10Å | |
C38 | H382 | sing | 1.09Å | 1.10Å | |
C38 | H383 | sing | 1.09Å | 1.10Å | |
C26 | C25 | sing | 1.54Å | 1.55Å | |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C26 | H262 | sing | 1.09Å | 1.10Å | |
C25 | C19 | sing | 1.55Å | 1.54Å | |
C25 | H251 | sing | 1.08Å | 1.10Å | |
C25 | H252 | sing | 1.08Å | 1.10Å | |
C19 | C15 | sing | 1.49Å | 1.59Å | |
C19 | H19 | sing | 1.13Å | 1.10Å | |
C15 | C23 | sing | 1.53Å | 1.54Å | |
C15 | C9 | sing | 1.50Å | 1.58Å | |
C15 | H15 | sing | 1.14Å | 1.10Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C23 | H232 | sing | 1.09Å | 1.10Å | |
C23 | H233 | sing | 1.09Å | 1.10Å | |
C9 | O16 | sing | 1.44Å | 1.43Å | |
C9 | C3 | sing | 1.51Å | 1.58Å | |
C9 | H9 | sing | 1.12Å | 1.10Å | |
O16 | H16 | sing | 0.97Å | 0.99Å | |
C3 | O8 | sing | 1.42Å | 1.44Å | |
C3 | H3 | sing | 1.12Å | 1.10Å | |
O8 | C14 | sing | 1.43Å | 1.46Å | |
C14 | O22 | sing | 1.43Å | 1.47Å | |
C14 | C21 | sing | 1.53Å | 1.55Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
O22 | C30 | sing | 1.43Å | 1.48Å | |
C30 | C33 | sing | 1.53Å | 1.57Å | |
C30 | C35 | sing | 1.53Å | 1.53Å | |
C30 | H30 | sing | 1.09Å | 1.10Å | |
C33 | O39 | sing | 1.43Å | 1.43Å | |
C33 | C28 | sing | 1.53Å | 1.55Å | |
C33 | H33 | sing | 1.09Å | 1.10Å | |
O39 | H39 | sing | 0.97Å | 0.99Å | |
C28 | O34 | sing | 1.45Å | 1.46Å | |
C28 | C21 | sing | 1.53Å | 1.56Å | |
C28 | H28 | sing | 1.09Å | 1.10Å | |
O34 | C40 | sing | 1.34Å | 1.36Å | |
C40 | O43 | doub | 1.21Å | 1.22Å | |
C40 | C42 | sing | 1.51Å | 1.52Å | |
C42 | H421 | sing | 1.09Å | 1.10Å | |
C42 | H422 | sing | 1.09Å | 1.10Å | |
C42 | H423 | sing | 1.09Å | 1.10Å | |
C21 | O29 | sing | 1.43Å | 1.43Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
O29 | H29 | sing | 0.97Å | 0.99Å | |
C35 | O41 | sing | 1.43Å | 1.45Å | |
C35 | H351 | sing | 1.09Å | 1.10Å | |
C35 | H352 | sing | 1.09Å | 1.10Å | |
O41 | C44 | sing | 1.43Å | 1.47Å | |
C44 | C47 | sing | 1.53Å | 1.54Å | |
C44 | C46 | sing | 1.53Å | 1.54Å | |
C44 | C45 | sing | 1.51Å | 1.54Å | |
C47 | H471 | sing | 1.09Å | 1.10Å | |
C47 | H472 | sing | 1.09Å | 1.10Å | |
C47 | H473 | sing | 1.09Å | 1.10Å | |
C46 | H461 | sing | 1.09Å | 1.10Å | |
C46 | H462 | sing | 1.09Å | 1.10Å | |
C46 | H463 | sing | 1.09Å | 1.10Å | |
C45 | C48 | doub | 1.31Å | 1.36Å | |
C45 | H45 | sing | 1.08Å | 1.06Å | |
C48 | H481 | sing | 1.08Å | 1.06Å | |
C48 | H482 | sing | 1.08Å | 1.06Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | C1 | C2 | 109.1° | 108.8° |
C4 | C1 | C3 | 129.0° | 124.1° |
C1 | C4 | C11 | 124.9° | 125.8° |
C1 | C4 | C10 | 110.0° | 110.6° |
C2 | C1 | C3 | 121.7° | 127.0° |
C1 | C2 | C6 | 105.2° | 104.5° |
C1 | C2 | C7 | 111.3° | 114.6° |
C1 | C2 | C5 | 117.1° | 108.2° |
C1 | C3 | C9 | 116.6° | 101.2° |
C1 | C3 | O8 | 107.7° | 114.3° |
C1 | C3 | H3 | 105.1° | 109.2° |
C11 | C4 | C10 | 125.1° | 123.5° |
C4 | C11 | C18 | 111.1° | 109.5° |
C4 | C11 | C17 | 110.3° | 109.5° |
C4 | C11 | H11 | 107.8° | 109.5° |
C4 | C10 | C6 | 106.8° | 105.6° |
C4 | C10 | H101 | 110.1° | 109.8° |
C4 | C10 | H102 | 111.0° | 110.2° |
C18 | C11 | C17 | 109.4° | 109.4° |
C18 | C11 | H11 | 108.7° | 109.5° |
C11 | C18 | H181 | 109.5° | 109.5° |
C11 | C18 | H182 | 109.4° | 109.5° |
C11 | C18 | H183 | 109.4° | 109.5° |
C17 | C11 | H11 | 109.5° | 109.5° |
C11 | C17 | O24 | 109.0° | 109.5° |
C11 | C17 | H171 | 109.6° | 109.4° |
C11 | C17 | H172 | 109.7° | 109.5° |
H181 | C18 | H182 | 109.5° | 109.5° |
H181 | C18 | H183 | 109.5° | 109.4° |
H182 | C18 | H183 | 109.5° | 109.5° |
O24 | C17 | H171 | 109.6° | 109.5° |
O24 | C17 | H172 | 109.8° | 109.5° |
C17 | O24 | C31 | 119.2° | 117.0° |
H171 | C17 | H172 | 109.2° | 109.5° |
O24 | C31 | O37 | 120.7° | 120.0° |
O24 | C31 | C36 | 119.7° | 120.1° |
O37 | C31 | C36 | 119.6° | 120.0° |
C31 | C36 | H361 | 109.5° | 109.4° |
C31 | C36 | H362 | 109.5° | 109.5° |
C31 | C36 | H363 | 109.5° | 109.5° |
H361 | C36 | H362 | 109.4° | 109.5° |
H361 | C36 | H363 | 109.4° | 109.4° |
H362 | C36 | H363 | 109.5° | 109.5° |
C6 | C10 | H101 | 110.1° | 109.8° |
C6 | C10 | H102 | 111.1° | 110.3° |
C10 | C6 | O13 | 111.8° | 110.6° |
C10 | C6 | C2 | 103.7° | 98.7° |
C10 | C6 | H6 | 113.8° | 111.8° |
H101 | C10 | H102 | 107.7° | 111.0° |
O13 | C6 | C2 | 114.8° | 111.3° |
O13 | C6 | H6 | 102.4° | 112.9° |
C6 | O13 | H13 | 109.5° | 114.0° |
C2 | C6 | H6 | 110.7° | 110.8° |
C6 | C2 | C7 | 110.1° | 108.1° |
C6 | C2 | C5 | 108.2° | 107.4° |
C7 | C2 | C5 | 104.8° | 113.5° |
C2 | C7 | H7C1 | 109.5° | 109.4° |
C2 | C7 | H7C2 | 109.5° | 109.5° |
C2 | C7 | H7C3 | 109.5° | 109.4° |
C2 | C5 | C12 | 133.4° | 128.4° |
C2 | C5 | H5 | 113.3° | 116.0° |
H7C1 | C7 | H7C2 | 109.5° | 109.5° |
H7C1 | C7 | H7C3 | 109.5° | 109.5° |
H7C2 | C7 | H7C3 | 109.5° | 109.5° |
C12 | C5 | H5 | 113.3° | 115.7° |
C5 | C12 | C20 | 116.2° | 119.5° |
C5 | C12 | C19 | 135.2° | 135.1° |
C20 | C12 | C19 | 108.5° | 105.4° |
C12 | C20 | C27 | 111.6° | 111.3° |
C12 | C20 | C26 | 105.7° | 102.6° |
C12 | C20 | H20 | 111.1° | 109.8° |
C12 | C19 | C25 | 106.5° | 97.9° |
C12 | C19 | C15 | 116.5° | 130.5° |
C12 | C19 | H19 | 107.9° | 105.5° |
C27 | C20 | C26 | 111.3° | 109.8° |
C27 | C20 | H20 | 105.6° | 111.5° |
C20 | C27 | O32 | 109.9° | 109.5° |
C20 | C27 | H271 | 109.4° | 109.5° |
C20 | C27 | H272 | 109.2° | 109.5° |
C26 | C20 | H20 | 111.6° | 111.6° |
C20 | C26 | C25 | 105.5° | 106.2° |
C20 | C26 | H261 | 110.4° | 110.1° |
C20 | C26 | H262 | 111.7° | 110.2° |
O32 | C27 | H271 | 109.4° | 109.5° |
O32 | C27 | H272 | 109.2° | 109.4° |
C27 | O32 | C38 | 111.5° | 114.0° |
H271 | C27 | H272 | 109.8° | 109.5° |
O32 | C38 | H381 | 109.5° | 109.5° |
O32 | C38 | H382 | 109.4° | 109.4° |
O32 | C38 | H383 | 109.5° | 109.5° |
H381 | C38 | H382 | 109.5° | 109.5° |
H381 | C38 | H383 | 109.4° | 109.5° |
H382 | C38 | H383 | 109.5° | 109.5° |
C25 | C26 | H261 | 110.5° | 109.8° |
C25 | C26 | H262 | 111.7° | 109.9° |
C26 | C25 | C19 | 106.0° | 101.1° |
C26 | C25 | H251 | 110.3° | 111.1° |
C26 | C25 | H252 | 111.4° | 110.0° |
H261 | C26 | H262 | 107.0° | 110.6° |
C19 | C25 | H251 | 110.3° | 110.2° |
C19 | C25 | H252 | 111.5° | 110.6° |
C25 | C19 | C15 | 112.6° | 111.4° |
C25 | C19 | H19 | 112.1° | 102.6° |
H251 | C25 | H252 | 107.3° | 113.2° |
C15 | C19 | H19 | 101.1° | 105.8° |
C19 | C15 | C23 | 114.6° | 113.1° |
C19 | C15 | C9 | 113.3° | 117.7° |
C19 | C15 | H15 | 102.9° | 105.1° |
C23 | C15 | C9 | 109.6° | 111.5° |
C23 | C15 | H15 | 107.2° | 103.2° |
C15 | C23 | H231 | 109.5° | 109.5° |
C15 | C23 | H232 | 109.4° | 109.5° |
C15 | C23 | H233 | 109.5° | 109.4° |
C9 | C15 | H15 | 108.7° | 104.5° |
C15 | C9 | O16 | 107.8° | 111.2° |
C15 | C9 | C3 | 117.7° | 114.8° |
C15 | C9 | H9 | 104.1° | 107.0° |
H231 | C23 | H232 | 109.5° | 109.5° |
H231 | C23 | H233 | 109.5° | 109.5° |
H232 | C23 | H233 | 109.5° | 109.4° |
O16 | C9 | C3 | 106.7° | 111.4° |
O16 | C9 | H9 | 115.7° | 104.8° |
C9 | O16 | H16 | 109.5° | 114.0° |
C3 | C9 | H9 | 105.3° | 107.0° |
C9 | C3 | O8 | 107.1° | 117.2° |
C9 | C3 | H3 | 105.7° | 108.5° |
O8 | C3 | H3 | 115.0° | 106.2° |
C3 | O8 | C14 | 117.6° | 114.0° |
O8 | C14 | O22 | 110.5° | 109.5° |
O8 | C14 | C21 | 108.2° | 109.5° |
O8 | C14 | H14 | 109.9° | 109.5° |
O22 | C14 | C21 | 110.4° | 109.4° |
O22 | C14 | H14 | 107.7° | 109.5° |
C14 | O22 | C30 | 115.3° | 114.1° |
C21 | C14 | H14 | 110.1° | 109.5° |
C14 | C21 | C28 | 104.9° | 109.2° |
C14 | C21 | O29 | 109.4° | 109.5° |
C14 | C21 | H21 | 112.9° | 109.5° |
O22 | C30 | C33 | 113.9° | 109.4° |
O22 | C30 | C35 | 109.5° | 109.4° |
O22 | C30 | H30 | 106.7° | 109.5° |
C33 | C30 | C35 | 110.4° | 109.5° |
C33 | C30 | H30 | 105.8° | 109.5° |
C30 | C33 | O39 | 109.1° | 109.5° |
C30 | C33 | C28 | 107.5° | 109.2° |
C30 | C33 | H33 | 111.6° | 109.5° |
C35 | C30 | H30 | 110.5° | 109.5° |
C30 | C35 | O41 | 110.4° | 109.5° |
C30 | C35 | H351 | 109.2° | 109.5° |
C30 | C35 | H352 | 108.9° | 109.5° |
O39 | C33 | C28 | 111.1° | 109.5° |
O39 | C33 | H33 | 108.0° | 109.5° |
C33 | O39 | H39 | 109.5° | 114.0° |
C28 | C33 | H33 | 109.5° | 109.6° |
C33 | C28 | O34 | 117.5° | 109.5° |
C33 | C28 | C21 | 107.7° | 109.0° |
C33 | C28 | H28 | 106.9° | 109.5° |
O34 | C28 | C21 | 114.1° | 109.5° |
O34 | C28 | H28 | 99.3° | 109.5° |
C28 | O34 | C40 | 124.3° | 116.9° |
C21 | C28 | H28 | 110.9° | 109.6° |
C28 | C21 | O29 | 110.5° | 109.5° |
C28 | C21 | H21 | 111.8° | 109.5° |
O34 | C40 | O43 | 119.6° | 120.0° |
O34 | C40 | C42 | 120.3° | 120.0° |
O43 | C40 | C42 | 120.1° | 120.0° |
C40 | C42 | H421 | 109.5° | 109.5° |
C40 | C42 | H422 | 109.5° | 109.4° |
C40 | C42 | H423 | 109.5° | 109.5° |
H421 | C42 | H422 | 109.4° | 109.4° |
H421 | C42 | H423 | 109.4° | 109.5° |
H422 | C42 | H423 | 109.5° | 109.5° |
O29 | C21 | H21 | 107.5° | 109.6° |
C21 | O29 | H29 | 109.5° | 114.0° |
O41 | C35 | H351 | 109.2° | 109.4° |
O41 | C35 | H352 | 108.9° | 109.5° |
C35 | O41 | C44 | 120.5° | 114.0° |
H351 | C35 | H352 | 110.1° | 109.4° |
O41 | C44 | C47 | 110.4° | 109.4° |
O41 | C44 | C46 | 109.5° | 109.5° |
O41 | C44 | C45 | 110.7° | 109.4° |
C47 | C44 | C46 | 108.3° | 109.5° |
C47 | C44 | C45 | 108.5° | 109.5° |
C44 | C47 | H471 | 109.5° | 109.4° |
C44 | C47 | H472 | 109.5° | 109.5° |
C44 | C47 | H473 | 109.5° | 109.5° |
C46 | C44 | C45 | 109.3° | 109.5° |
C44 | C46 | H461 | 109.5° | 109.4° |
C44 | C46 | H462 | 109.5° | 109.5° |
C44 | C46 | H463 | 109.5° | 109.5° |
C44 | C45 | C48 | 122.0° | 120.0° |
C44 | C45 | H45 | 119.0° | 120.0° |
H471 | C47 | H472 | 109.5° | 109.5° |
H471 | C47 | H473 | 109.4° | 109.5° |
H472 | C47 | H473 | 109.5° | 109.4° |
H461 | C46 | H462 | 109.5° | 109.5° |
H461 | C46 | H463 | 109.4° | 109.5° |
H462 | C46 | H463 | 109.5° | 109.5° |
C48 | C45 | H45 | 119.0° | 120.0° |
C45 | C48 | H481 | 120.0° | 120.0° |
C45 | C48 | H482 | 120.0° | 120.0° |
H481 | C48 | H482 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4 | C1 | C2 | C3 | 175.1° | 177.0° |
C1 | C4 | C11 | C10 | 178.5° | 175.2° |
C1 | C4 | C11 | C18 | 109.7° | 112.9° |
C1 | C4 | C11 | C17 | 128.8° | 127.1° |
C1 | C4 | C11 | H11 | 9.3° | 7.1° |
C1 | C4 | C10 | C6 | 8.8° | 13.4° |
C1 | C4 | C10 | H101 | 128.4° | 131.7° |
C1 | C4 | C10 | H102 | 112.4° | 105.8° |
C4 | C1 | C2 | C6 | 24.2° | 28.1° |
C4 | C1 | C2 | C7 | 143.4° | 90.0° |
C4 | C1 | C2 | C5 | 96.1° | 142.3° |
C4 | C1 | C3 | C9 | 74.9° | 109.4° |
C4 | C1 | C3 | O8 | 45.4° | 123.7° |
C4 | C1 | C3 | H3 | 168.4° | 4.8° |
C2 | C1 | C4 | C11 | 158.1° | 175.1° |
C2 | C1 | C4 | C10 | 20.6° | 9.2° |
C1 | C2 | C6 | C10 | 17.4° | 33.3° |
C1 | C2 | C6 | O13 | 139.7° | 82.9° |
C1 | C2 | C6 | C7 | 120.0° | 122.4° |
C1 | C2 | C6 | C5 | 125.9° | 114.8° |
C1 | C2 | C6 | H6 | 105.0° | 150.7° |
C1 | C2 | C7 | C5 | 127.6° | 125.0° |
C1 | C2 | C7 | H7C1 | 74.4° | 41.0° |
C1 | C2 | C7 | H7C2 | 165.6° | 161.0° |
C1 | C2 | C7 | H7C3 | 45.6° | 79.0° |
C1 | C2 | C5 | C12 | 6.3° | 64.7° |
C1 | C2 | C5 | H5 | 173.6° | 113.7° |
C2 | C1 | C3 | C9 | 99.1° | 74.0° |
C2 | C1 | C3 | O8 | 140.6° | 52.9° |
C2 | C1 | C3 | H3 | 17.6° | 171.7° |
C3 | C1 | C4 | C11 | 16.5° | 7.8° |
C3 | C1 | C4 | C10 | 164.8° | 167.9° |
C3 | C1 | C2 | C6 | 160.8° | 148.9° |
C3 | C1 | C2 | C7 | 41.6° | 93.0° |
C3 | C1 | C2 | C5 | 79.0° | 34.7° |
C1 | C3 | C9 | C15 | 65.6° | 96.6° |
C1 | C3 | C9 | O16 | 173.3° | 31.0° |
C1 | C3 | C9 | O8 | 120.6° | 125.0° |
C1 | C3 | C9 | H3 | 116.3° | 114.8° |
C1 | C3 | C9 | H9 | 49.9° | 144.9° |
C1 | C3 | O8 | H3 | 116.7° | 120.5° |
C1 | C3 | O8 | C14 | 114.7° | 118.3° |
C4 | C11 | C18 | C17 | 122.0° | 120.0° |
C4 | C11 | C18 | H11 | 118.4° | 120.1° |
C4 | C11 | C17 | H11 | 118.5° | 120.0° |
C4 | C11 | C18 | H181 | 97.5° | 69.4° |
C4 | C11 | C18 | H182 | 142.5° | 170.6° |
C4 | C11 | C18 | H183 | 22.5° | 50.5° |
C4 | C11 | C17 | O24 | 151.9° | 175.0° |
C4 | C11 | C17 | H171 | 32.0° | 55.0° |
C4 | C11 | C17 | H172 | 87.8° | 65.0° |
C11 | C4 | C10 | C6 | 169.9° | 162.5° |
C11 | C4 | C10 | H101 | 50.3° | 44.2° |
C11 | C4 | C10 | H102 | 68.9° | 78.4° |
C10 | C4 | C11 | C18 | 68.8° | 62.3° |
C10 | C4 | C11 | C17 | 52.7° | 57.7° |
C10 | C4 | C11 | H11 | 172.2° | 177.7° |
C4 | C10 | C6 | H101 | 119.6° | 118.4° |
C4 | C10 | C6 | H102 | 121.1° | 119.1° |
C4 | C10 | H101 | H102 | 121.2° | 122.1° |
C4 | C10 | C6 | O13 | 130.5° | 88.5° |
C4 | C10 | C6 | C2 | 6.2° | 28.3° |
C4 | C10 | C6 | H6 | 114.1° | 144.9° |
C18 | C11 | C17 | H11 | 119.0° | 120.0° |
C11 | C18 | H181 | H182 | 120.0° | 120.1° |
C11 | C18 | H181 | H183 | 120.0° | 120.0° |
C11 | C18 | H182 | H183 | 120.0° | 120.0° |
C18 | C11 | C17 | O24 | 85.6° | 65.0° |
C18 | C11 | C17 | H171 | 154.5° | 175.0° |
C18 | C11 | C17 | H172 | 34.7° | 55.0° |
C17 | C11 | C18 | H181 | 140.5° | 170.6° |
C17 | C11 | C18 | H182 | 20.6° | 50.6° |
C17 | C11 | C18 | H183 | 99.5° | 69.5° |
C11 | C17 | O24 | H171 | 119.9° | 120.0° |
C11 | C17 | O24 | H172 | 120.2° | 120.0° |
C11 | C17 | H171 | H172 | 120.2° | 120.0° |
C11 | C17 | O24 | C31 | 175.8° | 180.0° |
H11 | C11 | C18 | H181 | 20.9° | 50.6° |
H11 | C11 | C18 | H182 | 99.0° | 69.4° |
H11 | C11 | C18 | H183 | 140.9° | 170.6° |
H11 | C11 | C17 | O24 | 33.5° | 54.9° |
H11 | C11 | C17 | H171 | 86.4° | 65.0° |
H11 | C11 | C17 | H172 | 153.7° | 175.0° |
H181 | C18 | H182 | H183 | 120.0° | 119.9° |
O24 | C17 | H171 | H172 | 120.2° | 120.0° |
C17 | O24 | C31 | O37 | 41.5° | 0.1° |
C17 | O24 | C31 | C36 | 138.9° | 180.0° |
H171 | C17 | O24 | C31 | 55.9° | 60.1° |
H172 | C17 | O24 | C31 | 63.9° | 59.9° |
O24 | C31 | O37 | C36 | 179.5° | 179.9° |
O24 | C31 | C36 | H361 | 39.2° | 0.1° |
O24 | C31 | C36 | H362 | 159.2° | 120.0° |
O24 | C31 | C36 | H363 | 80.8° | 120.0° |
O37 | C31 | C36 | H361 | 140.3° | 180.0° |
O37 | C31 | C36 | H362 | 20.3° | 60.0° |
O37 | C31 | C36 | H363 | 99.7° | 60.1° |
C31 | C36 | H361 | H362 | 120.0° | 120.1° |
C31 | C36 | H361 | H363 | 120.0° | 119.9° |
C31 | C36 | H362 | H363 | 120.0° | 120.0° |
H361 | C36 | H362 | H363 | 120.0° | 120.0° |
C6 | C10 | H101 | H102 | 121.3° | 122.2° |
C10 | C6 | O13 | C2 | 117.8° | 108.7° |
C10 | C6 | O13 | H6 | 122.2° | 126.1° |
C10 | C6 | C2 | H6 | 122.4° | 117.4° |
C10 | C6 | O13 | H13 | 105.4° | 61.4° |
C10 | C6 | C2 | C7 | 137.4° | 89.1° |
C10 | C6 | C2 | C5 | 108.5° | 148.1° |
H101 | C10 | C6 | O13 | 10.9° | 29.9° |
H101 | C10 | C6 | C2 | 113.3° | 146.6° |
H101 | C10 | C6 | H6 | 126.3° | 96.8° |
H102 | C10 | C6 | O13 | 108.4° | 152.4° |
H102 | C10 | C6 | C2 | 127.4° | 90.8° |
H102 | C10 | C6 | H6 | 7.0° | 25.8° |
O13 | C6 | C2 | H6 | 115.3° | 126.4° |
O13 | C6 | C2 | C7 | 100.3° | 154.7° |
O13 | C6 | C2 | C5 | 13.7° | 31.9° |
C2 | C6 | O13 | H13 | 12.4° | 170.1° |
C6 | C2 | C7 | C5 | 116.2° | 119.0° |
C6 | C2 | C7 | H7C1 | 169.4° | 157.0° |
C6 | C2 | C7 | H7C2 | 49.4° | 82.9° |
C6 | C2 | C7 | H7C3 | 70.6° | 37.1° |
C6 | C2 | C5 | C12 | 124.9° | 177.0° |
C6 | C2 | C5 | H5 | 55.0° | 1.4° |
H6 | C6 | O13 | H13 | 132.4° | 64.6° |
H6 | C6 | C2 | C7 | 15.0° | 28.2° |
H6 | C6 | C2 | C5 | 129.0° | 94.5° |
C2 | C7 | H7C1 | H7C2 | 120.0° | 120.0° |
C2 | C7 | H7C1 | H7C3 | 120.0° | 119.9° |
C2 | C7 | H7C2 | H7C3 | 120.0° | 120.0° |
C7 | C2 | C5 | C12 | 117.6° | 63.6° |
C7 | C2 | C5 | H5 | 62.5° | 118.0° |
C5 | C2 | C7 | H7C1 | 53.2° | 84.0° |
C5 | C2 | C7 | H7C2 | 66.8° | 36.1° |
C5 | C2 | C7 | H7C3 | 173.2° | 156.1° |
C2 | C5 | C12 | H5 | 180.0° | 178.4° |
C2 | C5 | C12 | C20 | 172.8° | 175.9° |
C2 | C5 | C12 | C19 | 4.8° | 8.4° |
H7C1 | C7 | H7C2 | H7C3 | 120.0° | 120.0° |
C5 | C12 | C20 | C19 | 178.2° | 176.8° |
C5 | C12 | C20 | C27 | 78.6° | 35.4° |
C5 | C12 | C20 | C26 | 160.3° | 152.7° |
C5 | C12 | C20 | H20 | 39.1° | 88.6° |
C5 | C12 | C19 | C25 | 176.3° | 134.7° |
C5 | C12 | C19 | C15 | 57.1° | 7.7° |
C5 | C12 | C19 | H19 | 55.7° | 119.8° |
H5 | C5 | C12 | C20 | 7.1° | 5.7° |
H5 | C5 | C12 | C19 | 175.3° | 170.0° |
C12 | C20 | C27 | C26 | 117.8° | 112.8° |
C12 | C20 | C27 | H20 | 120.9° | 123.0° |
C12 | C20 | C26 | H20 | 120.9° | 117.5° |
C12 | C20 | C27 | O32 | 152.3° | 175.0° |
C12 | C20 | C27 | H271 | 32.2° | 55.0° |
C12 | C20 | C27 | H272 | 87.9° | 65.1° |
C12 | C20 | C26 | C25 | 27.3° | 1.4° |
C12 | C20 | C26 | H261 | 92.1° | 117.3° |
C12 | C20 | C26 | H262 | 149.0° | 120.5° |
C20 | C12 | C19 | C25 | 1.5° | 49.2° |
C20 | C12 | C19 | C15 | 125.1° | 176.2° |
C20 | C12 | C19 | H19 | 122.1° | 56.3° |
C19 | C12 | C20 | C27 | 103.2° | 147.8° |
C19 | C12 | C20 | C26 | 17.9° | 30.5° |
C19 | C12 | C20 | H20 | 139.1° | 88.2° |
C12 | C19 | C25 | C26 | 15.5° | 48.3° |
C12 | C19 | C25 | C15 | 128.9° | 139.2° |
C12 | C19 | C25 | H19 | 117.8° | 108.0° |
C12 | C19 | C25 | H251 | 104.0° | 165.9° |
C12 | C19 | C25 | H252 | 137.0° | 68.2° |
C12 | C19 | C15 | H19 | 116.6° | 127.4° |
C12 | C19 | C15 | C23 | 31.8° | 81.6° |
C12 | C19 | C15 | C9 | 95.0° | 50.8° |
C12 | C19 | C15 | H15 | 147.8° | 166.6° |
C27 | C20 | C26 | H20 | 117.7° | 124.2° |
C20 | C27 | O32 | H271 | 120.1° | 120.0° |
C20 | C27 | O32 | H272 | 119.8° | 120.0° |
C20 | C27 | H271 | H272 | 119.7° | 120.0° |
C20 | C27 | O32 | C38 | 176.6° | 180.0° |
C27 | C20 | C26 | C25 | 94.1° | 116.9° |
C27 | C20 | C26 | H261 | 146.5° | 124.3° |
C27 | C20 | C26 | H262 | 27.6° | 2.1° |
C26 | C20 | C27 | O32 | 89.9° | 72.2° |
C26 | C20 | C27 | H271 | 150.0° | 167.8° |
C26 | C20 | C27 | H272 | 29.9° | 47.8° |
C20 | C26 | C25 | H261 | 119.4° | 118.9° |
C20 | C26 | C25 | H262 | 121.7° | 119.2° |
C20 | C26 | H261 | H262 | 121.8° | 122.0° |
C20 | C26 | C25 | C19 | 26.5° | 30.9° |
C20 | C26 | C25 | H251 | 92.9° | 147.8° |
C20 | C26 | C25 | H252 | 148.0° | 86.0° |
H20 | C20 | C27 | O32 | 31.3° | 52.0° |
H20 | C20 | C27 | H271 | 88.7° | 68.0° |
H20 | C20 | C27 | H272 | 151.1° | 172.0° |
H20 | C20 | C26 | C25 | 148.3° | 118.9° |
H20 | C20 | C26 | H261 | 28.9° | 0.1° |
H20 | C20 | C26 | H262 | 90.1° | 122.1° |
O32 | C27 | H271 | H272 | 119.8° | 120.0° |
C27 | O32 | C38 | H381 | 67.0° | 180.0° |
C27 | O32 | C38 | H382 | 173.0° | 60.0° |
C27 | O32 | C38 | H383 | 53.0° | 60.0° |
H271 | C27 | O32 | C38 | 63.3° | 60.0° |
H272 | C27 | O32 | C38 | 56.8° | 60.0° |
O32 | C38 | H381 | H382 | 120.0° | 120.0° |
O32 | C38 | H381 | H383 | 120.0° | 120.1° |
O32 | C38 | H382 | H383 | 120.0° | 120.0° |
H381 | C38 | H382 | H383 | 120.0° | 120.0° |
C25 | C26 | H261 | H262 | 121.8° | 121.5° |
C26 | C25 | C19 | H251 | 119.5° | 117.6° |
C26 | C25 | C19 | H252 | 121.5° | 116.5° |
C26 | C25 | H251 | H252 | 121.6° | 124.3° |
C26 | C25 | C19 | C15 | 144.3° | 172.5° |
C26 | C25 | C19 | H19 | 102.4° | 59.7° |
H261 | C26 | C25 | C19 | 92.9° | 88.1° |
H261 | C26 | C25 | H251 | 147.7° | 28.9° |
H261 | C26 | C25 | H252 | 28.6° | 155.0° |
H262 | C26 | C25 | C19 | 148.2° | 150.0° |
H262 | C26 | C25 | H251 | 28.7° | 93.0° |
H262 | C26 | C25 | H252 | 90.3° | 33.2° |
C19 | C25 | H251 | H252 | 121.6° | 124.4° |
C25 | C19 | C15 | H19 | 119.9° | 110.8° |
C25 | C19 | C15 | C23 | 91.7° | 40.2° |
C25 | C19 | C15 | C9 | 141.5° | 172.6° |
C25 | C19 | C15 | H15 | 24.3° | 71.6° |
H251 | C25 | C19 | C15 | 24.9° | 54.9° |
H251 | C25 | C19 | H19 | 138.2° | 57.9° |
H252 | C25 | C19 | C15 | 94.2° | 71.1° |
H252 | C25 | C19 | H19 | 19.1° | 176.1° |
C19 | C15 | C23 | C9 | 128.7° | 135.4° |
C19 | C15 | C23 | H15 | 113.5° | 113.0° |
C19 | C15 | C9 | H15 | 113.7° | 116.1° |
C19 | C15 | C23 | H231 | 114.6° | 45.6° |
C19 | C15 | C23 | H232 | 5.4° | 165.7° |
C19 | C15 | C23 | H233 | 125.4° | 74.4° |
C19 | C15 | C9 | O16 | 165.0° | 124.3° |
C19 | C15 | C9 | C3 | 74.4° | 3.4° |
C19 | C15 | C9 | H9 | 41.7° | 121.9° |
H19 | C19 | C15 | C23 | 148.4° | 151.0° |
H19 | C19 | C15 | C9 | 21.6° | 76.6° |
H19 | C19 | C15 | H15 | 95.6° | 39.1° |
C23 | C15 | C9 | H15 | 116.8° | 110.8° |
C15 | C23 | H231 | H232 | 120.0° | 120.1° |
C15 | C23 | H231 | H233 | 120.0° | 120.0° |
C15 | C23 | H232 | H233 | 120.0° | 120.0° |
C23 | C15 | C9 | O16 | 65.6° | 8.9° |
C23 | C15 | C9 | C3 | 55.0° | 136.5° |
C23 | C15 | C9 | H9 | 171.1° | 105.0° |
C9 | C15 | C23 | H231 | 116.7° | 89.8° |
C9 | C15 | C23 | H232 | 123.3° | 30.3° |
C9 | C15 | C23 | H233 | 3.3° | 150.2° |
C15 | C9 | O16 | C3 | 127.3° | 129.4° |
C15 | C9 | O16 | H9 | 116.0° | 115.3° |
C15 | C9 | C3 | H9 | 115.4° | 118.6° |
C15 | C9 | O16 | H16 | 56.5° | 180.0° |
C15 | C9 | C3 | O8 | 173.8° | 28.5° |
C15 | C9 | C3 | H3 | 50.8° | 148.7° |
H15 | C15 | C23 | H231 | 1.0° | 158.6° |
H15 | C15 | C23 | H232 | 119.0° | 81.3° |
H15 | C15 | C23 | H233 | 121.0° | 38.6° |
H15 | C15 | C9 | O16 | 51.3° | 119.7° |
H15 | C15 | C9 | C3 | 171.9° | 112.7° |
H15 | C15 | C9 | H9 | 72.1° | 5.8° |
H231 | C23 | H232 | H233 | 120.0° | 120.0° |
O16 | C9 | C3 | H9 | 123.4° | 113.9° |
O16 | C9 | C3 | O8 | 52.7° | 156.0° |
O16 | C9 | C3 | H3 | 70.4° | 83.8° |
C3 | C9 | O16 | H16 | 70.8° | 50.6° |
C9 | C3 | O8 | H3 | 117.1° | 121.4° |
C9 | C3 | O8 | C14 | 119.2° | 123.6° |
H9 | C9 | O16 | H16 | 172.5° | 64.7° |
H9 | C9 | C3 | O8 | 70.7° | 90.1° |
H9 | C9 | C3 | H3 | 166.2° | 30.1° |
C3 | O8 | C14 | O22 | 80.7° | 101.8° |
C3 | O8 | C14 | C21 | 158.3° | 138.3° |
C3 | O8 | C14 | H14 | 38.1° | 18.2° |
H3 | C3 | O8 | C14 | 2.1° | 2.2° |
O8 | C14 | O22 | C21 | 119.6° | 119.9° |
O8 | C14 | O22 | H14 | 120.1° | 120.0° |
O8 | C14 | C21 | H14 | 120.2° | 120.0° |
O8 | C14 | O22 | C30 | 66.0° | 58.8° |
O8 | C14 | C21 | C28 | 57.4° | 62.4° |
O8 | C14 | C21 | O29 | 61.1° | 57.6° |
O8 | C14 | C21 | H21 | 179.3° | 177.7° |
O22 | C14 | C21 | H14 | 118.8° | 120.0° |
C14 | O22 | C30 | C33 | 46.5° | 61.2° |
C14 | O22 | C30 | C35 | 170.6° | 178.9° |
C14 | O22 | C30 | H30 | 69.8° | 58.9° |
O22 | C14 | C21 | C28 | 63.7° | 57.6° |
O22 | C14 | C21 | O29 | 177.9° | 177.5° |
O22 | C14 | C21 | H21 | 58.3° | 62.3° |
C21 | C14 | O22 | C30 | 53.6° | 61.1° |
C14 | C21 | C28 | C33 | 69.5° | 57.0° |
C14 | C21 | C28 | O34 | 158.2° | 176.8° |
C14 | C21 | C28 | O29 | 117.8° | 119.9° |
C14 | C21 | C28 | H21 | 122.6° | 119.9° |
C14 | C21 | C28 | H28 | 47.2° | 63.0° |
C14 | C21 | O29 | H21 | 122.9° | 120.1° |
C14 | C21 | O29 | H29 | 40.7° | 59.9° |
H14 | C14 | O22 | C30 | 173.9° | 178.8° |
H14 | C14 | C21 | C28 | 177.5° | 177.6° |
H14 | C14 | C21 | O29 | 59.1° | 62.5° |
H14 | C14 | C21 | H21 | 60.5° | 57.7° |
O22 | C30 | C33 | C35 | 123.6° | 119.9° |
O22 | C30 | C33 | H30 | 116.9° | 120.0° |
O22 | C30 | C35 | H30 | 117.2° | 120.1° |
O22 | C30 | C33 | O39 | 170.4° | 177.5° |
O22 | C30 | C33 | C28 | 49.8° | 57.6° |
O22 | C30 | C33 | H33 | 70.4° | 62.3° |
O22 | C30 | C35 | O41 | 41.0° | 63.7° |
O22 | C30 | C35 | H351 | 79.2° | 176.4° |
O22 | C30 | C35 | H352 | 160.6° | 56.4° |
C33 | C30 | C35 | H30 | 116.6° | 120.0° |
C30 | C33 | O39 | C28 | 118.4° | 119.7° |
C30 | C33 | O39 | H33 | 121.5° | 120.1° |
C30 | C33 | C28 | H33 | 121.4° | 119.9° |
C30 | C33 | O39 | H39 | 30.0° | 60.0° |
C30 | C33 | C28 | O34 | 167.5° | 176.8° |
C30 | C33 | C28 | C21 | 62.1° | 57.0° |
C30 | C33 | C28 | H28 | 57.1° | 63.0° |
C33 | C30 | C35 | O41 | 85.2° | 176.4° |
C33 | C30 | C35 | H351 | 154.7° | 56.5° |
C33 | C30 | C35 | H352 | 34.4° | 63.5° |
C35 | C30 | C33 | O39 | 66.0° | 62.5° |
C35 | C30 | C33 | C28 | 173.4° | 177.6° |
C35 | C30 | C33 | H33 | 53.3° | 57.6° |
C30 | C35 | O41 | H351 | 120.1° | 120.0° |
C30 | C35 | O41 | H352 | 119.5° | 120.1° |
C30 | C35 | H351 | H352 | 119.5° | 120.0° |
C30 | C35 | O41 | C44 | 156.2° | 176.4° |
H30 | C30 | C33 | O39 | 53.5° | 57.5° |
H30 | C30 | C33 | C28 | 67.1° | 62.4° |
H30 | C30 | C33 | H33 | 172.8° | 177.6° |
H30 | C30 | C35 | O41 | 158.2° | 56.4° |
H30 | C30 | C35 | H351 | 38.1° | 63.5° |
H30 | C30 | C35 | H352 | 82.2° | 176.5° |
O39 | C33 | C28 | H33 | 119.3° | 120.2° |
O39 | C33 | C28 | O34 | 48.1° | 63.2° |
O39 | C33 | C28 | C21 | 178.5° | 176.9° |
O39 | C33 | C28 | H28 | 62.2° | 56.9° |
C28 | C33 | O39 | H39 | 148.4° | 179.7° |
C33 | C28 | O34 | C21 | 127.4° | 119.6° |
C33 | C28 | O34 | H28 | 114.7° | 120.2° |
C33 | C28 | C21 | H28 | 116.7° | 119.9° |
C33 | C28 | O34 | C40 | 59.0° | 154.2° |
C33 | C28 | C21 | O29 | 172.7° | 176.9° |
C33 | C28 | C21 | H21 | 53.1° | 62.9° |
H33 | C33 | O39 | H39 | 91.4° | 60.1° |
H33 | C33 | C28 | O34 | 71.1° | 56.9° |
H33 | C33 | C28 | C21 | 59.3° | 62.9° |
H33 | C33 | C28 | H28 | 178.5° | 177.1° |
O34 | C28 | C21 | H28 | 111.1° | 120.2° |
C28 | O34 | C40 | O43 | 89.7° | 1.2° |
C28 | O34 | C40 | C42 | 92.3° | 178.9° |
O34 | C28 | C21 | O29 | 40.5° | 63.3° |
O34 | C28 | C21 | H21 | 79.2° | 56.9° |
C21 | C28 | O34 | C40 | 68.4° | 86.2° |
C28 | C21 | O29 | H21 | 122.2° | 120.2° |
C28 | C21 | O29 | H29 | 155.6° | 179.6° |
H28 | C28 | O34 | C40 | 173.7° | 34.1° |
H28 | C28 | C21 | O29 | 70.6° | 57.0° |
H28 | C28 | C21 | H21 | 169.8° | 177.1° |
O34 | C40 | O43 | C42 | 177.9° | 179.9° |
O34 | C40 | C42 | H421 | 70.5° | 0.1° |
O34 | C40 | C42 | H422 | 169.5° | 120.0° |
O34 | C40 | C42 | H423 | 49.4° | 120.0° |
O43 | C40 | C42 | H421 | 111.5° | 180.0° |
O43 | C40 | C42 | H422 | 8.5° | 60.1° |
O43 | C40 | C42 | H423 | 128.5° | 59.9° |
C40 | C42 | H421 | H422 | 120.0° | 119.9° |
C40 | C42 | H421 | H423 | 120.0° | 120.1° |
C40 | C42 | H422 | H423 | 120.0° | 120.0° |
H421 | C42 | H422 | H423 | 119.9° | 120.0° |
H21 | C21 | O29 | H29 | 82.2° | 60.2° |
O41 | C35 | H351 | H352 | 119.6° | 120.0° |
C35 | O41 | C44 | C47 | 55.6° | 65.3° |
C35 | O41 | C44 | C46 | 174.8° | 54.8° |
C35 | O41 | C44 | C45 | 64.6° | 174.8° |
H351 | C35 | O41 | C44 | 36.1° | 63.6° |
H352 | C35 | O41 | C44 | 84.3° | 56.3° |
O41 | C44 | C47 | C46 | 119.9° | 120.1° |
O41 | C44 | C47 | C45 | 121.5° | 119.9° |
O41 | C44 | C46 | C45 | 121.5° | 120.0° |
O41 | C44 | C47 | H471 | 57.1° | 60.1° |
O41 | C44 | C47 | H472 | 63.0° | 180.0° |
O41 | C44 | C47 | H473 | 177.0° | 60.0° |
O41 | C44 | C46 | H461 | 40.1° | 60.0° |
O41 | C44 | C46 | H462 | 160.1° | 180.0° |
O41 | C44 | C46 | H463 | 79.9° | 60.0° |
O41 | C44 | C45 | C48 | 49.2° | 1.4° |
O41 | C44 | C45 | H45 | 130.7° | 178.6° |
C47 | C44 | C46 | C45 | 118.1° | 120.0° |
C44 | C47 | H471 | H472 | 120.0° | 120.0° |
C44 | C47 | H471 | H473 | 120.0° | 120.1° |
C44 | C47 | H472 | H473 | 120.0° | 120.1° |
C47 | C44 | C46 | H461 | 80.4° | 180.0° |
C47 | C44 | C46 | H462 | 39.6° | 60.0° |
C47 | C44 | C46 | H463 | 159.6° | 60.0° |
C47 | C44 | C45 | C48 | 170.6° | 118.5° |
C47 | C44 | C45 | H45 | 9.4° | 61.4° |
C46 | C44 | C47 | H471 | 62.9° | 60.0° |
C46 | C44 | C47 | H472 | 177.1° | 60.0° |
C46 | C44 | C47 | H473 | 57.1° | 180.0° |
C44 | C46 | H461 | H462 | 120.0° | 120.0° |
C44 | C46 | H461 | H463 | 120.0° | 120.0° |
C44 | C46 | H462 | H463 | 120.0° | 120.0° |
C46 | C44 | C45 | C48 | 71.5° | 121.5° |
C46 | C44 | C45 | H45 | 108.5° | 58.6° |
C45 | C44 | C47 | H471 | 178.6° | 180.0° |
C45 | C44 | C47 | H472 | 58.6° | 60.0° |
C45 | C44 | C47 | H473 | 61.4° | 60.0° |
C45 | C44 | C46 | H461 | 161.5° | 60.0° |
C45 | C44 | C46 | H462 | 78.4° | 60.0° |
C45 | C44 | C46 | H463 | 41.6° | 180.0° |
C44 | C45 | C48 | H45 | 180.0° | 180.0° |
C44 | C45 | C48 | H481 | 0.0° | 175.2° |
C44 | C45 | C48 | H482 | 180.0° | 4.7° |
H471 | C47 | H472 | H473 | 120.0° | 120.0° |
H461 | C46 | H462 | H463 | 119.9° | 120.0° |
C45 | C48 | H481 | H482 | 180.0° | 179.9° |
H45 | C45 | C48 | H481 | 180.0° | 4.9° |
H45 | C45 | C48 | H482 | 0.0° | 175.2° |