BLL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | doub | 1.38Å | 1.46Å | Aromatic |
C01 | C06 | sing | 1.38Å | 1.48Å | Aromatic |
C01 | C23 | sing | 1.51Å | 1.55Å | |
C02 | C03 | sing | 1.38Å | 1.46Å | Aromatic |
C02 | H02 | sing | 1.08Å | 1.10Å | |
C03 | C04 | doub | 1.38Å | 1.46Å | Aromatic |
C03 | H03 | sing | 1.08Å | 1.10Å | |
C04 | C05 | sing | 1.38Å | 1.46Å | Aromatic |
C04 | H04 | sing | 1.08Å | 1.10Å | |
C05 | C06 | doub | 1.38Å | 1.46Å | Aromatic |
C05 | H05 | sing | 1.08Å | 1.10Å | |
C06 | H06 | sing | 1.08Å | 1.10Å | |
C07 | C08 | doub | 1.38Å | 1.48Å | Aromatic |
C07 | C12 | sing | 1.38Å | 1.47Å | Aromatic |
C07 | C13 | sing | 1.51Å | 1.55Å | |
C08 | C09 | sing | 1.38Å | 1.46Å | Aromatic |
C08 | H08 | sing | 1.08Å | 1.10Å | |
C09 | C10 | doub | 1.38Å | 1.46Å | Aromatic |
C09 | H09 | sing | 1.08Å | 1.10Å | |
C10 | C11 | sing | 1.38Å | 1.46Å | Aromatic |
C10 | H10 | sing | 1.08Å | 1.10Å | |
C11 | C12 | doub | 1.38Å | 1.46Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.10Å | |
C12 | H12 | sing | 1.08Å | 1.10Å | |
C13 | C14 | sing | 1.53Å | 1.48Å | |
C13 | H131 | sing | 1.09Å | 1.12Å | |
C13 | H132 | sing | 1.09Å | 1.12Å | |
C14 | C15 | sing | 1.53Å | 1.48Å | |
C14 | H141 | sing | 1.09Å | 1.12Å | |
C14 | H142 | sing | 1.09Å | 1.11Å | |
C15 | C16 | sing | 1.53Å | 1.58Å | |
C15 | C26 | sing | 1.51Å | 1.51Å | |
C15 | H15 | sing | 1.09Å | 1.11Å | |
C16 | C17 | sing | 1.53Å | 1.50Å | |
C16 | O25 | sing | 1.43Å | 1.47Å | |
C16 | H16 | sing | 1.09Å | 1.11Å | |
C17 | C18 | sing | 1.53Å | 1.60Å | |
C17 | O24 | sing | 1.43Å | 1.43Å | |
C17 | H17 | sing | 1.09Å | 1.12Å | |
C18 | C19 | sing | 1.51Å | 1.55Å | |
C18 | C22 | sing | 1.53Å | 1.50Å | |
C18 | H18 | sing | 1.09Å | 1.12Å | |
C19 | O20 | doub | 1.21Å | 1.23Å | |
C19 | N21 | sing | 1.35Å | 1.36Å | |
N21 | C39 | sing | 1.47Å | 1.44Å | |
N21 | H21 | sing | 0.97Å | 1.02Å | |
C22 | C23 | sing | 1.53Å | 1.48Å | |
C22 | H221 | sing | 1.09Å | 1.12Å | |
C22 | H222 | sing | 1.09Å | 1.11Å | |
C23 | H231 | sing | 1.09Å | 1.12Å | |
C23 | H232 | sing | 1.09Å | 1.11Å | |
O24 | H24 | sing | 0.97Å | 0.95Å | |
O25 | H25 | sing | 0.97Å | 0.95Å | |
C26 | O27 | doub | 1.21Å | 1.24Å | |
C26 | N28 | sing | 1.35Å | 1.37Å | |
N28 | C29 | sing | 1.46Å | 1.45Å | |
N28 | H28 | sing | 0.97Å | 1.02Å | |
C29 | C30 | sing | 1.52Å | 1.52Å | |
C29 | C35 | sing | 1.54Å | 1.54Å | |
C29 | H29 | sing | 1.09Å | 1.12Å | |
C30 | C31 | doub | 1.38Å | 1.46Å | Aromatic |
C30 | C32 | sing | 1.39Å | 1.47Å | Aromatic |
C31 | C37 | sing | 1.39Å | 1.45Å | Aromatic |
C31 | C38 | sing | 1.51Å | 1.50Å | |
C32 | C33 | doub | 1.38Å | 1.46Å | Aromatic |
C32 | H32 | sing | 1.08Å | 1.10Å | |
C33 | C34 | sing | 1.38Å | 1.46Å | Aromatic |
C33 | H33 | sing | 1.08Å | 1.10Å | |
C34 | C37 | doub | 1.38Å | 1.46Å | Aromatic |
C34 | H34 | sing | 1.08Å | 1.10Å | |
C35 | O36 | sing | 1.43Å | 1.43Å | |
C35 | C38 | sing | 1.54Å | 1.54Å | |
C35 | H35 | sing | 1.09Å | 1.12Å | |
O36 | H36 | sing | 0.97Å | 0.95Å | |
C37 | H37 | sing | 1.08Å | 1.10Å | |
C38 | H381 | sing | 1.09Å | 1.11Å | |
C38 | H382 | sing | 1.09Å | 1.12Å | |
C39 | C40 | sing | 1.51Å | 1.51Å | |
C39 | C46 | sing | 1.54Å | 1.64Å | |
C39 | H39 | sing | 1.09Å | 1.11Å | |
C40 | C41 | doub | 1.38Å | 1.46Å | Aromatic |
C40 | C42 | sing | 1.38Å | 1.47Å | Aromatic |
C41 | C45 | sing | 1.38Å | 1.46Å | Aromatic |
C41 | C48 | sing | 1.51Å | 1.25Å | |
C42 | C43 | doub | 1.38Å | 1.46Å | Aromatic |
C42 | H42 | sing | 1.08Å | 1.10Å | |
C43 | C44 | sing | 1.38Å | 1.47Å | Aromatic |
C43 | H43 | sing | 1.08Å | 1.10Å | |
C44 | C45 | doub | 1.38Å | 1.46Å | Aromatic |
C44 | H44 | sing | 1.08Å | 1.10Å | |
C45 | H45 | sing | 1.08Å | 1.10Å | |
C46 | O47 | sing | 1.43Å | 1.08Å | |
C46 | C48 | sing | 1.54Å | 1.40Å | |
C46 | H46 | sing | 1.09Å | 1.11Å | |
O47 | H47 | sing | 0.97Å | 0.95Å | |
C48 | H481 | sing | 1.09Å | 1.12Å | |
C48 | H482 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C02 | C01 | C06 | 116.6° | 120.0° |
C02 | C01 | C23 | 118.7° | 120.0° |
C01 | C02 | C03 | 122.8° | 120.0° |
C01 | C02 | H02 | 118.6° | 120.0° |
C06 | C01 | C23 | 124.7° | 120.0° |
C01 | C06 | C05 | 121.5° | 120.0° |
C01 | C06 | H06 | 119.2° | 120.0° |
C01 | C23 | C22 | 118.3° | 109.4° |
C01 | C23 | H231 | 109.0° | 109.5° |
C01 | C23 | H232 | 109.0° | 109.5° |
C03 | C02 | H02 | 118.6° | 120.0° |
C02 | C03 | C04 | 119.5° | 120.0° |
C02 | C03 | H03 | 120.3° | 120.0° |
C04 | C03 | H03 | 120.3° | 120.0° |
C03 | C04 | C05 | 119.7° | 120.0° |
C03 | C04 | H04 | 120.2° | 120.0° |
C05 | C04 | H04 | 120.2° | 120.0° |
C04 | C05 | C06 | 120.0° | 120.0° |
C04 | C05 | H05 | 120.0° | 120.0° |
C06 | C05 | H05 | 120.0° | 120.0° |
C05 | C06 | H06 | 119.2° | 120.1° |
C08 | C07 | C12 | 118.5° | 120.1° |
C08 | C07 | C13 | 122.0° | 120.0° |
C07 | C08 | C09 | 120.2° | 120.0° |
C07 | C08 | H08 | 119.9° | 120.0° |
C12 | C07 | C13 | 119.5° | 120.0° |
C07 | C12 | C11 | 120.8° | 120.0° |
C07 | C12 | H12 | 119.6° | 120.0° |
C07 | C13 | C14 | 117.1° | 109.5° |
C07 | C13 | H131 | 109.4° | 109.5° |
C07 | C13 | H132 | 109.4° | 109.5° |
C09 | C08 | H08 | 119.9° | 120.0° |
C08 | C09 | C10 | 120.2° | 120.0° |
C08 | C09 | H09 | 119.9° | 120.0° |
C10 | C09 | H09 | 119.9° | 120.0° |
C09 | C10 | C11 | 120.1° | 120.0° |
C09 | C10 | H10 | 119.9° | 120.0° |
C11 | C10 | H10 | 119.9° | 120.0° |
C10 | C11 | C12 | 120.1° | 120.0° |
C10 | C11 | H11 | 119.9° | 120.1° |
C12 | C11 | H11 | 119.9° | 119.9° |
C11 | C12 | H12 | 119.6° | 120.1° |
C14 | C13 | H131 | 109.4° | 109.4° |
C14 | C13 | H132 | 109.5° | 109.4° |
C13 | C14 | C15 | 116.2° | 109.5° |
C13 | C14 | H141 | 109.8° | 109.5° |
C13 | C14 | H142 | 109.8° | 109.4° |
H131 | C13 | H132 | 100.7° | 109.5° |
C15 | C14 | H141 | 109.8° | 109.5° |
C15 | C14 | H142 | 109.8° | 109.5° |
C14 | C15 | C16 | 115.3° | 109.5° |
C14 | C15 | C26 | 113.5° | 109.4° |
C14 | C15 | H15 | 105.8° | 109.5° |
H141 | C14 | H142 | 100.4° | 109.4° |
C16 | C15 | C26 | 110.0° | 109.5° |
C16 | C15 | H15 | 105.7° | 109.5° |
C15 | C16 | C17 | 123.1° | 109.5° |
C15 | C16 | O25 | 110.7° | 109.5° |
C15 | C16 | H16 | 104.8° | 109.5° |
C26 | C15 | H15 | 105.7° | 109.4° |
C15 | C26 | O27 | 118.6° | 120.0° |
C15 | C26 | N28 | 117.3° | 120.1° |
C17 | C16 | O25 | 107.0° | 109.4° |
C17 | C16 | H16 | 104.8° | 109.5° |
C16 | C17 | C18 | 112.4° | 109.5° |
C16 | C17 | O24 | 106.9° | 109.5° |
C16 | C17 | H17 | 107.8° | 109.4° |
O25 | C16 | H16 | 104.8° | 109.4° |
C16 | O25 | H25 | 110.6° | 106.8° |
C18 | C17 | O24 | 113.9° | 109.4° |
C18 | C17 | H17 | 107.8° | 109.5° |
C17 | C18 | C19 | 109.8° | 109.5° |
C17 | C18 | C22 | 113.9° | 109.5° |
C17 | C18 | H18 | 108.6° | 109.5° |
O24 | C17 | H17 | 107.8° | 109.5° |
C17 | O24 | H24 | 106.9° | 106.7° |
C19 | C18 | C22 | 107.3° | 109.4° |
C19 | C18 | H18 | 108.6° | 109.4° |
C18 | C19 | O20 | 124.8° | 120.0° |
C18 | C19 | N21 | 112.8° | 120.0° |
C22 | C18 | H18 | 108.6° | 109.5° |
C18 | C22 | C23 | 118.7° | 109.5° |
C18 | C22 | H221 | 108.9° | 109.4° |
C18 | C22 | H222 | 108.9° | 109.4° |
O20 | C19 | N21 | 122.4° | 120.0° |
C19 | N21 | C39 | 131.7° | 120.0° |
C19 | N21 | H21 | 114.1° | 120.0° |
C39 | N21 | H21 | 114.2° | 120.0° |
N21 | C39 | C40 | 121.5° | 110.3° |
N21 | C39 | C46 | 133.6° | 110.3° |
N21 | C39 | H39 | 104.2° | 110.3° |
C23 | C22 | H221 | 108.9° | 109.5° |
C23 | C22 | H222 | 108.9° | 109.5° |
C22 | C23 | H231 | 109.0° | 109.5° |
C22 | C23 | H232 | 109.0° | 109.5° |
H221 | C22 | H222 | 101.2° | 109.5° |
H231 | C23 | H232 | 101.0° | 109.5° |
O27 | C26 | N28 | 124.1° | 120.0° |
C26 | N28 | C29 | 125.7° | 120.0° |
C26 | N28 | H28 | 117.1° | 120.0° |
C29 | N28 | H28 | 117.2° | 120.0° |
N28 | C29 | C30 | 114.1° | 110.3° |
N28 | C29 | C35 | 116.8° | 110.5° |
N28 | C29 | H29 | 108.1° | 110.3° |
C30 | C29 | C35 | 101.1° | 104.9° |
C30 | C29 | H29 | 108.1° | 110.3° |
C29 | C30 | C31 | 110.0° | 109.8° |
C29 | C30 | C32 | 130.4° | 130.3° |
C35 | C29 | H29 | 108.1° | 110.4° |
C29 | C35 | O36 | 109.5° | 110.8° |
C29 | C35 | C38 | 107.9° | 102.6° |
C29 | C35 | H35 | 109.1° | 110.9° |
C31 | C30 | C32 | 119.5° | 119.9° |
C30 | C31 | C37 | 121.5° | 119.8° |
C30 | C31 | C38 | 110.2° | 109.8° |
C30 | C32 | C33 | 119.5° | 120.2° |
C30 | C32 | H32 | 120.2° | 119.9° |
C37 | C31 | C38 | 128.4° | 130.4° |
C31 | C37 | C34 | 118.7° | 120.2° |
C31 | C37 | H37 | 120.7° | 119.9° |
C31 | C38 | C35 | 101.5° | 105.1° |
C31 | C38 | H381 | 115.3° | 110.4° |
C31 | C38 | H382 | 115.3° | 110.3° |
C33 | C32 | H32 | 120.3° | 119.9° |
C32 | C33 | C34 | 119.8° | 120.0° |
C32 | C33 | H33 | 120.1° | 120.0° |
C34 | C33 | H33 | 120.1° | 120.0° |
C33 | C34 | C37 | 121.0° | 119.9° |
C33 | C34 | H34 | 119.5° | 120.0° |
C37 | C34 | H34 | 119.5° | 120.1° |
C34 | C37 | H37 | 120.6° | 119.9° |
O36 | C35 | C38 | 112.1° | 110.8° |
O36 | C35 | H35 | 109.1° | 110.7° |
C35 | O36 | H36 | 109.5° | 106.8° |
C38 | C35 | H35 | 109.1° | 110.8° |
C35 | C38 | H381 | 115.2° | 110.3° |
C35 | C38 | H382 | 115.2° | 110.2° |
H381 | C38 | H382 | 95.2° | 110.4° |
C40 | C39 | C46 | 85.5° | 105.2° |
C40 | C39 | H39 | 104.1° | 110.3° |
C39 | C40 | C41 | 116.4° | 109.7° |
C39 | C40 | C42 | 123.6° | 130.5° |
C46 | C39 | H39 | 104.1° | 110.3° |
C39 | C46 | O47 | 103.7° | 110.9° |
C39 | C46 | C48 | 114.4° | 102.4° |
C39 | C46 | H46 | 106.3° | 110.8° |
C41 | C40 | C42 | 120.0° | 119.8° |
C40 | C41 | C45 | 121.4° | 119.8° |
C40 | C41 | C48 | 110.0° | 109.8° |
C40 | C42 | C43 | 118.9° | 120.3° |
C40 | C42 | H42 | 120.6° | 119.8° |
C45 | C41 | C48 | 128.6° | 130.4° |
C41 | C45 | C44 | 118.6° | 120.3° |
C41 | C45 | H45 | 120.7° | 119.9° |
C41 | C48 | C46 | 104.6° | 105.1° |
C41 | C48 | H481 | 114.1° | 110.3° |
C41 | C48 | H482 | 114.1° | 110.3° |
C43 | C42 | H42 | 120.5° | 119.9° |
C42 | C43 | C44 | 120.5° | 119.9° |
C42 | C43 | H43 | 119.7° | 120.0° |
C44 | C43 | H43 | 119.7° | 120.0° |
C43 | C44 | C45 | 120.5° | 119.9° |
C43 | C44 | H44 | 119.8° | 120.0° |
C45 | C44 | H44 | 119.7° | 120.0° |
C44 | C45 | H45 | 120.7° | 119.9° |
O47 | C46 | C48 | 118.8° | 111.0° |
O47 | C46 | H46 | 106.3° | 110.7° |
C46 | O47 | H47 | 103.7° | 106.9° |
C48 | C46 | H46 | 106.4° | 110.7° |
C46 | C48 | H481 | 114.0° | 110.3° |
C46 | C48 | H482 | 114.0° | 110.4° |
H481 | C48 | H482 | 96.4° | 110.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C02 | C01 | C06 | C23 | 179.6° | 179.7° |
C01 | C02 | C03 | H02 | 180.0° | 180.0° |
C01 | C02 | C03 | C04 | 0.2° | 0.0° |
C01 | C02 | C03 | H03 | 179.8° | 179.9° |
C02 | C01 | C06 | C05 | 0.0° | 0.5° |
C02 | C01 | C06 | H06 | 180.0° | 180.0° |
C02 | C01 | C23 | C22 | 152.7° | 90.0° |
C02 | C01 | C23 | H231 | 27.4° | 30.0° |
C02 | C01 | C23 | H232 | 82.1° | 150.0° |
C06 | C01 | C02 | C03 | 0.1° | 0.3° |
C06 | C01 | C02 | H02 | 179.8° | 179.7° |
C01 | C06 | C05 | C04 | 0.1° | 0.4° |
C01 | C06 | C05 | H06 | 180.0° | 179.5° |
C01 | C06 | C05 | H05 | 179.9° | 179.7° |
C06 | C01 | C23 | C22 | 26.9° | 90.3° |
C06 | C01 | C23 | H231 | 152.2° | 149.7° |
C06 | C01 | C23 | H232 | 98.3° | 29.7° |
C23 | C01 | C02 | C03 | 179.8° | 179.9° |
C23 | C01 | C02 | H02 | 0.2° | 0.0° |
C23 | C01 | C06 | C05 | 179.6° | 179.8° |
C23 | C01 | C06 | H06 | 0.4° | 0.3° |
C01 | C23 | C22 | C18 | 90.6° | 177.9° |
C01 | C23 | C22 | H231 | 125.3° | 120.0° |
C01 | C23 | C22 | H232 | 125.2° | 120.0° |
C01 | C23 | C22 | H221 | 144.2° | 57.9° |
C01 | C23 | C22 | H222 | 34.6° | 62.1° |
C01 | C23 | H231 | H232 | 114.7° | 120.0° |
C02 | C03 | C04 | H03 | 180.0° | 179.9° |
C02 | C03 | C04 | C05 | 0.2° | 0.1° |
C02 | C03 | C04 | H04 | 179.9° | 179.9° |
H02 | C02 | C03 | C04 | 179.7° | 180.0° |
H02 | C02 | C03 | H03 | 0.2° | 0.1° |
C03 | C04 | C05 | H04 | 180.0° | 180.0° |
C03 | C04 | C05 | C06 | 0.0° | 0.1° |
C03 | C04 | C05 | H05 | 180.0° | 179.9° |
H03 | C03 | C04 | C05 | 179.9° | 180.0° |
H03 | C03 | C04 | H04 | 0.1° | 0.0° |
C04 | C05 | C06 | H05 | 180.0° | 179.9° |
C04 | C05 | C06 | H06 | 179.9° | 180.0° |
H04 | C04 | C05 | C06 | 180.0° | 179.9° |
H04 | C04 | C05 | H05 | 0.0° | 0.1° |
H05 | C05 | C06 | H06 | 0.1° | 0.1° |
C08 | C07 | C12 | C13 | 179.7° | 179.7° |
C07 | C08 | C09 | H08 | 180.0° | 180.0° |
C07 | C08 | C09 | C10 | 0.1° | 0.0° |
C07 | C08 | C09 | H09 | 180.0° | 180.0° |
C08 | C07 | C12 | C11 | 0.1° | 0.5° |
C08 | C07 | C12 | H12 | 179.9° | 180.0° |
C08 | C07 | C13 | C14 | 46.0° | 90.0° |
C08 | C07 | C13 | H131 | 171.3° | 30.0° |
C08 | C07 | C13 | H132 | 79.3° | 150.0° |
C12 | C07 | C08 | C09 | 0.0° | 0.2° |
C12 | C07 | C08 | H08 | 180.0° | 179.8° |
C07 | C12 | C11 | C10 | 0.2° | 0.5° |
C07 | C12 | C11 | H12 | 180.0° | 179.5° |
C07 | C12 | C11 | H11 | 179.9° | 179.7° |
C12 | C07 | C13 | C14 | 133.7° | 90.3° |
C12 | C07 | C13 | H131 | 8.4° | 149.8° |
C12 | C07 | C13 | H132 | 101.1° | 29.7° |
C13 | C07 | C08 | C09 | 179.6° | 180.0° |
C13 | C07 | C08 | H08 | 0.4° | 0.0° |
C13 | C07 | C12 | C11 | 179.7° | 179.8° |
C13 | C07 | C12 | H12 | 0.2° | 0.2° |
C07 | C13 | C14 | H131 | 125.3° | 120.0° |
C07 | C13 | C14 | H132 | 125.2° | 120.0° |
C07 | C13 | H131 | H132 | 115.2° | 120.0° |
C07 | C13 | C14 | C15 | 83.2° | 175.1° |
C07 | C13 | C14 | H141 | 151.5° | 55.0° |
C07 | C13 | C14 | H142 | 42.0° | 64.9° |
C08 | C09 | C10 | H09 | 180.0° | 179.9° |
C08 | C09 | C10 | C11 | 0.0° | 0.0° |
C08 | C09 | C10 | H10 | 180.0° | 179.9° |
H08 | C08 | C09 | C10 | 179.9° | 180.0° |
H08 | C08 | C09 | H09 | 0.0° | 0.0° |
C09 | C10 | C11 | H10 | 180.0° | 180.0° |
C09 | C10 | C11 | C12 | 0.1° | 0.2° |
C09 | C10 | C11 | H11 | 179.9° | 180.0° |
H09 | C09 | C10 | C11 | 180.0° | 180.0° |
H09 | C09 | C10 | H10 | 0.0° | 0.0° |
C10 | C11 | C12 | H11 | 180.0° | 179.8° |
C10 | C11 | C12 | H12 | 179.8° | 180.0° |
H10 | C10 | C11 | C12 | 179.9° | 179.8° |
H10 | C10 | C11 | H11 | 0.1° | 0.0° |
H11 | C11 | C12 | H12 | 0.2° | 0.2° |
C14 | C13 | H131 | H132 | 115.2° | 120.0° |
C13 | C14 | C15 | H141 | 125.3° | 120.0° |
C13 | C14 | C15 | H142 | 125.3° | 120.0° |
C13 | C14 | H141 | H142 | 115.6° | 120.0° |
C13 | C14 | C15 | C16 | 155.7° | 176.6° |
C13 | C14 | C15 | C26 | 76.1° | 63.3° |
C13 | C14 | C15 | H15 | 39.3° | 56.6° |
H131 | C13 | C14 | C15 | 42.0° | 64.9° |
H131 | C13 | C14 | H141 | 83.2° | 175.1° |
H131 | C13 | C14 | H142 | 167.3° | 55.1° |
H132 | C13 | C14 | C15 | 151.5° | 55.1° |
H132 | C13 | C14 | H141 | 26.3° | 64.9° |
H132 | C13 | C14 | H142 | 83.2° | 175.1° |
C15 | C14 | H141 | H142 | 115.6° | 120.0° |
C14 | C15 | C16 | C26 | 129.9° | 120.0° |
C14 | C15 | C16 | H15 | 116.4° | 120.0° |
C14 | C15 | C26 | H15 | 115.5° | 119.9° |
C14 | C15 | C16 | C17 | 136.8° | 67.7° |
C14 | C15 | C16 | O25 | 95.0° | 52.2° |
C14 | C15 | C16 | H16 | 17.5° | 172.2° |
C14 | C15 | C26 | O27 | 65.2° | 102.0° |
C14 | C15 | C26 | N28 | 112.9° | 78.1° |
H141 | C14 | C15 | C16 | 30.5° | 56.6° |
H141 | C14 | C15 | C26 | 158.6° | 176.6° |
H141 | C14 | C15 | H15 | 85.9° | 63.4° |
H142 | C14 | C15 | C16 | 79.0° | 63.4° |
H142 | C14 | C15 | C26 | 49.2° | 56.6° |
H142 | C14 | C15 | H15 | 164.6° | 176.6° |
C16 | C15 | C26 | H15 | 113.7° | 120.0° |
C15 | C16 | C17 | O25 | 129.8° | 119.9° |
C15 | C16 | C17 | H16 | 119.3° | 120.1° |
C15 | C16 | O25 | H16 | 112.5° | 120.0° |
C15 | C16 | C17 | C18 | 164.4° | 175.2° |
C15 | C16 | C17 | O24 | 70.0° | 64.8° |
C15 | C16 | C17 | H17 | 45.7° | 55.2° |
C15 | C16 | O25 | H25 | 180.0° | 59.9° |
C16 | C15 | C26 | O27 | 65.6° | 18.0° |
C16 | C15 | C26 | N28 | 116.3° | 161.9° |
C26 | C15 | C16 | C17 | 6.9° | 172.2° |
C26 | C15 | C16 | O25 | 135.2° | 67.8° |
C26 | C15 | C16 | H16 | 112.4° | 52.2° |
C15 | C26 | O27 | N28 | 178.0° | 179.9° |
C15 | C26 | N28 | C29 | 178.2° | 177.5° |
C15 | C26 | N28 | H28 | 1.8° | 2.5° |
H15 | C15 | C16 | C17 | 106.8° | 52.3° |
H15 | C15 | C16 | O25 | 21.5° | 172.2° |
H15 | C15 | C16 | H16 | 133.9° | 67.8° |
H15 | C15 | C26 | O27 | 179.3° | 138.1° |
H15 | C15 | C26 | N28 | 2.6° | 41.9° |
C17 | C16 | O25 | H16 | 111.0° | 120.0° |
C16 | C17 | C18 | O24 | 121.7° | 120.1° |
C16 | C17 | C18 | H17 | 118.7° | 120.0° |
C16 | C17 | O24 | H17 | 115.7° | 120.0° |
C16 | C17 | C18 | C19 | 71.4° | 174.4° |
C16 | C17 | C18 | C22 | 168.3° | 65.6° |
C16 | C17 | C18 | H18 | 47.2° | 54.4° |
C16 | C17 | O24 | H24 | 180.0° | 60.0° |
C17 | C16 | O25 | H25 | 43.4° | 60.0° |
O25 | C16 | C17 | C18 | 65.8° | 64.9° |
O25 | C16 | C17 | O24 | 59.8° | 55.1° |
O25 | C16 | C17 | H17 | 175.5° | 175.1° |
H16 | C16 | C17 | C18 | 45.1° | 55.1° |
H16 | C16 | C17 | O24 | 170.7° | 175.1° |
H16 | C16 | C17 | H17 | 73.6° | 64.9° |
H16 | C16 | O25 | H25 | 67.5° | 180.0° |
C18 | C17 | O24 | H17 | 119.6° | 120.0° |
C17 | C18 | C19 | C22 | 124.2° | 120.0° |
C17 | C18 | C19 | H18 | 118.6° | 120.0° |
C17 | C18 | C22 | H18 | 121.1° | 120.0° |
C17 | C18 | C19 | O20 | 39.0° | 20.2° |
C17 | C18 | C19 | N21 | 142.6° | 159.8° |
C17 | C18 | C22 | C23 | 158.3° | 179.5° |
C17 | C18 | C22 | H221 | 33.0° | 59.4° |
C17 | C18 | C22 | H222 | 76.4° | 60.5° |
C18 | C17 | O24 | H24 | 55.3° | 60.1° |
O24 | C17 | C18 | C19 | 166.9° | 65.6° |
O24 | C17 | C18 | C22 | 46.6° | 54.5° |
O24 | C17 | C18 | H18 | 74.5° | 174.5° |
H17 | C17 | C18 | C19 | 47.3° | 54.4° |
H17 | C17 | C18 | C22 | 73.0° | 174.4° |
H17 | C17 | C18 | H18 | 165.9° | 65.5° |
H17 | C17 | O24 | H24 | 64.3° | 180.0° |
C19 | C18 | C22 | H18 | 117.2° | 119.9° |
C18 | C19 | O20 | N21 | 178.3° | 180.0° |
C18 | C19 | N21 | C39 | 178.3° | 177.0° |
C18 | C19 | N21 | H21 | 1.7° | 3.0° |
C19 | C18 | C22 | C23 | 80.0° | 60.5° |
C19 | C18 | C22 | H221 | 154.7° | 179.5° |
C19 | C18 | C22 | H222 | 45.2° | 59.5° |
C22 | C18 | C19 | O20 | 85.2° | 99.8° |
C22 | C18 | C19 | N21 | 93.2° | 80.2° |
C18 | C22 | C23 | H221 | 125.2° | 120.0° |
C18 | C22 | C23 | H222 | 125.3° | 119.9° |
C18 | C22 | H221 | H222 | 114.6° | 119.9° |
C18 | C22 | C23 | H231 | 34.7° | 62.1° |
C18 | C22 | C23 | H232 | 144.1° | 57.9° |
H18 | C18 | C19 | O20 | 157.6° | 140.2° |
H18 | C18 | C19 | N21 | 23.9° | 39.8° |
H18 | C18 | C22 | C23 | 37.2° | 59.5° |
H18 | C18 | C22 | H221 | 88.1° | 60.6° |
H18 | C18 | C22 | H222 | 162.4° | 179.4° |
O20 | C19 | N21 | C39 | 0.3° | 3.0° |
O20 | C19 | N21 | H21 | 179.8° | 177.0° |
C19 | N21 | C39 | H21 | 180.0° | 179.9° |
C19 | N21 | C39 | C40 | 89.6° | 92.8° |
C19 | N21 | C39 | C46 | 153.2° | 151.4° |
C19 | N21 | C39 | H39 | 27.2° | 29.3° |
N21 | C39 | C40 | C46 | 139.7° | 118.9° |
N21 | C39 | C40 | H39 | 116.8° | 122.1° |
N21 | C39 | C46 | H39 | 126.0° | 122.1° |
N21 | C39 | C40 | C41 | 155.3° | 136.0° |
N21 | C39 | C40 | C42 | 24.6° | 43.7° |
N21 | C39 | C46 | O47 | 27.1° | 26.8° |
N21 | C39 | C46 | C48 | 158.2° | 145.3° |
N21 | C39 | C46 | H46 | 84.8° | 96.6° |
H21 | N21 | C39 | C40 | 90.4° | 87.2° |
H21 | N21 | C39 | C46 | 26.8° | 28.6° |
H21 | N21 | C39 | H39 | 152.8° | 150.7° |
C23 | C22 | H221 | H222 | 114.6° | 120.0° |
C22 | C23 | H231 | H232 | 114.7° | 120.0° |
H221 | C22 | C23 | H231 | 90.6° | 177.9° |
H221 | C22 | C23 | H232 | 18.9° | 62.1° |
H222 | C22 | C23 | H231 | 159.9° | 57.9° |
H222 | C22 | C23 | H232 | 90.6° | 177.9° |
O27 | C26 | N28 | C29 | 0.2° | 2.6° |
O27 | C26 | N28 | H28 | 179.8° | 177.4° |
C26 | N28 | C29 | H28 | 180.0° | 180.0° |
C26 | N28 | C29 | C30 | 103.1° | 91.5° |
C26 | N28 | C29 | C35 | 139.3° | 153.0° |
C26 | N28 | C29 | H29 | 17.2° | 30.6° |
N28 | C29 | C30 | C35 | 126.3° | 119.0° |
N28 | C29 | C30 | H29 | 120.3° | 122.1° |
N28 | C29 | C35 | H29 | 122.1° | 122.3° |
N28 | C29 | C30 | C31 | 144.3° | 136.2° |
N28 | C29 | C30 | C32 | 35.8° | 43.8° |
N28 | C29 | C35 | O36 | 31.7° | 26.9° |
N28 | C29 | C35 | C38 | 153.9° | 145.2° |
N28 | C29 | C35 | H35 | 87.7° | 96.4° |
H28 | N28 | C29 | C30 | 76.9° | 88.5° |
H28 | N28 | C29 | C35 | 40.7° | 27.0° |
H28 | N28 | C29 | H29 | 162.8° | 149.4° |
C30 | C29 | C35 | H29 | 113.4° | 118.8° |
C29 | C30 | C31 | C32 | 180.0° | 180.0° |
C29 | C30 | C31 | C37 | 179.9° | 180.0° |
C29 | C30 | C31 | C38 | 0.1° | 0.0° |
C29 | C30 | C32 | C33 | 180.0° | 180.0° |
C29 | C30 | C32 | H32 | 0.0° | 0.0° |
C30 | C29 | C35 | O36 | 92.7° | 92.0° |
C30 | C29 | C35 | C38 | 29.5° | 26.3° |
C30 | C29 | C35 | H35 | 147.9° | 144.7° |
C35 | C29 | C30 | C31 | 18.0° | 17.2° |
C35 | C29 | C30 | C32 | 162.0° | 162.8° |
C29 | C35 | C38 | C31 | 29.7° | 26.4° |
C29 | C35 | O36 | C38 | 119.7° | 113.2° |
C29 | C35 | O36 | H35 | 119.4° | 123.4° |
C29 | C35 | C38 | H35 | 118.4° | 118.4° |
C29 | C35 | O36 | H36 | 180.0° | 177.3° |
C29 | C35 | C38 | H381 | 95.6° | 145.4° |
C29 | C35 | C38 | H382 | 155.0° | 92.5° |
H29 | C29 | C30 | C31 | 95.4° | 101.7° |
H29 | C29 | C30 | C32 | 84.5° | 78.3° |
H29 | C29 | C35 | O36 | 153.8° | 149.2° |
H29 | C29 | C35 | C38 | 83.9° | 92.5° |
H29 | C29 | C35 | H35 | 34.5° | 25.9° |
C30 | C31 | C37 | C38 | 180.0° | 180.0° |
C31 | C30 | C32 | C33 | 0.1° | 0.0° |
C31 | C30 | C32 | H32 | 179.9° | 180.0° |
C30 | C31 | C37 | C34 | 0.1° | 0.0° |
C30 | C31 | C38 | C35 | 18.1° | 17.1° |
C30 | C31 | C37 | H37 | 179.9° | 180.0° |
C30 | C31 | C38 | H381 | 107.2° | 136.1° |
C30 | C31 | C38 | H382 | 143.3° | 101.7° |
C32 | C30 | C31 | C37 | 0.1° | 0.0° |
C32 | C30 | C31 | C38 | 179.9° | 180.0° |
C30 | C32 | C33 | H32 | 180.0° | 180.0° |
C30 | C32 | C33 | C34 | 0.0° | 0.0° |
C30 | C32 | C33 | H33 | 180.0° | 180.0° |
C31 | C37 | C34 | C33 | 0.0° | 0.1° |
C31 | C37 | C34 | H37 | 180.0° | 179.9° |
C31 | C37 | C34 | H34 | 180.0° | 180.0° |
C37 | C31 | C38 | C35 | 161.9° | 162.8° |
C37 | C31 | C38 | H381 | 72.8° | 43.9° |
C37 | C31 | C38 | H382 | 36.7° | 78.3° |
C38 | C31 | C37 | C34 | 180.0° | 179.9° |
C31 | C38 | C35 | O36 | 91.0° | 91.9° |
C31 | C38 | C35 | H381 | 125.3° | 119.0° |
C31 | C38 | C35 | H382 | 125.3° | 118.9° |
C31 | C38 | C35 | H35 | 148.1° | 144.8° |
C38 | C31 | C37 | H37 | 0.0° | 0.0° |
C31 | C38 | H381 | H382 | 121.1° | 122.2° |
C32 | C33 | C34 | H33 | 180.0° | 179.9° |
C32 | C33 | C34 | C37 | 0.1° | 0.1° |
C32 | C33 | C34 | H34 | 179.9° | 180.0° |
H32 | C32 | C33 | C34 | 180.0° | 180.0° |
H32 | C32 | C33 | H33 | 0.0° | 0.0° |
C33 | C34 | C37 | H34 | 180.0° | 180.0° |
C33 | C34 | C37 | H37 | 180.0° | 180.0° |
H33 | C33 | C34 | C37 | 179.9° | 180.0° |
H33 | C33 | C34 | H34 | 0.1° | 0.0° |
H34 | C34 | C37 | H37 | 0.0° | 0.0° |
O36 | C35 | C38 | H35 | 120.9° | 123.3° |
O36 | C35 | C38 | H381 | 143.8° | 27.1° |
O36 | C35 | C38 | H382 | 34.3° | 149.2° |
C38 | C35 | O36 | H36 | 60.3° | 64.1° |
C35 | C38 | H381 | H382 | 121.1° | 122.1° |
H35 | C35 | O36 | H36 | 60.6° | 59.3° |
H35 | C35 | C38 | H381 | 22.8° | 96.2° |
H35 | C35 | C38 | H382 | 86.6° | 25.9° |
C40 | C39 | C46 | H39 | 103.5° | 119.0° |
C39 | C40 | C41 | C42 | 179.9° | 179.8° |
C39 | C40 | C41 | C45 | 179.9° | 180.0° |
C39 | C40 | C41 | C48 | 0.0° | 0.2° |
C39 | C40 | C42 | C43 | 179.9° | 179.9° |
C39 | C40 | C42 | H42 | 0.1° | 0.2° |
C40 | C39 | C46 | O47 | 103.4° | 92.1° |
C40 | C39 | C46 | C48 | 27.7° | 26.3° |
C40 | C39 | C46 | H46 | 144.7° | 144.5° |
C46 | C39 | C40 | C41 | 15.6° | 17.1° |
C46 | C39 | C40 | C42 | 164.4° | 162.7° |
C39 | C46 | C48 | C41 | 32.3° | 26.4° |
C39 | C46 | O47 | C48 | 128.3° | 113.1° |
C39 | C46 | O47 | H46 | 111.9° | 123.5° |
C39 | C46 | C48 | H46 | 117.1° | 118.2° |
C39 | C46 | O47 | H47 | 180.0° | 180.0° |
C39 | C46 | C48 | H481 | 93.0° | 145.3° |
C39 | C46 | C48 | H482 | 157.6° | 92.5° |
H39 | C39 | C40 | C41 | 87.9° | 101.9° |
H39 | C39 | C40 | C42 | 92.2° | 78.3° |
H39 | C39 | C46 | O47 | 153.2° | 148.9° |
H39 | C39 | C46 | C48 | 75.8° | 92.7° |
H39 | C39 | C46 | H46 | 41.3° | 25.5° |
C40 | C41 | C45 | C48 | 179.9° | 179.8° |
C41 | C40 | C42 | C43 | 0.1° | 0.2° |
C41 | C40 | C42 | H42 | 179.9° | 179.9° |
C40 | C41 | C45 | C44 | 0.1° | 0.2° |
C40 | C41 | C45 | H45 | 180.0° | 179.9° |
C40 | C41 | C48 | C46 | 18.9° | 17.3° |
C40 | C41 | C48 | H481 | 106.4° | 136.2° |
C40 | C41 | C48 | H482 | 144.2° | 101.6° |
C42 | C40 | C41 | C45 | 0.0° | 0.3° |
C42 | C40 | C41 | C48 | 179.9° | 179.9° |
C40 | C42 | C43 | H42 | 180.0° | 179.9° |
C40 | C42 | C43 | C44 | 0.1° | 0.1° |
C40 | C42 | C43 | H43 | 179.9° | 179.9° |
C41 | C45 | C44 | C43 | 0.0° | 0.1° |
C41 | C45 | C44 | H45 | 180.0° | 179.9° |
C41 | C45 | C44 | H44 | 179.9° | 179.9° |
C45 | C41 | C48 | C46 | 161.0° | 162.9° |
C45 | C41 | C48 | H481 | 73.7° | 44.0° |
C45 | C41 | C48 | H482 | 35.8° | 78.1° |
C48 | C41 | C45 | C44 | 179.8° | 180.0° |
C48 | C41 | C45 | H45 | 0.1° | 0.1° |
C41 | C48 | C46 | O47 | 90.9° | 92.0° |
C41 | C48 | C46 | H481 | 125.3° | 118.9° |
C41 | C48 | C46 | H482 | 125.3° | 118.9° |
C41 | C48 | C46 | H46 | 149.3° | 144.6° |
C41 | C48 | H481 | H482 | 120.0° | 122.1° |
C42 | C43 | C44 | H43 | 180.0° | 180.0° |
C42 | C43 | C44 | C45 | 0.0° | 0.0° |
C42 | C43 | C44 | H44 | 180.0° | 180.0° |
H42 | C42 | C43 | C44 | 179.9° | 180.0° |
H42 | C42 | C43 | H43 | 0.1° | 0.0° |
C43 | C44 | C45 | H44 | 180.0° | 180.0° |
C43 | C44 | C45 | H45 | 180.0° | 180.0° |
H43 | C43 | C44 | C45 | 180.0° | 180.0° |
H43 | C43 | C44 | H44 | 0.0° | 0.1° |
H44 | C44 | C45 | H45 | 0.1° | 0.0° |
O47 | C46 | C48 | H46 | 119.7° | 123.4° |
O47 | C46 | C48 | H481 | 143.8° | 26.9° |
O47 | C46 | C48 | H482 | 34.4° | 149.1° |
C48 | C46 | O47 | H47 | 51.6° | 66.9° |
C46 | C48 | H481 | H482 | 119.9° | 122.2° |
H46 | C46 | O47 | H47 | 68.1° | 56.5° |
H46 | C46 | C48 | H481 | 24.1° | 96.5° |
H46 | C46 | C48 | H482 | 85.4° | 25.7° |