A1AC5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N2 | sing | 1.46Å | 1.46Å | |
N2 | C3 | sing | 1.35Å | 1.38Å | |
C3 | O4 | doub | 1.21Å | 1.26Å | |
C3 | C5 | sing | 1.51Å | 1.54Å | |
C5 | N7 | sing | 1.47Å | 1.46Å | |
C5 | C41 | sing | 1.53Å | 1.50Å | |
N7 | C8 | sing | 1.35Å | 1.36Å | |
C8 | O9 | doub | 1.21Å | 1.20Å | |
C8 | C10 | sing | 1.51Å | 1.49Å | |
C10 | C12 | sing | 1.55Å | 1.54Å | |
C10 | C15 | sing | 1.54Å | 1.53Å | |
C12 | N13 | sing | 1.48Å | 1.47Å | |
N13 | C14 | sing | 1.47Å | 1.46Å | |
N13 | C27 | sing | 1.35Å | 1.39Å | |
C14 | C15 | sing | 1.53Å | 1.53Å | |
C15 | C16 | sing | 1.53Å | 1.56Å | |
C15 | C18 | sing | 1.53Å | 1.56Å | |
C16 | N17 | sing | 1.48Å | 1.45Å | |
N17 | C18 | sing | 1.48Å | 1.44Å | |
N17 | C19 | sing | 1.35Å | 1.37Å | |
C19 | O20 | doub | 1.21Å | 1.23Å | |
C19 | C21 | sing | 1.51Å | 1.47Å | |
C21 | C23 | sing | 1.53Å | 1.51Å | |
C21 | C24 | sing | 1.53Å | 1.52Å | |
C23 | C24 | sing | 1.53Å | 1.52Å | |
C24 | C25 | sing | 1.53Å | 1.49Å | |
C24 | C26 | sing | 1.53Å | 1.49Å | |
C27 | O28 | doub | 1.22Å | 1.23Å | |
C27 | C29 | sing | 1.47Å | 1.43Å | |
C29 | C30 | sing | 1.41Å | 1.40Å | Aromatic |
C29 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
C30 | N31 | doub | 1.30Å | 1.34Å | Aromatic |
N31 | N32 | sing | 1.40Å | 1.36Å | Aromatic |
N32 | C33 | sing | 1.47Å | 1.46Å | |
N32 | C40 | sing | 1.34Å | 1.36Å | Aromatic |
C33 | C34 | sing | 1.51Å | 1.53Å | |
C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
C34 | C39 | sing | 1.38Å | 1.41Å | Aromatic |
C35 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
C37 | C38 | sing | 1.38Å | 1.41Å | Aromatic |
C38 | C39 | doub | 1.38Å | 1.41Å | Aromatic |
C41 | C43 | sing | 1.53Å | 1.50Å | |
C41 | O44 | sing | 1.43Å | 1.40Å | |
O44 | C45 | sing | 1.43Å | 1.40Å | |
C45 | C46 | sing | 1.53Å | 1.51Å | |
C46 | C47 | sing | 1.53Å | 1.51Å | |
C47 | C48 | sing | 1.53Å | 1.53Å | |
C47 | C52 | sing | 1.53Å | 1.53Å | |
C48 | C49 | sing | 1.53Å | 1.53Å | |
C49 | C50 | sing | 1.53Å | 1.53Å | |
C50 | C51 | sing | 1.53Å | 1.54Å | |
C51 | C52 | sing | 1.53Å | 1.54Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C12 | H122 | sing | 1.09Å | 1.10Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C14 | H142 | sing | 1.09Å | 1.10Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
C16 | H162 | sing | 1.09Å | 1.10Å | |
C16 | H161 | sing | 1.09Å | 1.10Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C18 | H182 | sing | 1.09Å | 1.10Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C23 | H232 | sing | 1.09Å | 1.10Å | |
C25 | H252 | sing | 1.09Å | 1.10Å | |
C25 | H251 | sing | 1.09Å | 1.10Å | |
C25 | H253 | sing | 1.09Å | 1.10Å | |
C26 | H262 | sing | 1.09Å | 1.10Å | |
C26 | H263 | sing | 1.09Å | 1.10Å | |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C30 | H301 | sing | 1.08Å | 1.08Å | |
C33 | H332 | sing | 1.09Å | 1.10Å | |
C33 | H331 | sing | 1.09Å | 1.10Å | |
C35 | H351 | sing | 1.08Å | 1.08Å | |
C36 | H361 | sing | 1.08Å | 1.08Å | |
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 | 1.09Å | 1.10Å | |
C43 | H432 | sing | 1.09Å | 1.10Å | |
C43 | H431 | sing | 1.09Å | 1.10Å | |
C43 | H433 | sing | 1.09Å | 1.10Å | |
C45 | H452 | sing | 1.09Å | 1.10Å | |
C45 | H451 | sing | 1.09Å | 1.10Å | |
C46 | H461 | sing | 1.09Å | 1.10Å | |
C46 | H462 | sing | 1.09Å | 1.10Å | |
C47 | H471 | sing | 1.09Å | 1.10Å | |
C48 | H481 | sing | 1.09Å | 1.10Å | |
C48 | H482 | sing | 1.09Å | 1.10Å | |
C49 | H492 | sing | 1.09Å | 1.10Å | |
C49 | H491 | sing | 1.09Å | 1.10Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C50 | H501 | sing | 1.09Å | 1.10Å | |
C50 | H502 | sing | 1.09Å | 1.10Å | |
C51 | H511 | sing | 1.09Å | 1.10Å | |
C51 | H512 | sing | 1.09Å | 1.10Å | |
C52 | H521 | sing | 1.09Å | 1.10Å | |
C52 | H522 | sing | 1.09Å | 1.10Å | |
N2 | H21 | sing | 0.97Å | 1.00Å | |
N7 | H71 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | N2 | C3 | 122.4° | 120.0° |
N2 | C1 | H11 | 109.5° | 109.5° |
N2 | C1 | H12 | 109.5° | 109.5° |
N2 | C1 | H13 | 109.5° | 109.4° |
C1 | N2 | H21 | 118.8° | 120.1° |
N2 | C3 | O4 | 122.7° | 119.9° |
N2 | C3 | C5 | 112.7° | 120.0° |
C3 | N2 | H21 | 118.8° | 119.9° |
O4 | C3 | C5 | 124.5° | 120.1° |
C3 | C5 | N7 | 96.7° | 109.5° |
C3 | C5 | C41 | 112.7° | 109.5° |
C3 | C5 | H51 | 110.5° | 109.5° |
N7 | C5 | C41 | 113.6° | 109.4° |
C5 | N7 | C8 | 125.7° | 120.0° |
N7 | C5 | H51 | 111.6° | 109.5° |
C5 | N7 | H71 | 117.1° | 120.0° |
C5 | C41 | C43 | 116.8° | 109.5° |
C5 | C41 | O44 | 104.3° | 109.5° |
C5 | C41 | H411 | 109.4° | 109.5° |
C41 | C5 | H51 | 111.0° | 109.5° |
N7 | C8 | O9 | 121.6° | 120.0° |
N7 | C8 | C10 | 114.3° | 120.0° |
C8 | N7 | H71 | 117.1° | 120.0° |
O9 | C8 | C10 | 124.1° | 120.0° |
C8 | C10 | C12 | 104.9° | 111.0° |
C8 | C10 | C15 | 120.8° | 111.0° |
C8 | C10 | H101 | 110.5° | 110.9° |
C12 | C10 | C15 | 99.9° | 101.4° |
C10 | C12 | N13 | 103.6° | 105.0° |
C12 | C10 | H101 | 109.8° | 111.1° |
C10 | C12 | H122 | 110.9° | 110.3° |
C10 | C12 | H121 | 110.9° | 110.3° |
C10 | C15 | C14 | 103.2° | 104.6° |
C10 | C15 | C16 | 117.5° | 115.9° |
C10 | C15 | C18 | 116.8° | 115.9° |
C15 | C10 | H101 | 110.0° | 111.0° |
C12 | N13 | C14 | 111.6° | 108.6° |
C12 | N13 | C27 | 118.8° | 125.7° |
N13 | C12 | H122 | 110.9° | 110.4° |
N13 | C12 | H121 | 110.9° | 110.3° |
C14 | N13 | C27 | 129.6° | 125.7° |
N13 | C14 | C15 | 101.5° | 106.8° |
N13 | C14 | H142 | 111.4° | 109.9° |
N13 | C14 | H141 | 111.4° | 110.0° |
N13 | C27 | O28 | 122.5° | 120.0° |
N13 | C27 | C29 | 118.9° | 120.0° |
C14 | C15 | C16 | 112.9° | 116.4° |
C14 | C15 | C18 | 117.8° | 116.4° |
C15 | C14 | H142 | 111.4° | 110.0° |
C15 | C14 | H141 | 111.4° | 110.0° |
C16 | C15 | C18 | 89.2° | 87.7° |
C15 | C16 | N17 | 85.5° | 85.7° |
C15 | C16 | H162 | 115.1° | 113.9° |
C15 | C16 | H161 | 115.1° | 113.8° |
C15 | C18 | N17 | 85.6° | 85.7° |
C15 | C18 | H181 | 115.1° | 113.8° |
C15 | C18 | H182 | 115.1° | 113.8° |
C16 | N17 | C18 | 98.5° | 91.3° |
C16 | N17 | C19 | 135.2° | 134.4° |
N17 | C16 | H162 | 115.1° | 113.9° |
N17 | C16 | H161 | 115.1° | 113.8° |
C18 | N17 | C19 | 126.3° | 134.4° |
N17 | C18 | H181 | 115.1° | 113.8° |
N17 | C18 | H182 | 115.1° | 113.9° |
N17 | C19 | O20 | 121.9° | 120.0° |
N17 | C19 | C21 | 114.6° | 120.0° |
O20 | C19 | C21 | 123.4° | 120.0° |
C19 | C21 | C23 | 119.3° | 117.5° |
C19 | C21 | C24 | 119.4° | 117.5° |
C19 | C21 | H211 | 115.9° | 115.6° |
C23 | C21 | C24 | 60.4° | 60.0° |
C21 | C23 | C24 | 60.2° | 60.0° |
C23 | C21 | H211 | 115.3° | 117.5° |
C21 | C23 | H231 | 120.0° | 117.5° |
C21 | C23 | H232 | 120.0° | 117.5° |
C21 | C24 | C23 | 59.4° | 60.0° |
C21 | C24 | C25 | 123.4° | 117.5° |
C21 | C24 | C26 | 115.1° | 117.5° |
C24 | C21 | H211 | 115.1° | 117.5° |
C23 | C24 | C25 | 119.4° | 117.5° |
C23 | C24 | C26 | 114.2° | 117.5° |
C24 | C23 | H231 | 120.0° | 117.5° |
C24 | C23 | H232 | 120.0° | 117.5° |
C25 | C24 | C26 | 114.3° | 115.6° |
C24 | C25 | H252 | 109.5° | 109.4° |
C24 | C25 | H251 | 109.4° | 109.5° |
C24 | C25 | H253 | 109.5° | 109.5° |
C24 | C26 | H262 | 109.5° | 109.5° |
C24 | C26 | H263 | 109.5° | 109.5° |
C24 | C26 | H261 | 109.5° | 109.5° |
O28 | C27 | C29 | 118.5° | 120.0° |
C27 | C29 | C30 | 126.3° | 126.4° |
C27 | C29 | C40 | 130.0° | 126.4° |
C30 | C29 | C40 | 103.7° | 107.2° |
C29 | C30 | N31 | 113.2° | 108.0° |
C29 | C30 | H301 | 123.4° | 126.0° |
C29 | C40 | N32 | 107.3° | 107.4° |
C29 | C40 | H401 | 126.3° | 126.3° |
C30 | N31 | N32 | 103.5° | 108.9° |
N31 | C30 | H301 | 123.4° | 126.0° |
N31 | N32 | C33 | 121.8° | 125.7° |
N31 | N32 | C40 | 112.3° | 108.5° |
C33 | N32 | C40 | 125.8° | 125.8° |
N32 | C33 | C34 | 108.8° | 109.5° |
N32 | C33 | H332 | 109.6° | 109.5° |
N32 | C33 | H331 | 109.6° | 109.5° |
N32 | C40 | H401 | 126.4° | 126.3° |
C33 | C34 | C35 | 122.1° | 120.0° |
C33 | C34 | C39 | 121.7° | 120.0° |
C34 | C33 | H332 | 109.6° | 109.5° |
C34 | C33 | H331 | 109.6° | 109.5° |
C35 | C34 | C39 | 116.1° | 120.0° |
C34 | C35 | C36 | 123.4° | 120.0° |
C34 | C35 | H351 | 118.3° | 120.0° |
C34 | C39 | C38 | 120.7° | 120.0° |
C34 | C39 | H391 | 119.6° | 120.0° |
C35 | C36 | C37 | 119.8° | 120.0° |
C36 | C35 | H351 | 118.3° | 120.0° |
C35 | C36 | H361 | 120.1° | 120.0° |
C36 | C37 | C38 | 117.6° | 120.0° |
C37 | C36 | H361 | 120.1° | 120.0° |
C36 | C37 | H371 | 121.2° | 120.1° |
C37 | C38 | C39 | 122.3° | 120.0° |
C38 | C37 | H371 | 121.2° | 120.0° |
C37 | C38 | H381 | 118.8° | 120.0° |
C39 | C38 | H381 | 118.8° | 120.1° |
C38 | C39 | H391 | 119.6° | 119.9° |
C43 | C41 | O44 | 106.0° | 109.4° |
C43 | C41 | H411 | 109.4° | 109.5° |
C41 | C43 | H432 | 109.5° | 109.5° |
C41 | C43 | H431 | 109.5° | 109.5° |
C41 | C43 | H433 | 109.5° | 109.5° |
C41 | O44 | C45 | 109.6° | 114.0° |
O44 | C41 | H411 | 110.8° | 109.5° |
O44 | C45 | C46 | 105.4° | 109.5° |
O44 | C45 | H452 | 110.5° | 109.5° |
O44 | C45 | H451 | 110.5° | 109.5° |
C45 | C46 | C47 | 118.9° | 109.5° |
C46 | C45 | H452 | 110.5° | 109.4° |
C46 | C45 | H451 | 110.5° | 109.5° |
C45 | C46 | H461 | 107.1° | 109.5° |
C45 | C46 | H462 | 107.1° | 109.4° |
C46 | C47 | C48 | 118.8° | 109.5° |
C46 | C47 | C52 | 114.0° | 109.5° |
C47 | C46 | H461 | 107.1° | 109.5° |
C47 | C46 | H462 | 107.1° | 109.5° |
C46 | C47 | H471 | 105.1° | 109.5° |
C48 | C47 | C52 | 107.9° | 109.5° |
C47 | C48 | C49 | 105.4° | 109.5° |
C48 | C47 | H471 | 104.8° | 109.5° |
C47 | C48 | H481 | 110.5° | 109.4° |
C47 | C48 | H482 | 110.5° | 109.4° |
C47 | C52 | C51 | 108.4° | 109.5° |
C52 | C47 | H471 | 104.9° | 109.5° |
C47 | C52 | H521 | 109.7° | 109.5° |
C47 | C52 | H522 | 109.7° | 109.5° |
C48 | C49 | C50 | 114.5° | 109.5° |
C49 | C48 | H481 | 110.5° | 109.5° |
C49 | C48 | H482 | 110.5° | 109.5° |
C48 | C49 | H492 | 108.2° | 109.5° |
C48 | C49 | H491 | 108.2° | 109.5° |
C49 | C50 | C51 | 114.2° | 109.5° |
C50 | C49 | H492 | 108.2° | 109.5° |
C50 | C49 | H491 | 108.2° | 109.4° |
C49 | C50 | H501 | 108.3° | 109.4° |
C49 | C50 | H502 | 108.3° | 109.5° |
C50 | C51 | C52 | 115.6° | 109.5° |
C51 | C50 | H501 | 108.3° | 109.5° |
C51 | C50 | H502 | 108.3° | 109.4° |
C50 | C51 | H511 | 107.9° | 109.5° |
C50 | C51 | H512 | 107.9° | 109.4° |
C52 | C51 | H511 | 107.9° | 109.5° |
C52 | C51 | H512 | 107.9° | 109.5° |
C51 | C52 | H521 | 109.7° | 109.4° |
C51 | C52 | H522 | 109.7° | 109.4° |
H11 | C1 | H12 | 109.5° | 109.5° |
H11 | C1 | H13 | 109.4° | 109.5° |
H12 | C1 | H13 | 109.5° | 109.5° |
H122 | C12 | H121 | 109.5° | 110.4° |
H142 | C14 | H141 | 109.5° | 110.0° |
H162 | C16 | H161 | 109.5° | 113.0° |
H181 | C18 | H182 | 109.5° | 113.1° |
H231 | C23 | H232 | 109.5° | 115.6° |
H252 | C25 | H251 | 109.4° | 109.4° |
H252 | C25 | H253 | 109.5° | 109.5° |
H251 | C25 | H253 | 109.5° | 109.4° |
H262 | C26 | H263 | 109.5° | 109.4° |
H262 | C26 | H261 | 109.4° | 109.5° |
H263 | C26 | H261 | 109.5° | 109.5° |
H332 | C33 | H331 | 109.5° | 109.4° |
H432 | C43 | H431 | 109.4° | 109.5° |
H432 | C43 | H433 | 109.5° | 109.4° |
H431 | C43 | H433 | 109.5° | 109.5° |
H452 | C45 | H451 | 109.5° | 109.4° |
H461 | C46 | H462 | 109.5° | 109.5° |
H481 | C48 | H482 | 109.4° | 109.5° |
H492 | C49 | H491 | 109.5° | 109.5° |
H501 | C50 | H502 | 109.5° | 109.5° |
H511 | C51 | H512 | 109.5° | 109.5° |
H521 | C52 | H522 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | N2 | C3 | H21 | 180.0° | 179.9° |
C1 | N2 | C3 | O4 | 2.0° | 0.0° |
C1 | N2 | C3 | C5 | 180.0° | 180.0° |
N2 | C1 | H11 | H12 | 120.0° | 120.0° |
N2 | C1 | H11 | H13 | 120.0° | 120.0° |
N2 | C1 | H12 | H13 | 120.0° | 120.0° |
N2 | C3 | O4 | C5 | 177.8° | 180.0° |
N2 | C3 | C5 | N7 | 162.1° | 180.0° |
N2 | C3 | C5 | C41 | 78.8° | 60.0° |
C3 | N2 | C1 | H11 | 180.0° | 60.0° |
C3 | N2 | C1 | H12 | 60.0° | 60.0° |
C3 | N2 | C1 | H13 | 60.0° | 180.0° |
N2 | C3 | C5 | H51 | 46.0° | 60.0° |
O4 | C3 | C5 | N7 | 15.9° | 0.0° |
O4 | C3 | C5 | C41 | 103.2° | 120.0° |
O4 | C3 | C5 | H51 | 132.0° | 120.0° |
O4 | C3 | N2 | H21 | 178.0° | 180.0° |
C3 | C5 | N7 | C41 | 118.4° | 120.0° |
C3 | C5 | N7 | H51 | 115.2° | 120.1° |
C3 | C5 | C41 | H51 | 124.5° | 120.1° |
C3 | C5 | N7 | C8 | 145.2° | 85.0° |
C3 | C5 | C41 | C43 | 157.9° | 175.0° |
C3 | C5 | C41 | O44 | 41.3° | 55.0° |
C3 | C5 | C41 | H411 | 77.3° | 65.0° |
C5 | C3 | N2 | H21 | 0.1° | 0.1° |
C3 | C5 | N7 | H71 | 34.8° | 94.9° |
N7 | C5 | C41 | H51 | 126.7° | 120.0° |
C5 | N7 | C8 | H71 | 180.0° | 179.9° |
C5 | N7 | C8 | O9 | 5.3° | 0.0° |
C5 | N7 | C8 | C10 | 173.9° | 180.0° |
N7 | C5 | C41 | C43 | 49.1° | 55.0° |
N7 | C5 | C41 | O44 | 67.4° | 65.0° |
N7 | C5 | C41 | H411 | 174.0° | 175.0° |
C41 | C5 | N7 | C8 | 96.4° | 155.0° |
C5 | C41 | C43 | O44 | 115.6° | 120.0° |
C5 | C41 | C43 | H411 | 124.9° | 120.0° |
C5 | C41 | O44 | H411 | 117.6° | 120.0° |
C5 | C41 | O44 | C45 | 143.5° | 150.0° |
C5 | C41 | C43 | H432 | 180.0° | 60.0° |
C5 | C41 | C43 | H431 | 60.0° | 180.0° |
C5 | C41 | C43 | H433 | 60.0° | 59.9° |
C41 | C5 | N7 | H71 | 83.6° | 25.0° |
N7 | C8 | O9 | C10 | 179.2° | 180.0° |
N7 | C8 | C10 | C12 | 108.6° | 61.5° |
N7 | C8 | C10 | C15 | 140.0° | 173.5° |
N7 | C8 | C10 | H101 | 9.6° | 62.5° |
C8 | N7 | C5 | H51 | 30.0° | 35.1° |
O9 | C8 | C10 | C12 | 70.7° | 118.5° |
O9 | C8 | C10 | C15 | 40.7° | 6.5° |
O9 | C8 | C10 | H101 | 171.1° | 117.5° |
O9 | C8 | N7 | H71 | 174.6° | 180.0° |
C8 | C10 | C12 | C15 | 125.7° | 118.0° |
C8 | C10 | C12 | H101 | 118.7° | 123.9° |
C8 | C10 | C15 | H101 | 130.6° | 123.9° |
C8 | C10 | C12 | N13 | 91.1° | 82.4° |
C8 | C10 | C15 | C14 | 69.1° | 84.0° |
C8 | C10 | C15 | C16 | 55.7° | 45.7° |
C8 | C10 | C15 | C18 | 160.0° | 146.4° |
C8 | C10 | C12 | H122 | 28.0° | 36.5° |
C8 | C10 | C12 | H121 | 149.8° | 158.8° |
C10 | C8 | N7 | H71 | 6.1° | 0.0° |
C12 | C10 | C15 | H101 | 115.4° | 118.0° |
C10 | C12 | N13 | H122 | 119.0° | 118.8° |
C10 | C12 | N13 | H121 | 119.1° | 118.9° |
C10 | C12 | N13 | C14 | 12.1° | 23.9° |
C10 | C12 | N13 | C27 | 169.9° | 156.0° |
C12 | C10 | C15 | C14 | 44.9° | 34.0° |
C12 | C10 | C15 | C16 | 169.7° | 163.7° |
C12 | C10 | C15 | C18 | 86.0° | 95.6° |
C10 | C12 | H122 | H121 | 122.7° | 122.2° |
C15 | C10 | C12 | N13 | 34.6° | 35.6° |
C10 | C15 | C14 | N13 | 37.7° | 20.8° |
C10 | C15 | C14 | C16 | 127.8° | 129.3° |
C10 | C15 | C14 | C18 | 130.3° | 129.3° |
C10 | C15 | C16 | C18 | 120.1° | 117.8° |
C10 | C15 | C16 | N17 | 128.1° | 95.0° |
C10 | C15 | C18 | N17 | 128.7° | 95.0° |
C15 | C10 | C12 | H122 | 153.7° | 154.5° |
C15 | C10 | C12 | H121 | 84.4° | 83.2° |
C10 | C15 | C14 | H142 | 81.0° | 140.1° |
C10 | C15 | C14 | H141 | 156.4° | 98.5° |
C10 | C15 | C16 | H162 | 12.4° | 19.3° |
C10 | C15 | C16 | H161 | 116.3° | 150.9° |
C10 | C15 | C18 | H181 | 115.7° | 150.9° |
C10 | C15 | C18 | H182 | 13.0° | 19.3° |
C12 | N13 | C14 | C27 | 177.7° | 179.9° |
C12 | N13 | C14 | C15 | 15.7° | 2.0° |
C12 | N13 | C27 | O28 | 2.5° | 4.7° |
C12 | N13 | C27 | C29 | 179.9° | 175.5° |
N13 | C12 | C10 | H101 | 150.2° | 153.7° |
N13 | C12 | H122 | H121 | 122.7° | 122.2° |
C12 | N13 | C14 | H142 | 103.1° | 117.3° |
C12 | N13 | C14 | H141 | 134.4° | 121.4° |
N13 | C14 | C15 | H142 | 118.7° | 119.3° |
N13 | C14 | C15 | H141 | 118.7° | 119.3° |
N13 | C14 | C15 | C16 | 165.5° | 150.1° |
N13 | C14 | C15 | C18 | 92.6° | 108.5° |
C14 | N13 | C27 | O28 | 179.9° | 175.5° |
C14 | N13 | C27 | C29 | 2.6° | 4.4° |
C14 | N13 | C12 | H122 | 131.2° | 142.7° |
C14 | N13 | C12 | H121 | 106.9° | 95.0° |
N13 | C14 | H142 | H141 | 123.7° | 121.2° |
C27 | N13 | C14 | C15 | 162.1° | 177.9° |
N13 | C27 | O28 | C29 | 177.3° | 179.9° |
N13 | C27 | C29 | C30 | 153.0° | 5.6° |
N13 | C27 | C29 | C40 | 28.4° | 174.0° |
C27 | N13 | C12 | H122 | 50.8° | 37.1° |
C27 | N13 | C12 | H121 | 71.1° | 85.1° |
C27 | N13 | C14 | H142 | 79.2° | 62.8° |
C27 | N13 | C14 | H141 | 43.3° | 58.5° |
C14 | C15 | C16 | C18 | 120.0° | 118.5° |
C14 | C15 | C16 | N17 | 112.1° | 141.4° |
C14 | C15 | C18 | N17 | 107.6° | 141.4° |
C14 | C15 | C10 | H101 | 160.3° | 152.1° |
C15 | C14 | H142 | H141 | 123.7° | 121.4° |
C14 | C15 | C16 | H162 | 132.2° | 104.4° |
C14 | C15 | C16 | H161 | 3.5° | 27.2° |
C14 | C15 | C18 | H181 | 8.0° | 27.2° |
C14 | C15 | C18 | H182 | 136.7° | 104.3° |
C15 | C16 | N17 | H162 | 115.6° | 114.2° |
C15 | C16 | N17 | H161 | 115.6° | 114.2° |
C16 | C15 | C18 | N17 | 8.0° | 22.9° |
C15 | C16 | N17 | C19 | 170.0° | 156.3° |
C16 | C15 | C10 | H101 | 74.9° | 78.3° |
C16 | C15 | C14 | H142 | 46.8° | 90.6° |
C16 | C15 | C14 | H141 | 75.8° | 30.8° |
C15 | C16 | H162 | H161 | 131.4° | 132.0° |
C16 | C15 | C18 | H181 | 123.6° | 91.3° |
C16 | C15 | C18 | H182 | 107.7° | 137.2° |
C15 | C18 | N17 | H181 | 115.7° | 114.2° |
C15 | C18 | N17 | H182 | 115.7° | 114.2° |
C15 | C18 | N17 | C19 | 170.1° | 156.3° |
C18 | C15 | C10 | H101 | 29.4° | 22.5° |
C18 | C15 | C14 | H142 | 148.7° | 10.7° |
C18 | C15 | C14 | H141 | 26.1° | 132.1° |
C18 | C15 | C16 | H162 | 107.7° | 137.1° |
C18 | C15 | C16 | H161 | 123.6° | 91.3° |
C15 | C18 | H181 | H182 | 131.4° | 131.9° |
C16 | N17 | C18 | C19 | 178.8° | 180.0° |
C16 | N17 | C19 | O20 | 179.4° | 0.1° |
C16 | N17 | C19 | C21 | 1.8° | 180.0° |
N17 | C16 | H162 | H161 | 131.5° | 131.9° |
C16 | N17 | C18 | H181 | 124.4° | 90.5° |
C16 | N17 | C18 | H182 | 107.0° | 137.8° |
C18 | N17 | C19 | O20 | 2.2° | 180.0° |
C18 | N17 | C19 | C21 | 179.8° | 0.0° |
C18 | N17 | C16 | H162 | 106.9° | 137.9° |
C18 | N17 | C16 | H161 | 124.3° | 90.6° |
N17 | C18 | H181 | H182 | 131.4° | 132.1° |
N17 | C19 | O20 | C21 | 177.4° | 179.9° |
N17 | C19 | C21 | C23 | 178.9° | 111.4° |
N17 | C19 | C21 | C24 | 108.3° | 180.0° |
C19 | N17 | C16 | H162 | 74.4° | 42.1° |
C19 | N17 | C16 | H161 | 54.3° | 89.5° |
C19 | N17 | C18 | H181 | 54.5° | 89.5° |
C19 | N17 | C18 | H182 | 74.2° | 42.2° |
N17 | C19 | C21 | H211 | 36.2° | 34.2° |
O20 | C19 | C21 | C23 | 1.3° | 68.6° |
O20 | C19 | C21 | C24 | 69.2° | 0.0° |
O20 | C19 | C21 | H211 | 146.2° | 145.7° |
C19 | C21 | C23 | C24 | 109.2° | 107.5° |
C19 | C21 | C23 | H211 | 145.1° | 145.0° |
C19 | C21 | C24 | H211 | 144.9° | 145.1° |
C19 | C21 | C24 | C25 | 143.9° | 145.0° |
C19 | C21 | C24 | C26 | 4.7° | 0.0° |
C19 | C21 | C23 | H231 | 141.3° | 145.0° |
C19 | C21 | C23 | H232 | 0.3° | 0.0° |
C23 | C21 | C24 | H211 | 106.1° | 107.5° |
C21 | C23 | C24 | H231 | 109.5° | 107.4° |
C21 | C23 | C24 | H232 | 109.5° | 107.4° |
C23 | C21 | C24 | C25 | 107.0° | 107.5° |
C23 | C21 | C24 | C26 | 104.4° | 107.5° |
C21 | C23 | H231 | H232 | 144.7° | 145.6° |
C21 | C24 | C25 | C26 | 148.8° | 145.7° |
C21 | C24 | C25 | H252 | 180.0° | 60.1° |
C21 | C24 | C25 | H251 | 60.0° | 180.0° |
C21 | C24 | C25 | H253 | 60.0° | 60.0° |
C21 | C24 | C26 | H262 | 180.0° | 60.0° |
C21 | C24 | C26 | H263 | 60.0° | 180.0° |
C21 | C24 | C26 | H261 | 60.0° | 60.0° |
C23 | C24 | C25 | C26 | 140.4° | 145.7° |
C24 | C23 | H231 | H232 | 144.6° | 145.8° |
C23 | C24 | C25 | H252 | 109.2° | 8.6° |
C23 | C24 | C25 | H251 | 130.8° | 111.3° |
C23 | C24 | C25 | H253 | 10.8° | 128.7° |
C23 | C24 | C26 | H262 | 114.0° | 128.7° |
C23 | C24 | C26 | H263 | 6.1° | 111.4° |
C23 | C24 | C26 | H261 | 126.1° | 8.6° |
C25 | C24 | C21 | H211 | 1.0° | 0.0° |
C25 | C24 | C23 | H231 | 4.1° | 0.1° |
C25 | C24 | C23 | H232 | 136.8° | 145.1° |
C24 | C25 | H252 | H251 | 120.0° | 120.0° |
C24 | C25 | H252 | H253 | 120.0° | 120.1° |
C24 | C25 | H251 | H253 | 120.0° | 120.0° |
C25 | C24 | C26 | H262 | 28.5° | 85.7° |
C25 | C24 | C26 | H263 | 148.5° | 34.3° |
C25 | C24 | C26 | H261 | 91.5° | 154.3° |
C26 | C24 | C21 | H211 | 149.5° | 145.1° |
C26 | C24 | C23 | H231 | 144.5° | 145.1° |
C26 | C24 | C23 | H232 | 3.6° | 0.0° |
C26 | C24 | C25 | H252 | 31.2° | 154.3° |
C26 | C24 | C25 | H251 | 88.8° | 34.3° |
C26 | C24 | C25 | H253 | 151.2° | 85.7° |
C24 | C26 | H262 | H263 | 120.0° | 120.0° |
C24 | C26 | H262 | H261 | 120.0° | 120.0° |
C24 | C26 | H263 | H261 | 120.0° | 120.0° |
O28 | C27 | C29 | C30 | 29.6° | 174.2° |
O28 | C27 | C29 | C40 | 149.0° | 6.2° |
C27 | C29 | C30 | C40 | 178.9° | 179.7° |
C27 | C29 | C30 | N31 | 179.0° | 179.9° |
C27 | C29 | C40 | N32 | 179.7° | 180.0° |
C27 | C29 | C30 | H301 | 1.0° | 0.1° |
C27 | C29 | C40 | H401 | 0.3° | 0.0° |
C29 | C30 | N31 | H301 | 180.0° | 180.0° |
C29 | C30 | N31 | N32 | 0.6° | 0.1° |
C30 | C29 | C40 | N32 | 0.9° | 0.3° |
C30 | C29 | C40 | H401 | 179.1° | 179.7° |
C40 | C29 | C30 | N31 | 0.1° | 0.2° |
C29 | C40 | N32 | N31 | 1.4° | 0.2° |
C29 | C40 | N32 | C33 | 178.5° | 179.9° |
C29 | C40 | N32 | H401 | 180.0° | 180.0° |
C40 | C29 | C30 | H301 | 179.9° | 179.8° |
C30 | N31 | N32 | C33 | 178.5° | 179.9° |
C30 | N31 | N32 | C40 | 1.2° | 0.1° |
N31 | N32 | C33 | C40 | 176.9° | 179.8° |
N31 | N32 | C33 | C34 | 80.7° | 55.1° |
N32 | N31 | C30 | H301 | 179.3° | 179.9° |
N31 | N32 | C33 | H332 | 39.2° | 175.1° |
N31 | N32 | C33 | H331 | 159.4° | 65.0° |
N31 | N32 | C40 | H401 | 178.6° | 179.8° |
N32 | C33 | C34 | H332 | 119.9° | 120.0° |
N32 | C33 | C34 | H331 | 119.9° | 120.0° |
N32 | C33 | C34 | C35 | 128.8° | 90.0° |
N32 | C33 | C34 | C39 | 49.2° | 90.2° |
N32 | C33 | H332 | H331 | 120.3° | 120.0° |
C33 | N32 | C40 | H401 | 1.4° | 0.1° |
C40 | N32 | C33 | C34 | 96.2° | 125.0° |
C40 | N32 | C33 | H332 | 143.9° | 5.1° |
C40 | N32 | C33 | H331 | 23.7° | 114.9° |
C33 | C34 | C35 | C39 | 178.1° | 179.7° |
C33 | C34 | C35 | C36 | 179.5° | 180.0° |
C33 | C34 | C39 | C38 | 179.7° | 179.8° |
C34 | C33 | H332 | H331 | 120.3° | 120.0° |
C33 | C34 | C35 | H351 | 0.5° | 0.0° |
C33 | C34 | C39 | H391 | 0.3° | 0.0° |
C34 | C35 | C36 | H351 | 180.0° | 180.0° |
C34 | C35 | C36 | C37 | 1.8° | 0.0° |
C35 | C34 | C39 | C38 | 1.6° | 0.5° |
C35 | C34 | C33 | H332 | 8.8° | 150.0° |
C35 | C34 | C33 | H331 | 111.3° | 30.0° |
C34 | C35 | C36 | H361 | 178.2° | 179.9° |
C35 | C34 | C39 | H391 | 178.4° | 179.7° |
C39 | C34 | C35 | C36 | 2.5° | 0.3° |
C34 | C39 | C38 | C37 | 0.1° | 0.4° |
C34 | C39 | C38 | H391 | 180.0° | 179.8° |
C39 | C34 | C33 | H332 | 169.1° | 29.7° |
C39 | C34 | C33 | H331 | 70.7° | 149.7° |
C39 | C34 | C35 | H351 | 177.5° | 179.7° |
C34 | C39 | C38 | H381 | 179.9° | 179.7° |
C35 | C36 | C37 | H361 | 180.0° | 180.0° |
C35 | C36 | C37 | C38 | 0.1° | 0.0° |
C35 | C36 | C37 | H371 | 179.9° | 179.9° |
C36 | C37 | C38 | H371 | 180.0° | 180.0° |
C36 | C37 | C38 | C39 | 0.7° | 0.2° |
C37 | C36 | C35 | H351 | 178.2° | 180.0° |
C36 | C37 | C38 | H381 | 179.3° | 180.0° |
C37 | C38 | C39 | H381 | 180.0° | 179.8° |
C38 | C37 | C36 | H361 | 179.9° | 180.0° |
C37 | C38 | C39 | H391 | 179.9° | 179.8° |
C39 | C38 | C37 | H371 | 179.3° | 179.9° |
C43 | C41 | O44 | H411 | 118.6° | 120.0° |
C43 | C41 | O44 | C45 | 92.7° | 90.0° |
C41 | C43 | H432 | H431 | 120.0° | 120.0° |
C41 | C43 | H432 | H433 | 120.0° | 119.9° |
C41 | C43 | H431 | H433 | 120.0° | 120.0° |
C43 | C41 | C5 | H51 | 77.6° | 65.0° |
C41 | O44 | C45 | C46 | 98.3° | 180.0° |
O44 | C41 | C43 | H432 | 64.4° | 60.0° |
O44 | C41 | C43 | H431 | 175.6° | 60.0° |
O44 | C41 | C43 | H433 | 55.6° | 179.9° |
C41 | O44 | C45 | H452 | 21.0° | 60.0° |
C41 | O44 | C45 | H451 | 142.3° | 59.9° |
O44 | C41 | C5 | H51 | 165.8° | 175.1° |
O44 | C45 | C46 | H452 | 119.4° | 120.0° |
O44 | C45 | C46 | H451 | 119.3° | 120.1° |
O44 | C45 | C46 | C47 | 121.6° | 180.0° |
C45 | O44 | C41 | H411 | 25.9° | 29.9° |
O44 | C45 | H452 | H451 | 121.9° | 120.0° |
O44 | C45 | C46 | H461 | 0.2° | 60.0° |
O44 | C45 | C46 | H462 | 117.1° | 60.1° |
C45 | C46 | C47 | H461 | 121.4° | 120.0° |
C45 | C46 | C47 | H462 | 121.3° | 119.9° |
C45 | C46 | C47 | C48 | 30.7° | 175.0° |
C45 | C46 | C47 | C52 | 159.6° | 65.0° |
C46 | C45 | H452 | H451 | 121.9° | 120.0° |
C45 | C46 | H461 | H462 | 115.7° | 120.0° |
C45 | C46 | C47 | H471 | 86.2° | 55.0° |
C46 | C47 | C48 | C52 | 131.6° | 120.0° |
C46 | C47 | C48 | H471 | 116.9° | 120.0° |
C46 | C47 | C52 | H471 | 114.4° | 120.0° |
C46 | C47 | C48 | C49 | 157.3° | 180.0° |
C46 | C47 | C52 | C51 | 159.1° | 180.0° |
C47 | C46 | C45 | H452 | 119.1° | 60.0° |
C47 | C46 | C45 | H451 | 2.2° | 59.9° |
C47 | C46 | H461 | H462 | 115.7° | 120.0° |
C46 | C47 | C48 | H481 | 38.0° | 60.0° |
C46 | C47 | C48 | H482 | 83.3° | 60.0° |
C46 | C47 | C52 | H521 | 81.0° | 60.0° |
C46 | C47 | C52 | H522 | 39.3° | 60.0° |
C48 | C47 | C52 | H471 | 111.4° | 120.0° |
C47 | C48 | C49 | H481 | 119.4° | 120.0° |
C47 | C48 | C49 | H482 | 119.4° | 120.0° |
C47 | C48 | C49 | C50 | 57.4° | 60.0° |
C48 | C47 | C52 | C51 | 66.7° | 60.0° |
C48 | C47 | C46 | H461 | 90.7° | 55.0° |
C48 | C47 | C46 | H462 | 152.0° | 65.0° |
C47 | C48 | H481 | H482 | 121.9° | 120.0° |
C47 | C48 | C49 | H492 | 63.3° | 60.0° |
C47 | C48 | C49 | H491 | 178.2° | 180.0° |
C48 | C47 | C52 | H521 | 53.2° | 59.9° |
C48 | C47 | C52 | H522 | 173.5° | 180.0° |
C52 | C47 | C48 | C49 | 71.0° | 60.0° |
C47 | C52 | C51 | C50 | 47.7° | 60.0° |
C47 | C52 | C51 | H521 | 119.9° | 120.0° |
C47 | C52 | C51 | H522 | 119.8° | 120.0° |
C52 | C47 | C46 | H461 | 38.2° | 175.0° |
C52 | C47 | C46 | H462 | 79.1° | 54.9° |
C52 | C47 | C48 | H481 | 169.6° | 180.0° |
C52 | C47 | C48 | H482 | 48.4° | 60.0° |
C47 | C52 | C51 | H511 | 73.2° | 60.0° |
C47 | C52 | C51 | H512 | 168.6° | 180.0° |
C47 | C52 | H521 | H522 | 120.5° | 120.1° |
C48 | C49 | C50 | H492 | 120.8° | 120.0° |
C48 | C49 | C50 | H491 | 120.7° | 120.0° |
C48 | C49 | C50 | C51 | 40.1° | 60.0° |
C49 | C48 | C47 | H471 | 40.4° | 60.0° |
C49 | C48 | H481 | H482 | 121.9° | 120.0° |
C48 | C49 | H492 | H491 | 117.7° | 120.0° |
C48 | C49 | C50 | H501 | 160.8° | 180.0° |
C48 | C49 | C50 | H502 | 80.6° | 60.0° |
C49 | C50 | C51 | H501 | 120.7° | 120.0° |
C49 | C50 | C51 | H502 | 120.7° | 120.0° |
C49 | C50 | C51 | C52 | 34.7° | 60.0° |
C50 | C49 | C48 | H481 | 176.8° | 180.0° |
C50 | C49 | C48 | H482 | 61.9° | 60.0° |
C50 | C49 | H492 | H491 | 117.7° | 120.0° |
C49 | C50 | H501 | H502 | 117.8° | 120.0° |
C49 | C50 | C51 | H511 | 86.2° | 60.0° |
C49 | C50 | C51 | H512 | 155.6° | 180.0° |
C50 | C51 | C52 | H511 | 120.9° | 120.0° |
C50 | C51 | C52 | H512 | 120.9° | 120.0° |
C51 | C50 | C49 | H492 | 80.7° | 60.0° |
C51 | C50 | C49 | H491 | 160.8° | 180.0° |
C51 | C50 | H501 | H502 | 117.8° | 120.0° |
C50 | C51 | H511 | H512 | 117.2° | 120.0° |
C50 | C51 | C52 | H521 | 72.2° | 60.0° |
C50 | C51 | C52 | H522 | 167.5° | 180.0° |
C51 | C52 | C47 | H471 | 44.7° | 60.0° |
C52 | C51 | C50 | H501 | 155.4° | 180.0° |
C52 | C51 | C50 | H502 | 86.0° | 60.0° |
C52 | C51 | H511 | H512 | 117.2° | 120.0° |
C51 | C52 | H521 | H522 | 120.5° | 119.9° |
H11 | C1 | H12 | H13 | 120.0° | 120.0° |
H11 | C1 | N2 | H21 | 0.0° | 120.0° |
H12 | C1 | N2 | H21 | 120.0° | 120.0° |
H13 | C1 | N2 | H21 | 120.0° | 0.1° |
H101 | C10 | C12 | H122 | 90.8° | 87.4° |
H101 | C10 | C12 | H121 | 31.1° | 34.8° |
H211 | C21 | C23 | H231 | 3.8° | 0.1° |
H211 | C21 | C23 | H232 | 144.8° | 145.0° |
H252 | C25 | H251 | H253 | 120.0° | 120.0° |
H262 | C26 | H263 | H261 | 120.0° | 120.0° |
H351 | C35 | C36 | H361 | 1.8° | 0.1° |
H361 | C36 | C37 | H371 | 0.1° | 0.0° |
H371 | C37 | C38 | H381 | 0.7° | 0.0° |
H381 | C38 | C39 | H391 | 0.1° | 0.1° |
H411 | C41 | C43 | H432 | 55.1° | 180.0° |
H411 | C41 | C43 | H431 | 64.9° | 60.0° |
H411 | C41 | C43 | H433 | 175.1° | 60.1° |
H411 | C41 | C5 | H51 | 47.3° | 55.0° |
H432 | C43 | H431 | H433 | 120.0° | 120.0° |
H452 | C45 | C46 | H461 | 119.6° | 60.0° |
H452 | C45 | C46 | H462 | 2.2° | 179.9° |
H451 | C45 | C46 | H461 | 119.1° | 179.9° |
H451 | C45 | C46 | H462 | 123.5° | 60.0° |
H461 | C46 | C47 | H471 | 152.5° | 65.0° |
H462 | C46 | C47 | H471 | 35.2° | 174.9° |
H471 | C47 | C48 | H481 | 79.0° | 60.0° |
H471 | C47 | C48 | H482 | 159.8° | 180.0° |
H471 | C47 | C52 | H521 | 164.6° | 180.0° |
H471 | C47 | C52 | H522 | 75.1° | 60.0° |
H481 | C48 | C49 | H492 | 56.1° | 60.0° |
H481 | C48 | C49 | H491 | 62.5° | 60.1° |
H482 | C48 | C49 | H492 | 177.3° | 179.9° |
H482 | C48 | C49 | H491 | 58.8° | 60.0° |
H492 | C49 | C50 | H501 | 40.0° | 60.0° |
H492 | C49 | C50 | H502 | 158.6° | 180.0° |
H491 | C49 | C50 | H501 | 78.5° | 60.0° |
H491 | C49 | C50 | H502 | 40.1° | 60.0° |
H51 | C5 | N7 | H71 | 150.0° | 145.0° |
H501 | C50 | C51 | H511 | 34.5° | 60.0° |
H501 | C50 | C51 | H512 | 83.7° | 60.0° |
H502 | C50 | C51 | H511 | 153.1° | 180.0° |
H502 | C50 | C51 | H512 | 34.9° | 60.0° |
H511 | C51 | C52 | H521 | 166.9° | 179.9° |
H511 | C51 | C52 | H522 | 46.6° | 60.0° |
H512 | C51 | C52 | H521 | 48.7° | 59.9° |
H512 | C51 | C52 | H522 | 71.6° | 60.0° |