PCK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C48 | C47 | sing | 1.53Å | 1.53Å | |
C48 | H481 | sing | 1.09Å | 1.10Å | |
C48 | H482 | sing | 1.09Å | 1.10Å | |
C48 | H483 | sing | 1.09Å | 1.10Å | |
C47 | C46 | sing | 1.53Å | 1.53Å | |
C47 | H471 | sing | 1.09Å | 1.10Å | |
C47 | H472 | sing | 1.09Å | 1.10Å | |
C46 | C45 | sing | 1.53Å | 1.54Å | |
C46 | H461 | sing | 1.09Å | 1.10Å | |
C46 | H462 | sing | 1.09Å | 1.10Å | |
C45 | C44 | sing | 1.53Å | 1.54Å | |
C45 | H451 | sing | 1.09Å | 1.10Å | |
C45 | H452 | sing | 1.09Å | 1.10Å | |
C44 | C43 | sing | 1.53Å | 1.53Å | |
C44 | H441 | sing | 1.09Å | 1.10Å | |
C44 | H442 | sing | 1.09Å | 1.10Å | |
C43 | C42 | sing | 1.53Å | 1.53Å | |
C43 | H431 | sing | 1.09Å | 1.10Å | |
C43 | H432 | sing | 1.09Å | 1.10Å | |
C42 | C41 | sing | 1.53Å | 1.54Å | |
C42 | H421 | sing | 1.09Å | 1.10Å | |
C42 | H422 | sing | 1.09Å | 1.10Å | |
C41 | C40 | sing | 1.53Å | 1.51Å | |
C41 | H411 | sing | 1.09Å | 1.10Å | |
C41 | H412 | sing | 1.09Å | 1.10Å | |
C40 | BR4 | sing | 1.97Å | 1.94Å | |
C40 | C39 | sing | 1.53Å | 1.53Å | |
C40 | H40 | sing | 1.09Å | 1.10Å | |
C39 | BR3 | sing | 1.97Å | 1.95Å | |
C39 | C38 | sing | 1.53Å | 1.53Å | |
C39 | H39 | sing | 1.09Å | 1.10Å | |
C38 | C37 | sing | 1.53Å | 1.54Å | |
C38 | H381 | sing | 1.09Å | 1.10Å | |
C38 | H382 | sing | 1.09Å | 1.10Å | |
C37 | C36 | sing | 1.53Å | 1.54Å | |
C37 | H371 | sing | 1.09Å | 1.10Å | |
C37 | H372 | sing | 1.09Å | 1.10Å | |
C36 | C35 | sing | 1.53Å | 1.53Å | |
C36 | H361 | sing | 1.09Å | 1.10Å | |
C36 | H362 | sing | 1.09Å | 1.10Å | |
C35 | C34 | sing | 1.53Å | 1.54Å | |
C35 | H351 | sing | 1.09Å | 1.10Å | |
C35 | H352 | sing | 1.09Å | 1.10Å | |
C34 | C33 | sing | 1.53Å | 1.54Å | |
C34 | H341 | sing | 1.09Å | 1.10Å | |
C34 | H342 | sing | 1.09Å | 1.10Å | |
C33 | C32 | sing | 1.53Å | 1.53Å | |
C33 | H331 | sing | 1.09Å | 1.10Å | |
C33 | H332 | sing | 1.09Å | 1.10Å | |
C32 | C31 | sing | 1.51Å | 1.55Å | |
C32 | H321 | sing | 1.09Å | 1.10Å | |
C32 | H322 | sing | 1.09Å | 1.10Å | |
C31 | O31 | doub | 1.21Å | 1.24Å | |
C31 | O2 | sing | 1.34Å | 1.37Å | |
O2 | C2 | sing | 1.45Å | 1.46Å | |
C2 | C1 | sing | 1.53Å | 1.55Å | |
C2 | C3 | sing | 1.53Å | 1.56Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C1 | O3P | sing | 1.43Å | 1.45Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
O3P | P | sing | 1.61Å | 1.66Å | |
P | O1P | sing | 1.61Å | 1.61Å | |
P | O2P | doub | 1.48Å | 1.49Å | |
P | O4P | sing | 1.61Å | 1.64Å | |
O1P | HO1P | sing | 0.97Å | 0.95Å | |
O4P | C4 | sing | 1.43Å | 1.41Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C5 | N | sing | 1.47Å | 1.47Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
N | C7 | sing | 1.47Å | 1.48Å | |
N | C8 | sing | 1.47Å | 1.47Å | |
N | C6 | sing | 1.47Å | 1.49Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C7 | H73 | sing | 1.09Å | 1.10Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C8 | H83 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C6 | H63 | sing | 1.09Å | 1.10Å | |
C3 | O3 | sing | 1.45Å | 1.46Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
O3 | C11 | sing | 1.34Å | 1.38Å | |
C11 | O11 | doub | 1.21Å | 1.23Å | |
C11 | C12 | sing | 1.51Å | 1.53Å | |
C12 | C13 | sing | 1.53Å | 1.54Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C12 | H122 | sing | 1.09Å | 1.10Å | |
C13 | C14 | sing | 1.53Å | 1.54Å | |
C13 | H131 | sing | 1.09Å | 1.10Å | |
C13 | H132 | sing | 1.09Å | 1.10Å | |
C14 | C15 | sing | 1.53Å | 1.54Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
C14 | H142 | sing | 1.09Å | 1.10Å | |
C15 | C16 | sing | 1.53Å | 1.54Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C15 | H152 | sing | 1.09Å | 1.10Å | |
C16 | C17 | sing | 1.53Å | 1.55Å | |
C16 | H161 | sing | 1.09Å | 1.10Å | |
C16 | H162 | sing | 1.09Å | 1.10Å | |
C17 | C18 | sing | 1.53Å | 1.53Å | |
C17 | H171 | sing | 1.09Å | 1.10Å | |
C17 | H172 | sing | 1.09Å | 1.10Å | |
C18 | C19 | sing | 1.53Å | 1.52Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C18 | H182 | sing | 1.09Å | 1.10Å | |
C19 | BR1 | sing | 1.97Å | 1.97Å | |
C19 | C20 | sing | 1.53Å | 1.52Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C20 | BR2 | sing | 1.97Å | 1.96Å | |
C20 | C21 | sing | 1.53Å | 1.54Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C21 | C22 | sing | 1.53Å | 1.50Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C21 | H212 | sing | 1.09Å | 1.10Å | |
C22 | C23 | sing | 1.53Å | 1.53Å | |
C22 | H221 | sing | 1.09Å | 1.10Å | |
C22 | H222 | sing | 1.09Å | 1.10Å | |
C23 | C24 | sing | 1.53Å | 1.53Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C23 | H232 | sing | 1.09Å | 1.10Å | |
C24 | C25 | sing | 1.53Å | 1.55Å | |
C24 | H241 | sing | 1.09Å | 1.10Å | |
C24 | H242 | sing | 1.09Å | 1.10Å | |
C25 | C26 | sing | 1.53Å | 1.55Å | |
C25 | H251 | sing | 1.09Å | 1.10Å | |
C25 | H252 | sing | 1.09Å | 1.10Å | |
C26 | C27 | sing | 1.53Å | 1.56Å | |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C26 | H262 | sing | 1.09Å | 1.10Å | |
C27 | C28 | sing | 1.53Å | 1.54Å | |
C27 | H271 | sing | 1.09Å | 1.10Å | |
C27 | H272 | sing | 1.09Å | 1.10Å | |
C28 | H281 | sing | 1.09Å | 1.10Å | |
C28 | H282 | sing | 1.09Å | 1.10Å | |
C28 | H283 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C47 | C48 | H481 | 109.5° | 109.5° |
C47 | C48 | H482 | 109.5° | 109.5° |
C47 | C48 | H483 | 109.5° | 109.5° |
C48 | C47 | C46 | 111.6° | 109.5° |
C48 | C47 | H471 | 108.3° | 109.5° |
C48 | C47 | H472 | 108.8° | 109.5° |
H481 | C48 | H482 | 109.5° | 109.4° |
H481 | C48 | H483 | 109.5° | 109.5° |
H482 | C48 | H483 | 109.4° | 109.4° |
C46 | C47 | H471 | 108.3° | 109.4° |
C46 | C47 | H472 | 108.8° | 109.4° |
C47 | C46 | C45 | 111.5° | 109.5° |
C47 | C46 | H461 | 108.4° | 109.4° |
C47 | C46 | H462 | 108.8° | 109.5° |
H471 | C47 | H472 | 111.1° | 109.4° |
C45 | C46 | H461 | 108.4° | 109.5° |
C45 | C46 | H462 | 108.8° | 109.5° |
C46 | C45 | C44 | 112.6° | 109.5° |
C46 | C45 | H451 | 107.7° | 109.4° |
C46 | C45 | H452 | 108.5° | 109.5° |
H461 | C46 | H462 | 111.1° | 109.4° |
C44 | C45 | H451 | 107.7° | 109.5° |
C44 | C45 | H452 | 108.4° | 109.5° |
C45 | C44 | C43 | 108.9° | 109.5° |
C45 | C44 | H441 | 109.8° | 109.4° |
C45 | C44 | H442 | 109.7° | 109.5° |
H451 | C45 | H452 | 111.9° | 109.4° |
C43 | C44 | H441 | 109.8° | 109.5° |
C43 | C44 | H442 | 109.6° | 109.5° |
C44 | C43 | C42 | 114.1° | 109.5° |
C44 | C43 | H431 | 106.9° | 109.5° |
C44 | C43 | H432 | 108.0° | 109.4° |
H441 | C44 | H442 | 109.0° | 109.4° |
C42 | C43 | H431 | 106.9° | 109.5° |
C42 | C43 | H432 | 108.0° | 109.5° |
C43 | C42 | C41 | 113.2° | 109.5° |
C43 | C42 | H421 | 107.4° | 109.5° |
C43 | C42 | H422 | 108.2° | 109.5° |
H431 | C43 | H432 | 113.1° | 109.5° |
C41 | C42 | H421 | 107.4° | 109.5° |
C41 | C42 | H422 | 108.3° | 109.5° |
C42 | C41 | C40 | 108.3° | 109.5° |
C42 | C41 | H411 | 110.1° | 109.4° |
C42 | C41 | H412 | 109.9° | 109.5° |
H421 | C42 | H422 | 112.4° | 109.5° |
C40 | C41 | H411 | 110.1° | 109.5° |
C40 | C41 | H412 | 109.9° | 109.5° |
C41 | C40 | BR4 | 106.1° | 109.5° |
C41 | C40 | C39 | 113.8° | 109.5° |
C41 | C40 | H40 | 110.6° | 109.5° |
H411 | C41 | H412 | 108.6° | 109.5° |
BR4 | C40 | C39 | 114.1° | 109.4° |
BR4 | C40 | H40 | 110.3° | 109.4° |
C39 | C40 | H40 | 102.0° | 109.5° |
C40 | C39 | BR3 | 111.4° | 109.5° |
C40 | C39 | C38 | 112.9° | 109.5° |
C40 | C39 | H39 | 106.0° | 109.4° |
BR3 | C39 | C38 | 110.3° | 109.5° |
BR3 | C39 | H39 | 108.8° | 109.5° |
C38 | C39 | H39 | 107.2° | 109.5° |
C39 | C38 | C37 | 111.7° | 109.5° |
C39 | C38 | H381 | 108.2° | 109.5° |
C39 | C38 | H382 | 108.7° | 109.5° |
C37 | C38 | H381 | 108.2° | 109.5° |
C37 | C38 | H382 | 108.7° | 109.4° |
C38 | C37 | C36 | 114.4° | 109.5° |
C38 | C37 | H371 | 106.8° | 109.5° |
C38 | C37 | H372 | 107.8° | 109.4° |
H381 | C38 | H382 | 111.2° | 109.5° |
C36 | C37 | H371 | 106.7° | 109.5° |
C36 | C37 | H372 | 107.9° | 109.5° |
C37 | C36 | C35 | 113.2° | 109.5° |
C37 | C36 | H361 | 107.4° | 109.5° |
C37 | C36 | H362 | 108.2° | 109.5° |
H371 | C37 | H372 | 113.4° | 109.5° |
C35 | C36 | H361 | 107.4° | 109.4° |
C35 | C36 | H362 | 108.3° | 109.5° |
C36 | C35 | C34 | 115.2° | 109.5° |
C36 | C35 | H351 | 106.3° | 109.5° |
C36 | C35 | H352 | 107.6° | 109.5° |
H361 | C36 | H362 | 112.4° | 109.4° |
C34 | C35 | H351 | 106.3° | 109.4° |
C34 | C35 | H352 | 107.6° | 109.5° |
C35 | C34 | C33 | 111.3° | 109.4° |
C35 | C34 | H341 | 108.4° | 109.5° |
C35 | C34 | H342 | 108.9° | 109.5° |
H351 | C35 | H352 | 114.1° | 109.5° |
C33 | C34 | H341 | 108.5° | 109.4° |
C33 | C34 | H342 | 108.9° | 109.5° |
C34 | C33 | C32 | 113.8° | 109.4° |
C34 | C33 | H331 | 107.1° | 109.4° |
C34 | C33 | H332 | 108.0° | 109.5° |
H341 | C34 | H342 | 110.9° | 109.5° |
C32 | C33 | H331 | 107.0° | 109.4° |
C32 | C33 | H332 | 108.0° | 109.5° |
C33 | C32 | C31 | 111.9° | 109.4° |
C33 | C32 | H321 | 108.1° | 109.4° |
C33 | C32 | H322 | 108.7° | 109.5° |
H331 | C33 | H332 | 112.9° | 109.5° |
C31 | C32 | H321 | 108.1° | 109.5° |
C31 | C32 | H322 | 108.7° | 109.5° |
C32 | C31 | O31 | 122.2° | 120.0° |
C32 | C31 | O2 | 118.0° | 120.0° |
H321 | C32 | H322 | 111.4° | 109.5° |
O31 | C31 | O2 | 119.8° | 120.0° |
C31 | O2 | C2 | 115.6° | 120.0° |
O2 | C2 | C1 | 110.6° | 109.5° |
O2 | C2 | C3 | 111.2° | 109.4° |
O2 | C2 | H2 | 108.3° | 109.5° |
C1 | C2 | C3 | 111.6° | 109.5° |
C1 | C2 | H2 | 107.9° | 109.5° |
C2 | C1 | O3P | 113.6° | 109.5° |
C2 | C1 | H11 | 107.2° | 109.4° |
C2 | C1 | H12 | 108.1° | 109.4° |
C3 | C2 | H2 | 107.2° | 109.5° |
C2 | C3 | O3 | 117.5° | 109.5° |
C2 | C3 | H31 | 105.0° | 109.4° |
C2 | C3 | H32 | 106.9° | 109.5° |
O3P | C1 | H11 | 107.2° | 109.5° |
O3P | C1 | H12 | 108.1° | 109.5° |
C1 | O3P | P | 118.5° | 106.8° |
H11 | C1 | H12 | 112.7° | 109.5° |
O3P | P | O1P | 108.3° | 109.5° |
O3P | P | O2P | 110.6° | 109.5° |
O3P | P | O4P | 104.3° | 109.5° |
O1P | P | O2P | 118.9° | 109.5° |
O1P | P | O4P | 107.8° | 109.4° |
P | O1P | HO1P | 109.5° | 106.8° |
O2P | P | O4P | 105.8° | 109.5° |
P | O4P | C4 | 120.8° | 106.8° |
O4P | C4 | C5 | 110.1° | 109.5° |
O4P | C4 | H41 | 109.1° | 109.5° |
O4P | C4 | H42 | 109.2° | 109.5° |
C5 | C4 | H41 | 109.1° | 109.5° |
C5 | C4 | H42 | 109.3° | 109.4° |
C4 | C5 | N | 110.2° | 109.5° |
C4 | C5 | H51 | 109.0° | 109.5° |
C4 | C5 | H52 | 109.2° | 109.5° |
H41 | C4 | H42 | 110.0° | 109.6° |
N | C5 | H51 | 109.0° | 109.5° |
N | C5 | H52 | 109.2° | 109.4° |
C5 | N | C7 | 108.8° | 109.5° |
C5 | N | C8 | 109.3° | 109.5° |
C5 | N | C6 | 109.2° | 109.5° |
H51 | C5 | H52 | 110.1° | 109.5° |
C7 | N | C8 | 108.9° | 109.4° |
C7 | N | C6 | 111.6° | 109.5° |
N | C7 | H71 | 109.5° | 109.4° |
N | C7 | H72 | 109.4° | 109.5° |
N | C7 | H73 | 109.5° | 109.4° |
C8 | N | C6 | 108.9° | 109.5° |
N | C8 | H81 | 109.4° | 109.4° |
N | C8 | H82 | 109.5° | 109.5° |
N | C8 | H83 | 109.5° | 109.5° |
N | C6 | H61 | 109.5° | 109.5° |
N | C6 | H62 | 109.4° | 109.5° |
N | C6 | H63 | 109.5° | 109.5° |
H71 | C7 | H72 | 109.5° | 109.5° |
H71 | C7 | H73 | 109.4° | 109.5° |
H72 | C7 | H73 | 109.5° | 109.5° |
H81 | C8 | H82 | 109.5° | 109.5° |
H81 | C8 | H83 | 109.4° | 109.4° |
H82 | C8 | H83 | 109.5° | 109.5° |
H61 | C6 | H62 | 109.5° | 109.5° |
H61 | C6 | H63 | 109.5° | 109.4° |
H62 | C6 | H63 | 109.5° | 109.5° |
O3 | C3 | H31 | 105.0° | 109.5° |
O3 | C3 | H32 | 106.9° | 109.5° |
C3 | O3 | C11 | 113.5° | 120.0° |
H31 | C3 | H32 | 116.0° | 109.4° |
O3 | C11 | O11 | 119.3° | 120.0° |
O3 | C11 | C12 | 121.1° | 120.0° |
O11 | C11 | C12 | 119.6° | 120.0° |
C11 | C12 | C13 | 112.3° | 109.5° |
C11 | C12 | H121 | 107.9° | 109.5° |
C11 | C12 | H122 | 108.5° | 109.5° |
C13 | C12 | H121 | 107.9° | 109.5° |
C13 | C12 | H122 | 108.5° | 109.4° |
C12 | C13 | C14 | 111.8° | 109.5° |
C12 | C13 | H131 | 108.1° | 109.5° |
C12 | C13 | H132 | 108.7° | 109.4° |
H121 | C12 | H122 | 111.7° | 109.4° |
C14 | C13 | H131 | 108.2° | 109.5° |
C14 | C13 | H132 | 108.7° | 109.5° |
C13 | C14 | C15 | 114.6° | 109.5° |
C13 | C14 | H141 | 106.7° | 109.5° |
C13 | C14 | H142 | 107.8° | 109.5° |
H131 | C13 | H132 | 111.4° | 109.5° |
C15 | C14 | H141 | 106.6° | 109.5° |
C15 | C14 | H142 | 107.8° | 109.5° |
C14 | C15 | C16 | 109.7° | 109.5° |
C14 | C15 | H151 | 109.4° | 109.5° |
C14 | C15 | H152 | 109.4° | 109.5° |
H141 | C14 | H142 | 113.5° | 109.4° |
C16 | C15 | H151 | 109.4° | 109.5° |
C16 | C15 | H152 | 109.4° | 109.5° |
C15 | C16 | C17 | 115.5° | 109.5° |
C15 | C16 | H161 | 106.1° | 109.5° |
C15 | C16 | H162 | 107.5° | 109.5° |
H151 | C15 | H152 | 109.6° | 109.4° |
C17 | C16 | H161 | 106.1° | 109.5° |
C17 | C16 | H162 | 107.5° | 109.4° |
C16 | C17 | C18 | 111.2° | 109.5° |
C16 | C17 | H171 | 108.5° | 109.5° |
C16 | C17 | H172 | 108.9° | 109.4° |
H161 | C16 | H162 | 114.3° | 109.5° |
C18 | C17 | H171 | 108.5° | 109.5° |
C18 | C17 | H172 | 108.9° | 109.5° |
C17 | C18 | C19 | 112.8° | 109.5° |
C17 | C18 | H181 | 107.6° | 109.5° |
C17 | C18 | H182 | 108.4° | 109.4° |
H171 | C17 | H172 | 110.8° | 109.4° |
C19 | C18 | H181 | 107.6° | 109.5° |
C19 | C18 | H182 | 108.3° | 109.4° |
C18 | C19 | BR1 | 112.4° | 109.4° |
C18 | C19 | C20 | 109.0° | 109.5° |
C18 | C19 | H19 | 108.5° | 109.5° |
H181 | C18 | H182 | 112.2° | 109.5° |
BR1 | C19 | C20 | 111.5° | 109.5° |
BR1 | C19 | H19 | 105.8° | 109.4° |
C20 | C19 | H19 | 109.5° | 109.5° |
C19 | C20 | BR2 | 109.1° | 109.4° |
C19 | C20 | C21 | 114.5° | 109.5° |
C19 | C20 | H20 | 106.3° | 109.5° |
BR2 | C20 | C21 | 109.9° | 109.5° |
BR2 | C20 | H20 | 111.3° | 109.4° |
C21 | C20 | H20 | 105.6° | 109.5° |
C20 | C21 | C22 | 110.0° | 109.5° |
C20 | C21 | H211 | 109.2° | 109.5° |
C20 | C21 | H212 | 109.3° | 109.5° |
C22 | C21 | H211 | 109.2° | 109.4° |
C22 | C21 | H212 | 109.3° | 109.5° |
C21 | C22 | C23 | 109.4° | 109.5° |
C21 | C22 | H221 | 109.5° | 109.5° |
C21 | C22 | H222 | 109.5° | 109.5° |
H211 | C21 | H212 | 109.9° | 109.5° |
C23 | C22 | H221 | 109.5° | 109.5° |
C23 | C22 | H222 | 109.5° | 109.5° |
C22 | C23 | C24 | 110.9° | 109.5° |
C22 | C23 | H231 | 108.7° | 109.5° |
C22 | C23 | H232 | 109.0° | 109.5° |
H221 | C22 | H222 | 109.5° | 109.4° |
C24 | C23 | H231 | 108.7° | 109.5° |
C24 | C23 | H232 | 109.0° | 109.5° |
C23 | C24 | C25 | 114.7° | 109.5° |
C23 | C24 | H241 | 106.6° | 109.5° |
C23 | C24 | H242 | 107.8° | 109.5° |
H231 | C23 | H232 | 110.6° | 109.4° |
C25 | C24 | H241 | 106.6° | 109.5° |
C25 | C24 | H242 | 107.8° | 109.4° |
C24 | C25 | C26 | 112.4° | 109.5° |
C24 | C25 | H251 | 107.8° | 109.5° |
C24 | C25 | H252 | 108.5° | 109.4° |
H241 | C24 | H242 | 113.6° | 109.5° |
C26 | C25 | H251 | 107.8° | 109.5° |
C26 | C25 | H252 | 108.5° | 109.5° |
C25 | C26 | C27 | 113.1° | 109.5° |
C25 | C26 | H261 | 107.4° | 109.5° |
C25 | C26 | H262 | 108.3° | 109.4° |
H251 | C25 | H252 | 111.8° | 109.4° |
C27 | C26 | H261 | 107.4° | 109.5° |
C27 | C26 | H262 | 108.3° | 109.5° |
C26 | C27 | C28 | 113.0° | 109.5° |
C26 | C27 | H271 | 107.5° | 109.5° |
C26 | C27 | H272 | 108.3° | 109.5° |
H261 | C26 | H262 | 112.4° | 109.5° |
C28 | C27 | H271 | 107.5° | 109.5° |
C28 | C27 | H272 | 108.3° | 109.4° |
C27 | C28 | H281 | 109.4° | 109.5° |
C27 | C28 | H282 | 109.5° | 109.4° |
C27 | C28 | H283 | 109.5° | 109.4° |
H271 | C27 | H272 | 112.2° | 109.4° |
H281 | C28 | H282 | 109.5° | 109.5° |
H281 | C28 | H283 | 109.5° | 109.5° |
H282 | C28 | H283 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C47 | C48 | H481 | H482 | 120.0° | 120.1° |
C47 | C48 | H481 | H483 | 120.0° | 120.0° |
C47 | C48 | H482 | H483 | 120.0° | 120.0° |
C48 | C47 | C46 | H471 | 119.1° | 120.0° |
C48 | C47 | C46 | H472 | 120.0° | 120.0° |
C48 | C47 | H471 | H472 | 119.4° | 120.1° |
C48 | C47 | C46 | C45 | 80.9° | 180.0° |
C48 | C47 | C46 | H461 | 38.2° | 60.0° |
C48 | C47 | C46 | H462 | 159.1° | 59.9° |
H481 | C48 | H482 | H483 | 120.0° | 119.9° |
H481 | C48 | C47 | C46 | 82.5° | 60.0° |
H481 | C48 | C47 | H471 | 158.4° | 180.0° |
H481 | C48 | C47 | H472 | 37.5° | 60.0° |
H482 | C48 | C47 | C46 | 157.4° | 60.0° |
H482 | C48 | C47 | H471 | 38.3° | 60.0° |
H482 | C48 | C47 | H472 | 82.5° | 180.0° |
H483 | C48 | C47 | C46 | 37.5° | 180.0° |
H483 | C48 | C47 | H471 | 81.6° | 60.0° |
H483 | C48 | C47 | H472 | 157.5° | 60.0° |
C46 | C47 | H471 | H472 | 119.4° | 119.9° |
C47 | C46 | C45 | H461 | 119.2° | 120.0° |
C47 | C46 | C45 | H462 | 120.0° | 120.1° |
C47 | C46 | H461 | H462 | 119.5° | 119.9° |
C47 | C46 | C45 | C44 | 172.3° | 180.0° |
C47 | C46 | C45 | H451 | 53.7° | 60.0° |
C47 | C46 | C45 | H452 | 67.7° | 59.9° |
H471 | C47 | C46 | C45 | 159.9° | 60.0° |
H471 | C47 | C46 | H461 | 80.9° | 180.0° |
H471 | C47 | C46 | H462 | 40.0° | 60.1° |
H472 | C47 | C46 | C45 | 39.1° | 59.9° |
H472 | C47 | C46 | H461 | 158.2° | 60.1° |
H472 | C47 | C46 | H462 | 80.9° | 180.0° |
C45 | C46 | H461 | H462 | 119.4° | 120.0° |
C46 | C45 | C44 | H451 | 118.6° | 120.0° |
C46 | C45 | C44 | H452 | 120.0° | 120.1° |
C46 | C45 | H451 | H452 | 119.1° | 120.0° |
C46 | C45 | C44 | C43 | 178.2° | 180.0° |
C46 | C45 | C44 | H441 | 57.9° | 60.0° |
C46 | C45 | C44 | H442 | 61.8° | 59.9° |
H461 | C46 | C45 | C44 | 68.5° | 60.0° |
H461 | C46 | C45 | H451 | 172.8° | 180.0° |
H461 | C46 | C45 | H452 | 51.5° | 60.1° |
H462 | C46 | C45 | C44 | 52.3° | 59.9° |
H462 | C46 | C45 | H451 | 66.3° | 60.1° |
H462 | C46 | C45 | H452 | 172.3° | NaN° |
C44 | C45 | H451 | H452 | 119.1° | 120.0° |
C45 | C44 | C43 | H441 | 120.3° | 120.0° |
C45 | C44 | C43 | H442 | 120.0° | 120.0° |
C45 | C44 | H441 | H442 | 120.2° | 120.0° |
C45 | C44 | C43 | C42 | 168.6° | 180.0° |
C45 | C44 | C43 | H431 | 73.4° | 60.0° |
C45 | C44 | C43 | H432 | 48.6° | 60.0° |
H451 | C45 | C44 | C43 | 63.2° | 60.0° |
H451 | C45 | C44 | H441 | 176.6° | 180.0° |
H451 | C45 | C44 | H442 | 56.8° | 60.1° |
H452 | C45 | C44 | C43 | 58.2° | 60.0° |
H452 | C45 | C44 | H441 | 62.1° | 60.1° |
H452 | C45 | C44 | H442 | 178.1° | 180.0° |
C43 | C44 | H441 | H442 | 120.1° | 120.0° |
C44 | C43 | C42 | H431 | 118.0° | 120.0° |
C44 | C43 | C42 | H432 | 120.0° | 120.0° |
C44 | C43 | H431 | H432 | 118.7° | 120.0° |
C44 | C43 | C42 | C41 | 54.1° | 180.0° |
C44 | C43 | C42 | H421 | 172.5° | 60.0° |
C44 | C43 | C42 | H422 | 65.9° | 60.0° |
H441 | C44 | C43 | C42 | 48.3° | 60.0° |
H441 | C44 | C43 | H431 | 166.3° | 180.0° |
H441 | C44 | C43 | H432 | 71.7° | 60.0° |
H442 | C44 | C43 | C42 | 71.4° | 60.0° |
H442 | C44 | C43 | H431 | 46.5° | 60.0° |
H442 | C44 | C43 | H432 | 168.5° | 180.0° |
C42 | C43 | H431 | H432 | 118.7° | 120.0° |
C43 | C42 | C41 | H421 | 118.4° | 120.0° |
C43 | C42 | C41 | H422 | 120.0° | 120.0° |
C43 | C42 | H421 | H422 | 119.0° | 120.0° |
C43 | C42 | C41 | C40 | 125.4° | NaN° |
C43 | C42 | C41 | H411 | 114.2° | 60.0° |
C43 | C42 | C41 | H412 | 5.4° | 60.0° |
H431 | C43 | C42 | C41 | 63.9° | 60.0° |
H431 | C43 | C42 | H421 | 54.5° | 180.0° |
H431 | C43 | C42 | H422 | 176.1° | 60.0° |
H432 | C43 | C42 | C41 | 174.1° | 60.0° |
H432 | C43 | C42 | H421 | 67.5° | 60.0° |
H432 | C43 | C42 | H422 | 54.1° | 180.0° |
C41 | C42 | H421 | H422 | 119.0° | 120.0° |
C42 | C41 | C40 | H411 | 120.5° | 120.0° |
C42 | C41 | C40 | H412 | 120.0° | 120.0° |
C42 | C41 | H411 | H412 | 120.3° | 120.0° |
C42 | C41 | C40 | BR4 | 43.7° | 65.0° |
C42 | C41 | C40 | C39 | 170.0° | 175.0° |
C42 | C41 | C40 | H40 | 75.9° | 55.0° |
H421 | C42 | C41 | C40 | 7.0° | 60.0° |
H421 | C42 | C41 | H411 | 127.5° | 180.0° |
H421 | C42 | C41 | H412 | 113.0° | 60.0° |
H422 | C42 | C41 | C40 | 114.6° | 60.0° |
H422 | C42 | C41 | H411 | 5.8° | 60.0° |
H422 | C42 | C41 | H412 | 125.4° | 180.0° |
C40 | C41 | H411 | H412 | 120.3° | 120.0° |
C41 | C40 | BR4 | C39 | 126.1° | 120.0° |
C41 | C40 | BR4 | H40 | 119.8° | 120.0° |
C41 | C40 | C39 | H40 | 119.1° | 120.1° |
C41 | C40 | C39 | BR3 | 46.4° | 60.0° |
C41 | C40 | C39 | C38 | 171.2° | 180.0° |
C41 | C40 | C39 | H39 | 71.8° | 60.0° |
H411 | C41 | C40 | BR4 | 76.8° | 55.0° |
H411 | C41 | C40 | C39 | 49.5° | 65.0° |
H411 | C41 | C40 | H40 | 163.6° | 174.9° |
H412 | C41 | C40 | BR4 | 163.7° | 175.0° |
H412 | C41 | C40 | C39 | 70.0° | 55.0° |
H412 | C41 | C40 | H40 | 44.1° | 65.0° |
BR4 | C40 | C39 | H40 | 118.9° | 119.9° |
BR4 | C40 | C39 | BR3 | 75.6° | 60.0° |
BR4 | C40 | C39 | C38 | 49.2° | 60.0° |
BR4 | C40 | C39 | H39 | 166.3° | 180.0° |
C40 | C39 | BR3 | C38 | 126.2° | 120.0° |
C40 | C39 | BR3 | H39 | 116.5° | 119.9° |
C40 | C39 | C38 | H39 | 116.3° | 119.9° |
C40 | C39 | C38 | C37 | 179.0° | 175.0° |
C40 | C39 | C38 | H381 | 60.0° | 55.0° |
C40 | C39 | C38 | H382 | 61.0° | 65.1° |
H40 | C40 | C39 | BR3 | 165.5° | 180.0° |
H40 | C40 | C39 | C38 | 69.7° | 59.9° |
H40 | C40 | C39 | H39 | 47.4° | 60.1° |
BR3 | C39 | C38 | H39 | 118.3° | 120.0° |
BR3 | C39 | C38 | C37 | 55.6° | 65.0° |
BR3 | C39 | C38 | H381 | 174.7° | 175.0° |
BR3 | C39 | C38 | H382 | 64.4° | 55.0° |
C39 | C38 | C37 | H381 | 119.1° | 120.0° |
C39 | C38 | C37 | H382 | 120.0° | 120.0° |
C39 | C38 | H381 | H382 | 119.4° | 120.1° |
C39 | C38 | C37 | C36 | 155.4° | NaN° |
C39 | C38 | C37 | H371 | 86.8° | 60.0° |
C39 | C38 | C37 | H372 | 35.4° | 60.0° |
H39 | C39 | C38 | C37 | 62.7° | 55.0° |
H39 | C39 | C38 | H381 | 56.4° | 64.9° |
H39 | C39 | C38 | H382 | 177.3° | 175.0° |
C37 | C38 | H381 | H382 | 119.4° | 120.0° |
C38 | C37 | C36 | H371 | 117.8° | 120.0° |
C38 | C37 | C36 | H372 | 120.0° | 119.9° |
C38 | C37 | H371 | H372 | 118.6° | 120.0° |
C38 | C37 | C36 | C35 | 114.6° | 179.9° |
C38 | C37 | C36 | H361 | 127.0° | 60.0° |
C38 | C37 | C36 | H362 | 5.4° | 60.0° |
H381 | C38 | C37 | C36 | 36.3° | 60.0° |
H381 | C38 | C37 | H371 | 154.1° | 180.0° |
H381 | C38 | C37 | H372 | 83.7° | 60.0° |
H382 | C38 | C37 | C36 | 84.7° | 60.0° |
H382 | C38 | C37 | H371 | 33.2° | 60.0° |
H382 | C38 | C37 | H372 | 155.3° | 180.0° |
C36 | C37 | H371 | H372 | 118.7° | 120.0° |
C37 | C36 | C35 | H361 | 118.4° | 120.0° |
C37 | C36 | C35 | H362 | 120.0° | 120.1° |
C37 | C36 | H361 | H362 | 118.9° | 120.0° |
C37 | C36 | C35 | C34 | 99.3° | 180.0° |
C37 | C36 | C35 | H351 | 143.2° | 60.0° |
C37 | C36 | C35 | H352 | 20.6° | 60.0° |
H371 | C37 | C36 | C35 | 3.2° | 60.0° |
H371 | C37 | C36 | H361 | 115.2° | 180.0° |
H371 | C37 | C36 | H362 | 123.2° | 60.0° |
H372 | C37 | C36 | C35 | 125.4° | 60.0° |
H372 | C37 | C36 | H361 | 7.0° | 59.9° |
H372 | C37 | C36 | H362 | 114.6° | 179.9° |
C35 | C36 | H361 | H362 | 119.0° | 120.0° |
C36 | C35 | C34 | H351 | 117.4° | 119.9° |
C36 | C35 | C34 | H352 | 120.0° | 120.1° |
C36 | C35 | H351 | H352 | 118.4° | 120.1° |
C36 | C35 | C34 | C33 | 122.0° | 180.0° |
C36 | C35 | C34 | H341 | 118.8° | 60.1° |
C36 | C35 | C34 | H342 | 2.0° | 60.0° |
H361 | C36 | C35 | C34 | 19.0° | 60.0° |
H361 | C36 | C35 | H351 | 98.4° | 180.0° |
H361 | C36 | C35 | H352 | 139.0° | 60.0° |
H362 | C36 | C35 | C34 | 140.7° | 59.9° |
H362 | C36 | C35 | H351 | 23.2° | 60.0° |
H362 | C36 | C35 | H352 | 99.4° | 180.0° |
C34 | C35 | H351 | H352 | 118.4° | 120.0° |
C35 | C34 | C33 | H341 | 119.2° | 120.0° |
C35 | C34 | C33 | H342 | 120.0° | 120.0° |
C35 | C34 | H341 | H342 | 119.5° | 120.1° |
C35 | C34 | C33 | C32 | 134.8° | 180.0° |
C35 | C34 | C33 | H331 | 107.1° | 60.1° |
C35 | C34 | C33 | H332 | 14.8° | 60.0° |
H351 | C35 | C34 | C33 | 4.6° | 60.0° |
H351 | C35 | C34 | H341 | 123.8° | 180.0° |
H351 | C35 | C34 | H342 | 115.4° | 60.0° |
H352 | C35 | C34 | C33 | 118.0° | 59.9° |
H352 | C35 | C34 | H341 | 1.2° | 60.0° |
H352 | C35 | C34 | H342 | 122.0° | 179.9° |
C33 | C34 | H341 | H342 | 119.5° | 120.0° |
C34 | C33 | C32 | H331 | 118.1° | 119.9° |
C34 | C33 | C32 | H332 | 120.0° | 120.0° |
C34 | C33 | H331 | H332 | 118.8° | 120.0° |
C34 | C33 | C32 | C31 | 118.9° | 180.0° |
C34 | C33 | C32 | H321 | 122.1° | 60.0° |
C34 | C33 | C32 | H322 | 1.1° | 59.9° |
H341 | C34 | C33 | C32 | 15.6° | 60.0° |
H341 | C34 | C33 | H331 | 133.7° | 180.0° |
H341 | C34 | C33 | H332 | 104.4° | 60.0° |
H342 | C34 | C33 | C32 | 105.2° | 60.0° |
H342 | C34 | C33 | H331 | 12.9° | 60.0° |
H342 | C34 | C33 | H332 | 134.8° | 180.0° |
C32 | C33 | H331 | H332 | 118.8° | 120.0° |
C33 | C32 | C31 | H321 | 119.0° | 119.9° |
C33 | C32 | C31 | H322 | 120.0° | 120.0° |
C33 | C32 | H321 | H322 | 119.3° | 120.0° |
C33 | C32 | C31 | O31 | 112.6° | 0.0° |
C33 | C32 | C31 | O2 | 66.9° | 179.9° |
H331 | C33 | C32 | C31 | 0.8° | 60.0° |
H331 | C33 | C32 | H321 | 119.8° | 180.0° |
H331 | C33 | C32 | H322 | 119.2° | 60.0° |
H332 | C33 | C32 | C31 | 121.1° | 60.0° |
H332 | C33 | C32 | H321 | 2.1° | 60.0° |
H332 | C33 | C32 | H322 | 118.9° | 179.9° |
C31 | C32 | H321 | H322 | 119.3° | 120.1° |
C32 | C31 | O31 | O2 | 179.6° | 180.0° |
C32 | C31 | O2 | C2 | 111.5° | 180.0° |
H321 | C32 | C31 | O31 | 6.3° | 120.0° |
H321 | C32 | C31 | O2 | 174.1° | 60.0° |
H322 | C32 | C31 | O31 | 127.4° | 120.0° |
H322 | C32 | C31 | O2 | 53.0° | 60.0° |
O31 | C31 | O2 | C2 | 68.9° | 0.1° |
C31 | O2 | C2 | C1 | 109.7° | 90.0° |
C31 | O2 | C2 | C3 | 125.8° | 150.1° |
C31 | O2 | C2 | H2 | 8.3° | 30.1° |
O2 | C2 | C1 | C3 | 124.3° | 120.0° |
O2 | C2 | C1 | H2 | 118.3° | 120.0° |
O2 | C2 | C3 | H2 | 118.2° | 120.0° |
O2 | C2 | C1 | O3P | 9.2° | 65.0° |
O2 | C2 | C1 | H11 | 127.4° | 175.0° |
O2 | C2 | C1 | H12 | 110.8° | 55.0° |
O2 | C2 | C3 | O3 | 19.1° | 65.0° |
O2 | C2 | C3 | H31 | 135.3° | 174.9° |
O2 | C2 | C3 | H32 | 100.9° | 55.0° |
C1 | C2 | C3 | H2 | 117.9° | 120.0° |
C2 | C1 | O3P | H11 | 118.2° | 120.0° |
C2 | C1 | O3P | H12 | 120.0° | 120.0° |
C2 | C1 | H11 | H12 | 118.9° | 120.0° |
C2 | C1 | O3P | P | 172.4° | 180.0° |
C1 | C2 | C3 | O3 | 104.9° | 55.0° |
C1 | C2 | C3 | H31 | 11.4° | 65.1° |
C1 | C2 | C3 | H32 | 135.1° | 175.0° |
C3 | C2 | C1 | O3P | 133.5° | 55.0° |
C3 | C2 | C1 | H11 | 108.3° | 65.0° |
C3 | C2 | C1 | H12 | 13.5° | 175.0° |
C2 | C3 | O3 | H31 | 116.2° | 120.0° |
C2 | C3 | O3 | H32 | 120.0° | 120.0° |
C2 | C3 | H31 | H32 | 117.7° | 120.0° |
C2 | C3 | O3 | C11 | 126.8° | 180.0° |
H2 | C2 | C1 | O3P | 109.1° | 175.0° |
H2 | C2 | C1 | H11 | 9.2° | 55.0° |
H2 | C2 | C1 | H12 | 131.0° | 65.0° |
H2 | C2 | C3 | O3 | 137.3° | 175.0° |
H2 | C2 | C3 | H31 | 106.5° | 55.0° |
H2 | C2 | C3 | H32 | 17.2° | 65.0° |
O3P | C1 | H11 | H12 | 118.8° | 120.1° |
C1 | O3P | P | O1P | 95.4° | 65.0° |
C1 | O3P | P | O2P | 36.5° | 55.0° |
C1 | O3P | P | O4P | 149.9° | 175.0° |
H11 | C1 | O3P | P | 54.2° | 60.1° |
H12 | C1 | O3P | P | 67.6° | 60.0° |
O3P | P | O1P | O2P | 127.3° | 120.0° |
O3P | P | O1P | O4P | 112.3° | 120.0° |
O3P | P | O2P | O4P | 112.4° | 120.0° |
O3P | P | O1P | HO1P | 29.3° | 60.0° |
O3P | P | O4P | C4 | 161.7° | 175.0° |
O1P | P | O2P | O4P | 121.4° | 120.0° |
O1P | P | O4P | C4 | 46.8° | 65.0° |
O2P | P | O1P | HO1P | 98.0° | 180.0° |
O2P | P | O4P | C4 | 81.5° | 55.0° |
O4P | P | O1P | HO1P | 141.6° | 60.0° |
P | O4P | C4 | C5 | 83.3° | 180.0° |
P | O4P | C4 | H41 | 157.0° | 60.1° |
P | O4P | C4 | H42 | 36.7° | 60.0° |
O4P | C4 | C5 | H41 | 119.7° | 120.0° |
O4P | C4 | C5 | H42 | 120.0° | 120.0° |
O4P | C4 | H41 | H42 | 119.8° | 120.0° |
O4P | C4 | C5 | N | 132.5° | 66.5° |
O4P | C4 | C5 | H51 | 107.8° | 173.5° |
O4P | C4 | C5 | H52 | 12.5° | 53.4° |
C5 | C4 | H41 | H42 | 119.8° | 120.0° |
C4 | C5 | N | H51 | 119.7° | 120.0° |
C4 | C5 | N | H52 | 120.0° | 120.0° |
C4 | C5 | H51 | H52 | 119.8° | 120.0° |
C4 | C5 | N | C7 | 172.4° | 54.4° |
C4 | C5 | N | C8 | 68.8° | 174.4° |
C4 | C5 | N | C6 | 50.3° | 65.6° |
H41 | C4 | C5 | N | 12.8° | 53.5° |
H41 | C4 | C5 | H51 | 132.4° | 66.5° |
H41 | C4 | C5 | H52 | 107.2° | 173.4° |
H42 | C4 | C5 | N | 107.5° | 173.5° |
H42 | C4 | C5 | H51 | 12.2° | 53.5° |
H42 | C4 | C5 | H52 | 132.5° | 66.5° |
N | C5 | H51 | H52 | 119.8° | 120.0° |
C5 | N | C7 | C8 | 119.1° | 120.0° |
C5 | N | C7 | C6 | 120.6° | 120.0° |
C5 | N | C8 | C6 | 119.3° | 120.1° |
C5 | N | C7 | H71 | 152.2° | 60.0° |
C5 | N | C7 | H72 | 87.8° | 180.0° |
C5 | N | C7 | H73 | 32.2° | 60.0° |
C5 | N | C8 | H81 | 159.1° | 60.0° |
C5 | N | C8 | H82 | 80.9° | 180.0° |
C5 | N | C8 | H83 | 39.1° | 59.9° |
C5 | N | C6 | H61 | 112.4° | 71.0° |
C5 | N | C6 | H62 | 7.6° | 169.0° |
C5 | N | C6 | H63 | 127.6° | 49.0° |
H51 | C5 | N | C7 | 52.7° | 65.5° |
H51 | C5 | N | C8 | 171.6° | 54.4° |
H51 | C5 | N | C6 | 69.3° | 174.4° |
H52 | C5 | N | C7 | 67.6° | 174.4° |
H52 | C5 | N | C8 | 51.2° | 65.6° |
H52 | C5 | N | C6 | 170.3° | 54.4° |
C7 | N | C8 | C6 | 121.9° | 120.0° |
N | C7 | H71 | H72 | 120.0° | 120.0° |
N | C7 | H71 | H73 | 120.0° | 120.0° |
N | C7 | H72 | H73 | 120.0° | 119.9° |
C7 | N | C8 | H81 | 82.2° | 180.0° |
C7 | N | C8 | H82 | 37.9° | 60.0° |
C7 | N | C8 | H83 | 157.9° | 60.0° |
C7 | N | C6 | H61 | 127.3° | 49.0° |
C7 | N | C6 | H62 | 112.8° | 71.0° |
C7 | N | C6 | H63 | 7.3° | 169.0° |
C8 | N | C7 | H71 | 33.1° | 60.0° |
C8 | N | C7 | H72 | 153.1° | 60.0° |
C8 | N | C7 | H73 | 86.9° | 180.0° |
N | C8 | H81 | H82 | 120.0° | 120.0° |
N | C8 | H81 | H83 | 120.0° | 120.0° |
N | C8 | H82 | H83 | 120.0° | 120.1° |
C8 | N | C6 | H61 | 7.0° | 169.0° |
C8 | N | C6 | H62 | 127.0° | 49.0° |
C8 | N | C6 | H63 | 113.0° | 71.1° |
C6 | N | C7 | H71 | 87.3° | 180.0° |
C6 | N | C7 | H72 | 32.8° | 60.0° |
C6 | N | C7 | H73 | 152.8° | 60.0° |
C6 | N | C8 | H81 | 39.8° | 60.0° |
C6 | N | C8 | H82 | 159.8° | 60.0° |
C6 | N | C8 | H83 | 80.2° | 180.0° |
N | C6 | H61 | H62 | 120.0° | 120.0° |
N | C6 | H61 | H63 | 120.0° | 120.0° |
N | C6 | H62 | H63 | 120.0° | 120.0° |
H71 | C7 | H72 | H73 | 120.0° | 120.1° |
H81 | C8 | H82 | H83 | 120.0° | 120.0° |
H61 | C6 | H62 | H63 | 120.0° | 120.0° |
O3 | C3 | H31 | H32 | 117.7° | 120.0° |
C3 | O3 | C11 | O11 | 20.6° | 0.0° |
C3 | O3 | C11 | C12 | 159.9° | 180.0° |
H31 | C3 | O3 | C11 | 117.0° | 60.0° |
H32 | C3 | O3 | C11 | 6.7° | 60.0° |
O3 | C11 | O11 | C12 | 179.5° | 180.0° |
O3 | C11 | C12 | C13 | 178.3° | 180.0° |
O3 | C11 | C12 | H121 | 62.9° | 60.0° |
O3 | C11 | C12 | H122 | 58.3° | 60.0° |
O11 | C11 | C12 | C13 | 2.2° | 0.0° |
O11 | C11 | C12 | H121 | 116.6° | 120.0° |
O11 | C11 | C12 | H122 | 122.2° | 120.0° |
C11 | C12 | C13 | H121 | 118.8° | 120.0° |
C11 | C12 | C13 | H122 | 120.0° | 120.0° |
C11 | C12 | H121 | H122 | 119.2° | 120.0° |
C11 | C12 | C13 | C14 | 140.6° | 180.0° |
C11 | C12 | C13 | H131 | 100.5° | 60.0° |
C11 | C12 | C13 | H132 | 20.6° | 60.0° |
C13 | C12 | H121 | H122 | 119.2° | 120.0° |
C12 | C13 | C14 | H131 | 119.0° | 120.0° |
C12 | C13 | C14 | H132 | 120.0° | 120.0° |
C12 | C13 | H131 | H132 | 119.3° | 120.0° |
C12 | C13 | C14 | C15 | 124.4° | 180.0° |
C12 | C13 | C14 | H141 | 117.9° | 59.9° |
C12 | C13 | C14 | H142 | 4.4° | 60.0° |
H121 | C12 | C13 | C14 | 21.8° | 59.9° |
H121 | C12 | C13 | H131 | 140.8° | 180.0° |
H121 | C12 | C13 | H132 | 98.2° | 60.0° |
H122 | C12 | C13 | C14 | 99.5° | 60.0° |
H122 | C12 | C13 | H131 | 19.5° | 60.0° |
H122 | C12 | C13 | H132 | 140.6° | 180.0° |
C14 | C13 | H131 | H132 | 119.4° | 120.0° |
C13 | C14 | C15 | H141 | 117.7° | 120.0° |
C13 | C14 | C15 | H142 | 120.0° | 120.0° |
C13 | C14 | H141 | H142 | 118.6° | 120.0° |
C13 | C14 | C15 | C16 | 172.3° | NaN° |
C13 | C14 | C15 | H151 | 52.4° | 60.0° |
C13 | C14 | C15 | H152 | 67.7° | 60.0° |
H131 | C13 | C14 | C15 | 5.4° | 60.0° |
H131 | C13 | C14 | H141 | 123.2° | 179.9° |
H131 | C13 | C14 | H142 | 114.6° | 60.0° |
H132 | C13 | C14 | C15 | 115.6° | 60.0° |
H132 | C13 | C14 | H141 | 2.1° | 60.0° |
H132 | C13 | C14 | H142 | 124.3° | 180.0° |
C15 | C14 | H141 | H142 | 118.6° | 120.0° |
C14 | C15 | C16 | H151 | 119.9° | 120.1° |
C14 | C15 | C16 | H152 | 120.0° | 120.0° |
C14 | C15 | H151 | H152 | 119.9° | 120.0° |
C14 | C15 | C16 | C17 | 175.5° | 180.0° |
C14 | C15 | C16 | H161 | 67.2° | 60.0° |
C14 | C15 | C16 | H162 | 55.5° | 60.0° |
H141 | C14 | C15 | C16 | 70.0° | 60.0° |
H141 | C14 | C15 | H151 | 170.1° | 180.0° |
H141 | C14 | C15 | H152 | 50.0° | 60.0° |
H142 | C14 | C15 | C16 | 52.3° | 60.0° |
H142 | C14 | C15 | H151 | 67.6° | 60.0° |
H142 | C14 | C15 | H152 | 172.3° | NaN° |
C16 | C15 | H151 | H152 | 120.0° | 120.0° |
C15 | C16 | C17 | H161 | 117.3° | 120.0° |
C15 | C16 | C17 | H162 | 120.0° | 120.0° |
C15 | C16 | H161 | H162 | 118.3° | 120.0° |
C15 | C16 | C17 | C18 | 149.6° | 180.0° |
C15 | C16 | C17 | H171 | 30.3° | 59.9° |
C15 | C16 | C17 | H172 | 90.4° | 60.0° |
H151 | C15 | C16 | C17 | 55.6° | 59.9° |
H151 | C15 | C16 | H161 | 172.9° | 179.9° |
H151 | C15 | C16 | H162 | 64.4° | 60.0° |
H152 | C15 | C16 | C17 | 64.5° | 60.0° |
H152 | C15 | C16 | H161 | 52.8° | 60.0° |
H152 | C15 | C16 | H162 | 175.5° | 180.0° |
C17 | C16 | H161 | H162 | 118.3° | 120.0° |
C16 | C17 | C18 | H171 | 119.3° | 120.1° |
C16 | C17 | C18 | H172 | 120.0° | 120.0° |
C16 | C17 | H171 | H172 | 119.5° | 120.0° |
C16 | C17 | C18 | C19 | 140.0° | 180.0° |
C16 | C17 | C18 | H181 | 21.5° | 60.0° |
C16 | C17 | C18 | H182 | 100.0° | 60.1° |
H161 | C16 | C17 | C18 | 93.1° | 60.0° |
H161 | C16 | C17 | H171 | 147.6° | 180.0° |
H161 | C16 | C17 | H172 | 26.9° | 60.0° |
H162 | C16 | C17 | C18 | 29.6° | 60.0° |
H162 | C16 | C17 | H171 | 89.7° | 60.0° |
H162 | C16 | C17 | H172 | 149.6° | 180.0° |
C18 | C17 | H171 | H172 | 119.6° | 120.0° |
C17 | C18 | C19 | H181 | 118.5° | 120.0° |
C17 | C18 | C19 | H182 | 120.0° | 119.9° |
C17 | C18 | H181 | H182 | 119.1° | 120.0° |
C17 | C18 | C19 | BR1 | 101.3° | 65.0° |
C17 | C18 | C19 | C20 | 134.5° | 175.0° |
C17 | C18 | C19 | H19 | 15.4° | 54.9° |
H171 | C17 | C18 | C19 | 100.7° | 59.9° |
H171 | C17 | C18 | H181 | 140.8° | 180.0° |
H171 | C17 | C18 | H182 | 19.3° | 60.0° |
H172 | C17 | C18 | C19 | 20.0° | 60.0° |
H172 | C17 | C18 | H181 | 98.5° | 60.0° |
H172 | C17 | C18 | H182 | 140.0° | 180.0° |
C19 | C18 | H181 | H182 | 119.1° | 120.0° |
C18 | C19 | BR1 | C20 | 122.7° | 120.0° |
C18 | C19 | BR1 | H19 | 118.3° | 120.0° |
C18 | C19 | C20 | H19 | 118.5° | 120.1° |
C18 | C19 | C20 | BR2 | 83.2° | 60.0° |
C18 | C19 | C20 | C21 | 153.2° | 180.0° |
C18 | C19 | C20 | H20 | 37.0° | 59.9° |
H181 | C18 | C19 | BR1 | 17.2° | 55.0° |
H181 | C18 | C19 | C20 | 107.0° | 65.0° |
H181 | C18 | C19 | H19 | 133.9° | 174.9° |
H182 | C18 | C19 | BR1 | 138.7° | 175.0° |
H182 | C18 | C19 | C20 | 14.5° | 55.1° |
H182 | C18 | C19 | H19 | 104.6° | 65.0° |
BR1 | C19 | C20 | H19 | 116.8° | 120.0° |
BR1 | C19 | C20 | BR2 | 152.1° | 180.0° |
BR1 | C19 | C20 | C21 | 28.5° | 60.0° |
BR1 | C19 | C20 | H20 | 87.7° | 60.0° |
C19 | C20 | BR2 | C21 | 126.3° | 120.0° |
C19 | C20 | BR2 | H20 | 117.1° | 120.0° |
C19 | C20 | C21 | H20 | 116.6° | 120.1° |
C19 | C20 | C21 | C22 | 150.1° | 175.0° |
C19 | C20 | C21 | H211 | 30.3° | 65.0° |
C19 | C20 | C21 | H212 | 89.9° | 55.0° |
H19 | C19 | C20 | BR2 | 35.3° | 60.1° |
H19 | C19 | C20 | C21 | 88.3° | 59.9° |
H19 | C19 | C20 | H20 | 155.5° | NaN° |
BR2 | C20 | C21 | H20 | 120.1° | 120.0° |
BR2 | C20 | C21 | C22 | 26.8° | 65.0° |
BR2 | C20 | C21 | H211 | 92.9° | 55.0° |
BR2 | C20 | C21 | H212 | 146.9° | 175.0° |
C20 | C21 | C22 | H211 | 119.8° | 120.0° |
C20 | C21 | C22 | H212 | 120.0° | 120.0° |
C20 | C21 | H211 | H212 | 119.8° | 120.0° |
C20 | C21 | C22 | C23 | 66.2° | 180.0° |
C20 | C21 | C22 | H221 | 173.8° | 59.9° |
C20 | C21 | C22 | H222 | 53.8° | 60.0° |
H20 | C20 | C21 | C22 | 93.3° | 54.9° |
H20 | C20 | C21 | H211 | 146.9° | 174.9° |
H20 | C20 | C21 | H212 | 26.7° | 65.1° |
C22 | C21 | H211 | H212 | 119.9° | 120.0° |
C21 | C22 | C23 | H221 | 120.0° | 120.0° |
C21 | C22 | C23 | H222 | 120.0° | 120.0° |
C21 | C22 | H221 | H222 | 120.0° | 120.0° |
C21 | C22 | C23 | C24 | 63.3° | 180.0° |
C21 | C22 | C23 | H231 | 177.3° | 60.0° |
C21 | C22 | C23 | H232 | 56.7° | 60.0° |
H211 | C21 | C22 | C23 | 53.6° | 60.0° |
H211 | C21 | C22 | H221 | 66.4° | 180.0° |
H211 | C21 | C22 | H222 | 173.5° | 60.0° |
H212 | C21 | C22 | C23 | 173.8° | 60.0° |
H212 | C21 | C22 | H221 | 53.8° | 60.1° |
H212 | C21 | C22 | H222 | 66.3° | NaN° |
C23 | C22 | H221 | H222 | 120.0° | 120.0° |
C22 | C23 | C24 | H231 | 119.4° | 120.1° |
C22 | C23 | C24 | H232 | 120.0° | 120.0° |
C22 | C23 | H231 | H232 | 119.6° | 120.0° |
C22 | C23 | C24 | C25 | 70.7° | 180.0° |
C22 | C23 | C24 | H241 | 47.0° | 60.0° |
C22 | C23 | C24 | H242 | 169.3° | 60.0° |
H221 | C22 | C23 | C24 | 56.8° | 60.0° |
H221 | C22 | C23 | H231 | 62.6° | 180.0° |
H221 | C22 | C23 | H232 | 176.8° | 60.0° |
H222 | C22 | C23 | C24 | 176.8° | 60.0° |
H222 | C22 | C23 | H231 | 57.4° | 60.0° |
H222 | C22 | C23 | H232 | 63.2° | 180.0° |
C24 | C23 | H231 | H232 | 119.6° | 120.0° |
C23 | C24 | C25 | H241 | 117.7° | 120.0° |
C23 | C24 | C25 | H242 | 120.0° | 120.0° |
C23 | C24 | H241 | H242 | 118.5° | 120.0° |
C23 | C24 | C25 | C26 | 145.2° | 180.0° |
C23 | C24 | C25 | H251 | 96.0° | 59.9° |
C23 | C24 | C25 | H252 | 25.3° | 60.0° |
H231 | C23 | C24 | C25 | 169.9° | 59.9° |
H231 | C23 | C24 | H241 | 72.4° | 179.9° |
H231 | C23 | C24 | H242 | 49.9° | 60.0° |
H232 | C23 | C24 | C25 | 49.3° | 60.0° |
H232 | C23 | C24 | H241 | 167.0° | 60.0° |
H232 | C23 | C24 | H242 | 70.7° | 180.0° |
C25 | C24 | H241 | H242 | 118.6° | 120.0° |
C24 | C25 | C26 | H251 | 118.7° | 120.1° |
C24 | C25 | C26 | H252 | 120.0° | 120.0° |
C24 | C25 | H251 | H252 | 119.2° | 119.9° |
C24 | C25 | C26 | C27 | 175.6° | 180.0° |
C24 | C25 | C26 | H261 | 57.2° | 60.0° |
C24 | C25 | C26 | H262 | 64.4° | 60.1° |
H241 | C24 | C25 | C26 | 27.6° | 60.0° |
H241 | C24 | C25 | H251 | 146.3° | 180.0° |
H241 | C24 | C25 | H252 | 92.4° | 60.0° |
H242 | C24 | C25 | C26 | 94.8° | 60.0° |
H242 | C24 | C25 | H251 | 24.0° | 60.1° |
H242 | C24 | C25 | H252 | 145.3° | 180.0° |
C26 | C25 | H251 | H252 | 119.2° | 120.0° |
C25 | C26 | C27 | H261 | 118.4° | 120.0° |
C25 | C26 | C27 | H262 | 120.0° | 119.9° |
C25 | C26 | H261 | H262 | 119.0° | 120.0° |
C25 | C26 | C27 | C28 | 92.7° | 180.0° |
C25 | C26 | C27 | H271 | 25.8° | 60.0° |
C25 | C26 | C27 | H272 | 147.3° | 60.0° |
H251 | C25 | C26 | C27 | 65.6° | 60.0° |
H251 | C25 | C26 | H261 | 175.9° | 180.0° |
H251 | C25 | C26 | H262 | 54.4° | 60.0° |
H252 | C25 | C26 | C27 | 55.6° | 60.0° |
H252 | C25 | C26 | H261 | 62.8° | 60.0° |
H252 | C25 | C26 | H262 | 175.6° | 180.0° |
C27 | C26 | H261 | H262 | 119.0° | 120.0° |
C26 | C27 | C28 | H271 | 118.5° | 120.1° |
C26 | C27 | C28 | H272 | 120.0° | 120.0° |
C26 | C27 | H271 | H272 | 119.0° | 120.0° |
C26 | C27 | C28 | H281 | 173.6° | 180.0° |
C26 | C27 | C28 | H282 | 66.4° | 60.0° |
C26 | C27 | C28 | H283 | 53.6° | 60.0° |
H261 | C26 | C27 | C28 | 148.9° | 60.0° |
H261 | C26 | C27 | H271 | 92.6° | 180.0° |
H261 | C26 | C27 | H272 | 28.9° | 60.0° |
H262 | C26 | C27 | C28 | 27.3° | 60.0° |
H262 | C26 | C27 | H271 | 145.8° | 60.0° |
H262 | C26 | C27 | H272 | 92.7° | 180.0° |
C28 | C27 | H271 | H272 | 119.0° | 119.9° |
C27 | C28 | H281 | H282 | 120.0° | 119.9° |
C27 | C28 | H281 | H283 | 120.0° | 120.0° |
C27 | C28 | H282 | H283 | 120.0° | 120.0° |
H271 | C27 | C28 | H281 | 55.1° | 59.9° |
H271 | C27 | C28 | H282 | 175.1° | 60.0° |
H271 | C27 | C28 | H283 | 64.9° | 180.0° |
H272 | C27 | C28 | H281 | 66.4° | 60.0° |
H272 | C27 | C28 | H282 | 53.6° | 179.9° |
H272 | C27 | C28 | H283 | 173.6° | 60.1° |
H281 | C28 | H282 | H283 | 120.0° | 120.1° |