DPG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | O1 | sing | 1.43Å | 1.45Å | |
C1 | H11 | sing | 1.09Å | 1.11Å | |
C1 | H12 | sing | 1.09Å | 1.12Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.59Å | |
C4 | O6 | sing | 1.43Å | 1.48Å | |
C4 | H41 | sing | 1.09Å | 1.12Å | |
C4 | H42 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.56Å | |
C5 | O7 | sing | 1.43Å | 1.46Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O8 | sing | 1.43Å | 1.45Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
C11 | C12 | sing | 1.53Å | 1.53Å | |
C11 | O1 | sing | 1.43Å | 1.45Å | |
C11 | H111 | sing | 1.09Å | 1.11Å | |
C11 | H112 | sing | 1.09Å | 1.12Å | |
C12 | C13 | sing | 1.53Å | 1.51Å | |
C12 | H121 | sing | 1.09Å | 1.11Å | |
C12 | H122 | sing | 1.09Å | 1.12Å | |
C13 | C14 | sing | 1.53Å | 1.50Å | |
C13 | C15 | sing | 1.53Å | 1.50Å | |
C13 | H13 | sing | 1.09Å | 1.11Å | |
C14 | H141 | sing | 1.09Å | 1.12Å | |
C14 | H142 | sing | 1.09Å | 1.11Å | |
C14 | H143 | sing | 1.09Å | 1.11Å | |
C15 | C16 | sing | 1.53Å | 1.54Å | |
C15 | H151 | sing | 1.09Å | 1.12Å | |
C15 | H152 | sing | 1.09Å | 1.12Å | |
C16 | C17 | sing | 1.53Å | 1.54Å | |
C16 | H161 | sing | 1.09Å | 1.12Å | |
C16 | H162 | sing | 1.09Å | 1.12Å | |
C17 | C18 | sing | 1.53Å | 1.57Å | |
C17 | H171 | sing | 1.09Å | 1.12Å | |
C17 | H172 | sing | 1.09Å | 1.11Å | |
C18 | C19 | sing | 1.53Å | 1.53Å | |
C18 | C20 | sing | 1.53Å | 1.54Å | |
C18 | H18 | sing | 1.09Å | 1.11Å | |
C19 | H191 | sing | 1.09Å | 1.12Å | |
C19 | H192 | sing | 1.09Å | 1.12Å | |
C19 | H193 | sing | 1.09Å | 1.11Å | |
C20 | C21 | sing | 1.53Å | 1.53Å | |
C20 | H201 | sing | 1.09Å | 1.11Å | |
C20 | H202 | sing | 1.09Å | 1.12Å | |
C21 | C22 | sing | 1.53Å | 1.55Å | |
C21 | H211 | sing | 1.09Å | 1.12Å | |
C21 | H212 | sing | 1.09Å | 1.11Å | |
C22 | C23 | sing | 1.53Å | 1.60Å | |
C22 | H221 | sing | 1.09Å | 1.11Å | |
C22 | H222 | sing | 1.09Å | 1.12Å | |
C23 | C24 | sing | 1.53Å | 1.54Å | |
C23 | C25 | sing | 1.53Å | 1.57Å | |
C23 | H23 | sing | 1.09Å | 1.12Å | |
C24 | H241 | sing | 1.09Å | 1.12Å | |
C24 | H242 | sing | 1.09Å | 1.12Å | |
C24 | H243 | sing | 1.09Å | 1.11Å | |
C25 | C26 | sing | 1.53Å | 1.51Å | |
C25 | H251 | sing | 1.09Å | 1.11Å | |
C25 | H252 | sing | 1.09Å | 1.11Å | |
C26 | C27 | sing | 1.53Å | 1.49Å | |
C26 | H261 | sing | 1.09Å | 1.12Å | |
C26 | H262 | sing | 1.09Å | 1.12Å | |
C27 | C28 | sing | 1.53Å | 1.49Å | |
C27 | H271 | sing | 1.09Å | 1.11Å | |
C27 | H272 | sing | 1.09Å | 1.11Å | |
C28 | C29 | sing | 1.53Å | 1.52Å | |
C28 | C30 | sing | 1.53Å | 1.53Å | |
C28 | H28 | sing | 1.09Å | 1.12Å | |
C29 | H291 | sing | 1.09Å | 1.12Å | |
C29 | H292 | sing | 1.09Å | 1.11Å | |
C29 | H293 | sing | 1.09Å | 1.11Å | |
C30 | H301 | sing | 1.09Å | 1.12Å | |
C30 | H302 | sing | 1.09Å | 1.11Å | |
C30 | H303 | sing | 1.09Å | 1.11Å | |
C41 | C42 | sing | 1.53Å | 1.55Å | |
C41 | O2 | sing | 1.43Å | 1.44Å | |
C41 | H411 | sing | 1.09Å | 1.12Å | |
C41 | H412 | sing | 1.09Å | 1.12Å | |
C42 | C43 | sing | 1.53Å | 1.56Å | |
C42 | H421 | sing | 1.09Å | 1.12Å | |
C42 | H422 | sing | 1.09Å | 1.11Å | |
C43 | C44 | sing | 1.53Å | 1.57Å | |
C43 | C45 | sing | 1.53Å | 1.59Å | |
C43 | H43 | sing | 1.09Å | 1.12Å | |
C44 | H441 | sing | 1.09Å | 1.12Å | |
C44 | H442 | sing | 1.09Å | 1.11Å | |
C44 | H443 | sing | 1.09Å | 1.11Å | |
C45 | C46 | sing | 1.53Å | 1.58Å | |
C45 | H451 | sing | 1.09Å | 1.11Å | |
C45 | H452 | sing | 1.09Å | 1.11Å | |
C46 | C47 | sing | 1.53Å | 1.56Å | |
C46 | H461 | sing | 1.09Å | 1.12Å | |
C46 | H462 | sing | 1.09Å | 1.12Å | |
C47 | C48 | sing | 1.53Å | 1.55Å | |
C47 | H471 | sing | 1.09Å | 1.11Å | |
C47 | H472 | sing | 1.09Å | 1.12Å | |
C48 | C49 | sing | 1.53Å | 1.54Å | |
C48 | C50 | sing | 1.53Å | 1.53Å | |
C48 | H48 | sing | 1.09Å | 1.12Å | |
C49 | H491 | sing | 1.09Å | 1.12Å | |
C49 | H492 | sing | 1.09Å | 1.12Å | |
C49 | H493 | sing | 1.09Å | 1.11Å | |
C50 | C51 | sing | 1.53Å | 1.53Å | |
C50 | H501 | sing | 1.09Å | 1.11Å | |
C50 | H502 | sing | 1.09Å | 1.12Å | |
C51 | C52 | sing | 1.53Å | 1.53Å | |
C51 | H511 | sing | 1.09Å | 1.12Å | |
C51 | H512 | sing | 1.09Å | 1.11Å | |
C52 | C53 | sing | 1.53Å | 1.60Å | |
C52 | H521 | sing | 1.09Å | 1.11Å | |
C52 | H522 | sing | 1.09Å | 1.12Å | |
C53 | C54 | sing | 1.53Å | 1.58Å | |
C53 | C55 | sing | 1.53Å | 1.56Å | |
C53 | H53 | sing | 1.09Å | 1.11Å | |
C54 | H541 | sing | 1.09Å | 1.12Å | |
C54 | H542 | sing | 1.09Å | 1.11Å | |
C54 | H543 | sing | 1.09Å | 1.12Å | |
C55 | C56 | sing | 1.53Å | 1.54Å | |
C55 | H551 | sing | 1.09Å | 1.11Å | |
C55 | H552 | sing | 1.09Å | 1.12Å | |
C56 | C57 | sing | 1.53Å | 1.52Å | |
C56 | H561 | sing | 1.09Å | 1.11Å | |
C56 | H562 | sing | 1.09Å | 1.11Å | |
C57 | C58 | sing | 1.53Å | 1.54Å | |
C57 | H571 | sing | 1.09Å | 1.12Å | |
C57 | H572 | sing | 1.09Å | 1.11Å | |
C58 | C59 | sing | 1.53Å | 1.54Å | |
C58 | C60 | sing | 1.53Å | 1.54Å | |
C58 | H58 | sing | 1.09Å | 1.11Å | |
C59 | H591 | sing | 1.09Å | 1.12Å | |
C59 | H592 | sing | 1.09Å | 1.12Å | |
C59 | H593 | sing | 1.09Å | 1.12Å | |
C60 | H601 | sing | 1.09Å | 1.12Å | |
C60 | H602 | sing | 1.09Å | 1.12Å | |
C60 | H603 | sing | 1.09Å | 1.11Å | |
O3 | P1 | sing | 1.61Å | 1.63Å | |
O4 | P1 | doub | 1.48Å | 1.48Å | |
O5 | P1 | sing | 1.61Å | 1.51Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
O6 | P1 | sing | 1.61Å | 1.67Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
O8 | P2 | sing | 1.61Å | 1.64Å | |
O9 | P2 | doub | 1.48Å | 1.53Å | |
O10 | P2 | sing | 1.61Å | 1.52Å | |
O10 | HO0 | sing | 0.97Å | 0.95Å | |
O11 | P2 | sing | 1.61Å | 1.51Å | |
O11 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 108.8° | 109.5° |
C2 | C1 | H11 | 112.4° | 109.4° |
C2 | C1 | H12 | 112.4° | 109.5° |
C1 | C2 | C3 | 110.7° | 109.5° |
C1 | C2 | O2 | 109.7° | 109.5° |
C1 | C2 | H2 | 108.2° | 109.5° |
O1 | C1 | H11 | 112.5° | 109.5° |
O1 | C1 | H12 | 112.5° | 109.4° |
C1 | O1 | C11 | 113.4° | 106.8° |
H11 | C1 | H12 | 98.0° | 109.5° |
C3 | C2 | O2 | 108.5° | 109.4° |
C3 | C2 | H2 | 109.4° | 109.5° |
C2 | C3 | O3 | 109.2° | 109.5° |
C2 | C3 | H31 | 112.3° | 109.5° |
C2 | C3 | H32 | 112.3° | 109.5° |
O2 | C2 | H2 | 110.3° | 109.5° |
C2 | O2 | C41 | 115.2° | 106.8° |
O3 | C3 | H31 | 112.3° | 109.5° |
O3 | C3 | H32 | 112.3° | 109.5° |
C3 | O3 | P1 | 118.2° | 106.8° |
H31 | C3 | H32 | 98.1° | 109.4° |
C5 | C4 | O6 | 117.2° | 109.5° |
C5 | C4 | H41 | 109.5° | 109.4° |
C5 | C4 | H42 | 109.4° | 109.6° |
C4 | C5 | C6 | 109.2° | 109.5° |
C4 | C5 | O7 | 115.7° | 109.5° |
C4 | C5 | H5 | 104.8° | 109.5° |
O6 | C4 | H41 | 109.4° | 109.5° |
O6 | C4 | H42 | 109.4° | 109.5° |
C4 | O6 | P1 | 126.5° | 106.8° |
H41 | C4 | H42 | 100.7° | 109.4° |
C6 | C5 | O7 | 107.8° | 109.5° |
C6 | C5 | H5 | 113.1° | 109.4° |
C5 | C6 | O8 | 110.5° | 109.5° |
C5 | C6 | H61 | 111.8° | 109.4° |
C5 | C6 | H62 | 111.8° | 109.5° |
O7 | C5 | H5 | 106.3° | 109.5° |
C5 | O7 | HO7 | 115.7° | 106.7° |
O8 | C6 | H61 | 111.8° | 109.5° |
O8 | C6 | H62 | 111.8° | 109.5° |
C6 | O8 | P2 | 121.1° | 106.8° |
H61 | C6 | H62 | 98.6° | 109.5° |
C12 | C11 | O1 | 109.9° | 109.5° |
C12 | C11 | H111 | 112.0° | 109.4° |
C12 | C11 | H112 | 112.0° | 109.5° |
C11 | C12 | C13 | 112.3° | 109.5° |
C11 | C12 | H121 | 111.2° | 109.5° |
C11 | C12 | H122 | 111.2° | 109.5° |
O1 | C11 | H111 | 112.1° | 109.5° |
O1 | C11 | H112 | 112.1° | 109.4° |
H111 | C11 | H112 | 98.4° | 109.5° |
C13 | C12 | H121 | 111.1° | 109.4° |
C13 | C12 | H122 | 111.1° | 109.5° |
C12 | C13 | C14 | 104.9° | 109.5° |
C12 | C13 | C15 | 111.4° | 109.5° |
C12 | C13 | H13 | 111.9° | 109.5° |
H121 | C12 | H122 | 99.2° | 109.5° |
C14 | C13 | C15 | 111.3° | 109.5° |
C14 | C13 | H13 | 112.0° | 109.5° |
C13 | C14 | H141 | 104.8° | 109.5° |
C13 | C14 | H142 | 114.0° | 109.5° |
C13 | C14 | H143 | 113.9° | 109.4° |
C15 | C13 | H13 | 105.5° | 109.5° |
C13 | C15 | C16 | 119.0° | 109.4° |
C13 | C15 | H151 | 108.8° | 109.4° |
C13 | C15 | H152 | 108.8° | 109.5° |
H141 | C14 | H142 | 114.0° | 109.4° |
H141 | C14 | H143 | 113.9° | 109.5° |
H142 | C14 | H143 | 96.5° | 109.5° |
C16 | C15 | H151 | 108.7° | 109.5° |
C16 | C15 | H152 | 108.7° | 109.5° |
C15 | C16 | C17 | 119.5° | 109.4° |
C15 | C16 | H161 | 108.6° | 109.5° |
C15 | C16 | H162 | 108.6° | 109.5° |
H151 | C15 | H152 | 101.3° | 109.5° |
C17 | C16 | H161 | 108.6° | 109.5° |
C17 | C16 | H162 | 108.6° | 109.4° |
C16 | C17 | C18 | 123.3° | 109.5° |
C16 | C17 | H171 | 107.3° | 109.5° |
C16 | C17 | H172 | 107.3° | 109.4° |
H161 | C16 | H162 | 101.4° | 109.5° |
C18 | C17 | H171 | 107.3° | 109.5° |
C18 | C17 | H172 | 107.3° | 109.4° |
C17 | C18 | C19 | 112.5° | 109.5° |
C17 | C18 | C20 | 115.8° | 109.5° |
C17 | C18 | H18 | 102.5° | 109.5° |
H171 | C17 | H172 | 102.4° | 109.5° |
C19 | C18 | C20 | 108.9° | 109.4° |
C19 | C18 | H18 | 110.2° | 109.4° |
C18 | C19 | H191 | 112.5° | 109.4° |
C18 | C19 | H192 | 111.1° | 109.5° |
C18 | C19 | H193 | 111.1° | 109.5° |
C20 | C18 | H18 | 106.5° | 109.5° |
C18 | C20 | C21 | 108.7° | 109.5° |
C18 | C20 | H201 | 112.5° | 109.5° |
C18 | C20 | H202 | 112.5° | 109.4° |
H191 | C19 | H192 | 111.0° | 109.5° |
H191 | C19 | H193 | 111.1° | 109.5° |
H192 | C19 | H193 | 99.2° | 109.5° |
C21 | C20 | H201 | 112.5° | 109.5° |
C21 | C20 | H202 | 112.4° | 109.5° |
C20 | C21 | C22 | 112.9° | 109.5° |
C20 | C21 | H211 | 111.0° | 109.4° |
C20 | C21 | H212 | 111.0° | 109.5° |
H201 | C20 | H202 | 97.9° | 109.4° |
C22 | C21 | H211 | 110.9° | 109.4° |
C22 | C21 | H212 | 110.9° | 109.4° |
C21 | C22 | C23 | 125.2° | 109.5° |
C21 | C22 | H221 | 106.7° | 109.5° |
C21 | C22 | H222 | 106.7° | 109.5° |
H211 | C21 | H212 | 99.4° | 109.6° |
C23 | C22 | H221 | 106.6° | 109.5° |
C23 | C22 | H222 | 106.6° | 109.5° |
C22 | C23 | C24 | 109.1° | 109.5° |
C22 | C23 | C25 | 113.6° | 109.5° |
C22 | C23 | H23 | 105.7° | 109.5° |
H221 | C22 | H222 | 103.0° | 109.4° |
C24 | C23 | C25 | 105.0° | 109.5° |
C24 | C23 | H23 | 114.1° | 109.5° |
C23 | C24 | H241 | 109.1° | 109.5° |
C23 | C24 | H242 | 112.3° | 109.5° |
C23 | C24 | H243 | 112.4° | 109.5° |
C25 | C23 | H23 | 109.6° | 109.5° |
C23 | C25 | C26 | 120.0° | 109.5° |
C23 | C25 | H251 | 108.4° | 109.5° |
C23 | C25 | H252 | 108.4° | 109.5° |
H241 | C24 | H242 | 112.3° | 109.4° |
H241 | C24 | H243 | 112.3° | 109.4° |
H242 | C24 | H243 | 98.2° | 109.5° |
C26 | C25 | H251 | 108.4° | 109.4° |
C26 | C25 | H252 | 108.4° | 109.5° |
C25 | C26 | C27 | 107.0° | 109.5° |
C25 | C26 | H261 | 113.1° | 109.5° |
C25 | C26 | H262 | 113.1° | 109.5° |
H251 | C25 | H252 | 101.6° | 109.5° |
C27 | C26 | H261 | 113.1° | 109.5° |
C27 | C26 | H262 | 113.1° | 109.5° |
C26 | C27 | C28 | 110.3° | 109.5° |
C26 | C27 | H271 | 111.9° | 109.5° |
C26 | C27 | H272 | 111.9° | 109.5° |
H261 | C26 | H262 | 97.3° | 109.4° |
C28 | C27 | H271 | 111.9° | 109.4° |
C28 | C27 | H272 | 111.9° | 109.5° |
C27 | C28 | C29 | 108.7° | 109.5° |
C27 | C28 | C30 | 113.7° | 109.5° |
C27 | C28 | H28 | 108.0° | 109.5° |
H271 | C27 | H272 | 98.5° | 109.5° |
C29 | C28 | C30 | 111.7° | 109.5° |
C29 | C28 | H28 | 110.1° | 109.5° |
C28 | C29 | H291 | 108.6° | 109.5° |
C28 | C29 | H292 | 112.5° | 109.4° |
C28 | C29 | H293 | 112.5° | 109.4° |
C30 | C28 | H28 | 104.6° | 109.4° |
C28 | C30 | H301 | 113.7° | 109.4° |
C28 | C30 | H302 | 110.7° | 109.5° |
C28 | C30 | H303 | 110.7° | 109.4° |
H291 | C29 | H292 | 112.5° | 109.4° |
H291 | C29 | H293 | 112.4° | 109.5° |
H292 | C29 | H293 | 98.0° | 109.5° |
H301 | C30 | H302 | 110.6° | 109.5° |
H301 | C30 | H303 | 110.7° | 109.5° |
H302 | C30 | H303 | 99.6° | 109.5° |
C42 | C41 | O2 | 103.7° | 109.5° |
C42 | C41 | H411 | 114.4° | 109.5° |
C42 | C41 | H412 | 114.4° | 109.5° |
C41 | C42 | C43 | 122.6° | 109.4° |
C41 | C42 | H421 | 107.6° | 109.5° |
C41 | C42 | H422 | 107.6° | 109.5° |
O2 | C41 | H411 | 114.4° | 109.4° |
O2 | C41 | H412 | 114.4° | 109.5° |
H411 | C41 | H412 | 96.1° | 109.4° |
C43 | C42 | H421 | 107.5° | 109.5° |
C43 | C42 | H422 | 107.5° | 109.5° |
C42 | C43 | C44 | 106.1° | 109.5° |
C42 | C43 | C45 | 112.5° | 109.4° |
C42 | C43 | H43 | 112.7° | 109.5° |
H421 | C42 | H422 | 102.3° | 109.5° |
C44 | C43 | C45 | 116.7° | 109.5° |
C44 | C43 | H43 | 108.0° | 109.5° |
C43 | C44 | H441 | 106.1° | 109.5° |
C43 | C44 | H442 | 113.4° | 109.5° |
C43 | C44 | H443 | 113.5° | 109.4° |
C45 | C43 | H43 | 101.0° | 109.4° |
C43 | C45 | C46 | 121.9° | 109.4° |
C43 | C45 | H451 | 107.8° | 109.4° |
C43 | C45 | H452 | 107.8° | 109.4° |
H441 | C44 | H442 | 113.5° | 109.5° |
H441 | C44 | H443 | 113.5° | 109.5° |
H442 | C44 | H443 | 97.1° | 109.5° |
C46 | C45 | H451 | 107.7° | 109.5° |
C46 | C45 | H452 | 107.7° | 109.5° |
C45 | C46 | C47 | 117.6° | 109.4° |
C45 | C46 | H461 | 109.3° | 109.5° |
C45 | C46 | H462 | 109.3° | 109.5° |
H451 | C45 | H452 | 102.1° | 109.5° |
C47 | C46 | H461 | 109.2° | 109.5° |
C47 | C46 | H462 | 109.2° | 109.5° |
C46 | C47 | C48 | 119.1° | 109.5° |
C46 | C47 | H471 | 108.8° | 109.5° |
C46 | C47 | H472 | 108.8° | 109.5° |
H461 | C46 | H462 | 100.8° | 109.5° |
C48 | C47 | H471 | 108.7° | 109.5° |
C48 | C47 | H472 | 108.7° | 109.4° |
C47 | C48 | C49 | 111.0° | 109.5° |
C47 | C48 | C50 | 108.9° | 109.5° |
C47 | C48 | H48 | 109.3° | 109.4° |
H471 | C47 | H472 | 101.3° | 109.5° |
C49 | C48 | C50 | 110.8° | 109.5° |
C49 | C48 | H48 | 107.3° | 109.5° |
C48 | C49 | H491 | 111.0° | 109.4° |
C48 | C49 | H492 | 111.7° | 109.4° |
C48 | C49 | H493 | 111.7° | 109.4° |
C50 | C48 | H48 | 109.5° | 109.4° |
C48 | C50 | C51 | 114.6° | 109.5° |
C48 | C50 | H501 | 110.4° | 109.5° |
C48 | C50 | H502 | 110.4° | 109.4° |
H491 | C49 | H492 | 111.6° | 109.5° |
H491 | C49 | H493 | 111.6° | 109.6° |
H492 | C49 | H493 | 98.7° | 109.5° |
C51 | C50 | H501 | 110.3° | 109.5° |
C51 | C50 | H502 | 110.3° | 109.5° |
C50 | C51 | C52 | 113.8° | 109.5° |
C50 | C51 | H511 | 110.6° | 109.5° |
C50 | C51 | H512 | 110.6° | 109.5° |
H501 | C50 | H502 | 99.9° | 109.5° |
C52 | C51 | H511 | 110.6° | 109.5° |
C52 | C51 | H512 | 110.6° | 109.4° |
C51 | C52 | C53 | 117.2° | 109.5° |
C51 | C52 | H521 | 109.4° | 109.5° |
C51 | C52 | H522 | 109.4° | 109.4° |
H511 | C51 | H512 | 99.7° | 109.5° |
C53 | C52 | H521 | 109.4° | 109.5° |
C53 | C52 | H522 | 109.4° | 109.5° |
C52 | C53 | C54 | 117.0° | 109.4° |
C52 | C53 | C55 | 109.7° | 109.5° |
C52 | C53 | H53 | 105.4° | 109.5° |
H521 | C52 | H522 | 100.7° | 109.5° |
C54 | C53 | C55 | 113.4° | 109.5° |
C54 | C53 | H53 | 100.8° | 109.5° |
C53 | C54 | H541 | 116.9° | 109.5° |
C53 | C54 | H542 | 109.5° | 109.5° |
C53 | C54 | H543 | 109.5° | 109.5° |
C55 | C53 | H53 | 109.6° | 109.5° |
C53 | C55 | C56 | 119.8° | 109.5° |
C53 | C55 | H551 | 108.5° | 109.5° |
C53 | C55 | H552 | 108.5° | 109.5° |
H541 | C54 | H542 | 109.5° | 109.5° |
H541 | C54 | H543 | 109.5° | 109.4° |
H542 | C54 | H543 | 100.7° | 109.5° |
C56 | C55 | H551 | 108.5° | 109.5° |
C56 | C55 | H552 | 108.5° | 109.4° |
C55 | C56 | C57 | 117.3° | 109.5° |
C55 | C56 | H561 | 109.4° | 109.5° |
C55 | C56 | H562 | 109.4° | 109.5° |
H551 | C55 | H552 | 101.4° | 109.5° |
C57 | C56 | H561 | 109.3° | 109.5° |
C57 | C56 | H562 | 109.4° | 109.4° |
C56 | C57 | C58 | 107.6° | 109.5° |
C56 | C57 | H571 | 112.9° | 109.5° |
C56 | C57 | H572 | 112.9° | 109.4° |
H561 | C56 | H562 | 100.8° | 109.5° |
C58 | C57 | H571 | 112.9° | 109.4° |
C58 | C57 | H572 | 112.9° | 109.5° |
C57 | C58 | C59 | 113.2° | 109.5° |
C57 | C58 | C60 | 116.7° | 109.4° |
C57 | C58 | H58 | 102.3° | 109.5° |
H571 | C57 | H572 | 97.5° | 109.5° |
C59 | C58 | C60 | 112.7° | 109.5° |
C59 | C58 | H58 | 107.5° | 109.5° |
C58 | C59 | H591 | 113.2° | 109.5° |
C58 | C59 | H592 | 110.9° | 109.5° |
C58 | C59 | H593 | 110.9° | 109.5° |
C60 | C58 | H58 | 103.0° | 109.5° |
C58 | C60 | H601 | 116.7° | 109.5° |
C58 | C60 | H602 | 109.5° | 109.5° |
C58 | C60 | H603 | 109.6° | 109.5° |
H591 | C59 | H592 | 110.8° | 109.5° |
H591 | C59 | H593 | 110.8° | 109.4° |
H592 | C59 | H593 | 99.4° | 109.5° |
H601 | C60 | H602 | 109.6° | 109.5° |
H601 | C60 | H603 | 109.6° | 109.4° |
H602 | C60 | H603 | 100.6° | 109.4° |
O3 | P1 | O4 | 104.1° | 109.5° |
O3 | P1 | O5 | 115.5° | 109.5° |
O3 | P1 | O6 | 98.7° | 109.5° |
O4 | P1 | O5 | 115.5° | 109.4° |
O4 | P1 | O6 | 109.6° | 109.5° |
P1 | O5 | HO5 | 115.4° | 106.8° |
O5 | P1 | O6 | 112.0° | 109.5° |
O8 | P2 | O9 | 108.8° | 109.5° |
O8 | P2 | O10 | 108.8° | 109.4° |
O8 | P2 | O11 | 106.7° | 109.5° |
O9 | P2 | O10 | 112.3° | 109.5° |
O9 | P2 | O11 | 111.6° | 109.5° |
P2 | O10 | HO0 | 108.8° | 106.7° |
O10 | P2 | O11 | 108.3° | 109.5° |
P2 | O11 | HO1 | 106.8° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | H11 | 125.3° | 119.9° |
C2 | C1 | O1 | H12 | 125.2° | 120.0° |
C2 | C1 | H11 | H12 | 118.4° | 120.0° |
C1 | C2 | C3 | O2 | 120.5° | 120.0° |
C1 | C2 | C3 | H2 | 119.1° | 120.0° |
C1 | C2 | O2 | H2 | 119.1° | 120.0° |
C1 | C2 | C3 | O3 | 116.1° | 60.0° |
C1 | C2 | C3 | H31 | 118.6° | 60.0° |
C1 | C2 | C3 | H32 | 9.1° | 180.0° |
C2 | C1 | O1 | C11 | 134.1° | 180.0° |
C1 | C2 | O2 | C41 | 137.5° | 150.0° |
O1 | C1 | H11 | H12 | 118.4° | 120.0° |
O1 | C1 | C2 | C3 | 155.3° | 60.0° |
O1 | C1 | C2 | O2 | 84.9° | 59.9° |
O1 | C1 | C2 | H2 | 35.5° | 180.0° |
C1 | O1 | C11 | C12 | 80.9° | 180.0° |
C1 | O1 | C11 | H111 | 44.3° | 60.0° |
C1 | O1 | C11 | H112 | 153.9° | 60.0° |
H11 | C1 | C2 | C3 | 30.0° | 60.0° |
H11 | C1 | C2 | O2 | 149.8° | 179.9° |
H11 | C1 | C2 | H2 | 89.8° | 60.0° |
H11 | C1 | O1 | C11 | 100.7° | 60.0° |
H12 | C1 | C2 | C3 | 79.4° | 180.0° |
H12 | C1 | C2 | O2 | 40.3° | 60.1° |
H12 | C1 | C2 | H2 | 160.7° | 60.0° |
H12 | C1 | O1 | C11 | 8.8° | 60.0° |
C3 | C2 | O2 | H2 | 119.9° | 120.0° |
C2 | C3 | O3 | H31 | 125.2° | 120.0° |
C2 | C3 | O3 | H32 | 125.3° | 120.0° |
C2 | C3 | H31 | H32 | 118.2° | 120.0° |
C3 | C2 | O2 | C41 | 101.4° | 90.1° |
C2 | C3 | O3 | P1 | 117.2° | 180.0° |
O2 | C2 | C3 | O3 | 123.4° | 60.0° |
O2 | C2 | C3 | H31 | 1.9° | 180.0° |
O2 | C2 | C3 | H32 | 111.3° | 60.0° |
C2 | O2 | C41 | C42 | 159.9° | 179.9° |
C2 | O2 | C41 | H411 | 34.7° | 60.1° |
C2 | O2 | C41 | H412 | 74.8° | 59.9° |
H2 | C2 | C3 | O3 | 3.0° | 180.0° |
H2 | C2 | C3 | H31 | 122.3° | 60.0° |
H2 | C2 | C3 | H32 | 128.2° | 60.0° |
H2 | C2 | O2 | C41 | 18.4° | 29.9° |
O3 | C3 | H31 | H32 | 118.2° | 120.0° |
C3 | O3 | P1 | O4 | 97.7° | 60.0° |
C3 | O3 | P1 | O5 | 29.9° | 60.0° |
C3 | O3 | P1 | O6 | 149.4° | 180.0° |
H31 | C3 | O3 | P1 | 117.5° | 60.0° |
H32 | C3 | O3 | P1 | 8.1° | 59.9° |
C5 | C4 | O6 | H41 | 125.3° | 119.9° |
C5 | C4 | O6 | H42 | 125.3° | 120.2° |
C5 | C4 | H41 | H42 | 115.2° | 120.1° |
C4 | C5 | C6 | O7 | 126.5° | 120.1° |
C4 | C5 | C6 | H5 | 116.3° | 120.0° |
C4 | C5 | O7 | H5 | 115.9° | 120.0° |
C4 | C5 | C6 | O8 | 159.6° | 180.0° |
C4 | C5 | C6 | H61 | 75.1° | 60.0° |
C4 | C5 | C6 | H62 | 34.3° | 60.0° |
C5 | C4 | O6 | P1 | 77.4° | 180.0° |
C4 | C5 | O7 | HO7 | 180.0° | 60.1° |
O6 | C4 | H41 | H42 | 115.2° | 120.0° |
O6 | C4 | C5 | C6 | 153.0° | 180.0° |
O6 | C4 | C5 | O7 | 85.2° | 59.9° |
O6 | C4 | C5 | H5 | 31.5° | 60.1° |
C4 | O6 | P1 | O3 | 162.0° | 180.0° |
C4 | O6 | P1 | O4 | 53.6° | 59.9° |
C4 | O6 | P1 | O5 | 76.0° | 60.0° |
H41 | C4 | C5 | C6 | 27.7° | 60.1° |
H41 | C4 | C5 | O7 | 149.5° | 60.0° |
H41 | C4 | C5 | H5 | 93.8° | 180.0° |
H41 | C4 | O6 | P1 | 157.3° | 60.0° |
H42 | C4 | C5 | C6 | 81.8° | 59.9° |
H42 | C4 | C5 | O7 | 40.1° | 180.0° |
H42 | C4 | C5 | H5 | 156.7° | 60.0° |
H42 | C4 | O6 | P1 | 47.9° | 59.9° |
C6 | C5 | O7 | H5 | 121.6° | 119.9° |
C5 | C6 | O8 | H61 | 125.3° | 119.9° |
C5 | C6 | O8 | H62 | 125.2° | 120.1° |
C5 | C6 | H61 | H62 | 117.7° | 120.0° |
C6 | C5 | O7 | HO7 | 57.4° | 60.0° |
C5 | C6 | O8 | P2 | 66.1° | 180.0° |
O7 | C5 | C6 | O8 | 74.0° | 59.9° |
O7 | C5 | C6 | H61 | 51.3° | 60.0° |
O7 | C5 | C6 | H62 | 160.8° | 180.0° |
H5 | C5 | C6 | O8 | 43.3° | 60.0° |
H5 | C5 | C6 | H61 | 168.6° | NaN° |
H5 | C5 | C6 | H62 | 82.0° | 60.0° |
H5 | C5 | O7 | HO7 | 64.2° | 179.9° |
O8 | C6 | H61 | H62 | 117.7° | 120.0° |
C6 | O8 | P2 | O9 | 50.8° | 60.0° |
C6 | O8 | P2 | O10 | 173.5° | 179.9° |
C6 | O8 | P2 | O11 | 69.8° | 60.0° |
H61 | C6 | O8 | P2 | 59.2° | 60.0° |
H62 | C6 | O8 | P2 | 168.7° | 60.0° |
C12 | C11 | O1 | H111 | 125.2° | 120.0° |
C12 | C11 | O1 | H112 | 125.2° | 120.0° |
C12 | C11 | H111 | H112 | 117.9° | 120.0° |
C11 | C12 | C13 | H121 | 125.3° | 120.0° |
C11 | C12 | C13 | H122 | 125.2° | 120.0° |
C11 | C12 | H121 | H122 | 117.1° | 120.0° |
C11 | C12 | C13 | C14 | 90.4° | 60.0° |
C11 | C12 | C13 | C15 | 149.1° | 180.0° |
C11 | C12 | C13 | H13 | 31.3° | 60.0° |
O1 | C11 | H111 | H112 | 118.0° | 120.0° |
O1 | C11 | C12 | C13 | 128.3° | 180.0° |
O1 | C11 | C12 | H121 | 106.5° | 60.0° |
O1 | C11 | C12 | H122 | 3.1° | 60.0° |
H111 | C11 | C12 | C13 | 106.4° | 60.0° |
H111 | C11 | C12 | H121 | 18.8° | 180.0° |
H111 | C11 | C12 | H122 | 128.4° | 60.0° |
H112 | C11 | C12 | C13 | 3.1° | 60.0° |
H112 | C11 | C12 | H121 | 128.3° | 60.0° |
H112 | C11 | C12 | H122 | 122.1° | 180.0° |
C13 | C12 | H121 | H122 | 117.0° | 120.0° |
C12 | C13 | C14 | C15 | 120.6° | 120.0° |
C12 | C13 | C14 | H13 | 121.6° | 120.0° |
C12 | C13 | C15 | H13 | 121.6° | 120.0° |
C12 | C13 | C14 | H141 | 180.0° | 60.0° |
C12 | C13 | C14 | H142 | 54.7° | 180.0° |
C12 | C13 | C14 | H143 | 54.8° | 60.0° |
C12 | C13 | C15 | C16 | 139.8° | 180.0° |
C12 | C13 | C15 | H151 | 95.0° | 60.1° |
C12 | C13 | C15 | H152 | 14.5° | 60.0° |
H121 | C12 | C13 | C14 | 34.9° | 180.0° |
H121 | C12 | C13 | C15 | 85.6° | 60.0° |
H121 | C12 | C13 | H13 | 156.6° | 60.0° |
H122 | C12 | C13 | C14 | 144.4° | 60.0° |
H122 | C12 | C13 | C15 | 23.9° | 60.0° |
H122 | C12 | C13 | H13 | 94.0° | 180.0° |
C14 | C13 | C15 | H13 | 121.7° | 120.0° |
C13 | C14 | H141 | H142 | 125.3° | 120.0° |
C13 | C14 | H141 | H143 | 125.2° | 120.0° |
C13 | C14 | H142 | H143 | 119.9° | 120.0° |
C14 | C13 | C15 | C16 | 103.6° | 60.0° |
C14 | C13 | C15 | H151 | 21.6° | 179.9° |
C14 | C13 | C15 | H152 | 131.2° | 60.0° |
C15 | C13 | C14 | H141 | 59.4° | 60.0° |
C15 | C13 | C14 | H142 | 175.3° | 60.0° |
C15 | C13 | C14 | H143 | 65.8° | 180.0° |
C13 | C15 | C16 | H151 | 125.3° | 119.9° |
C13 | C15 | C16 | H152 | 125.3° | 120.0° |
C13 | C15 | H151 | H152 | 114.5° | 120.0° |
C13 | C15 | C16 | C17 | 179.9° | 180.0° |
C13 | C15 | C16 | H161 | 54.6° | 60.0° |
C13 | C15 | C16 | H162 | 54.9° | 60.0° |
H13 | C13 | C14 | H141 | 58.5° | 180.0° |
H13 | C13 | C14 | H142 | 66.9° | 60.0° |
H13 | C13 | C14 | H143 | 176.3° | 60.0° |
H13 | C13 | C15 | C16 | 18.1° | 60.0° |
H13 | C13 | C15 | H151 | 143.4° | 59.9° |
H13 | C13 | C15 | H152 | 107.1° | 180.0° |
H141 | C14 | H142 | H143 | 119.9° | 120.0° |
C16 | C15 | H151 | H152 | 114.4° | 120.0° |
C15 | C16 | C17 | H161 | 125.3° | 120.0° |
C15 | C16 | C17 | H162 | 125.3° | 120.0° |
C15 | C16 | H161 | H162 | 114.3° | 120.0° |
C15 | C16 | C17 | C18 | 134.3° | 180.0° |
C15 | C16 | C17 | H171 | 100.4° | 60.0° |
C15 | C16 | C17 | H172 | 9.1° | 60.0° |
H151 | C15 | C16 | C17 | 54.9° | 60.0° |
H151 | C15 | C16 | H161 | 179.8° | 180.0° |
H151 | C15 | C16 | H162 | 70.4° | 59.9° |
H152 | C15 | C16 | C17 | 54.6° | 60.0° |
H152 | C15 | C16 | H161 | 70.7° | 60.0° |
H152 | C15 | C16 | H162 | 179.9° | 180.0° |
C17 | C16 | H161 | H162 | 114.2° | 120.0° |
C16 | C17 | C18 | H171 | 125.3° | 120.0° |
C16 | C17 | C18 | H172 | 125.3° | 120.0° |
C16 | C17 | H171 | H172 | 112.9° | 120.0° |
C16 | C17 | C18 | C19 | 156.4° | 60.0° |
C16 | C17 | C18 | C20 | 77.4° | 180.0° |
C16 | C17 | C18 | H18 | 38.1° | 59.9° |
H161 | C16 | C17 | C18 | 9.0° | 60.0° |
H161 | C16 | C17 | H171 | 134.3° | 180.0° |
H161 | C16 | C17 | H172 | 116.2° | 60.0° |
H162 | C16 | C17 | C18 | 100.4° | 60.0° |
H162 | C16 | C17 | H171 | 24.9° | 60.0° |
H162 | C16 | C17 | H172 | 134.3° | 180.0° |
C18 | C17 | H171 | H172 | 112.8° | 120.0° |
C17 | C18 | C19 | C20 | 129.7° | 120.0° |
C17 | C18 | C19 | H18 | 113.7° | 120.0° |
C17 | C18 | C20 | H18 | 113.2° | 120.1° |
C17 | C18 | C19 | H191 | 180.0° | 60.0° |
C17 | C18 | C19 | H192 | 54.8° | 60.0° |
C17 | C18 | C19 | H193 | 54.8° | 180.0° |
C17 | C18 | C20 | C21 | 157.8° | 180.0° |
C17 | C18 | C20 | H201 | 32.5° | 59.9° |
C17 | C18 | C20 | H202 | 77.0° | 60.0° |
H171 | C17 | C18 | C19 | 78.3° | 60.0° |
H171 | C17 | C18 | C20 | 47.9° | 60.0° |
H171 | C17 | C18 | H18 | 163.3° | 180.0° |
H172 | C17 | C18 | C19 | 31.1° | 180.0° |
H172 | C17 | C18 | C20 | 157.3° | 60.0° |
H172 | C17 | C18 | H18 | 87.3° | 60.0° |
C19 | C18 | C20 | H18 | 118.9° | 119.9° |
C18 | C19 | H191 | H192 | 125.2° | 120.0° |
C18 | C19 | H191 | H193 | 125.3° | 120.0° |
C18 | C19 | H192 | H193 | 117.1° | 120.0° |
C19 | C18 | C20 | C21 | 74.3° | 60.0° |
C19 | C18 | C20 | H201 | 160.4° | 60.1° |
C19 | C18 | C20 | H202 | 50.9° | 180.0° |
C20 | C18 | C19 | H191 | 50.2° | 60.0° |
C20 | C18 | C19 | H192 | 75.0° | 180.0° |
C20 | C18 | C19 | H193 | 175.5° | 59.9° |
C18 | C20 | C21 | H201 | 125.3° | 120.0° |
C18 | C20 | C21 | H202 | 125.3° | 120.0° |
C18 | C20 | H201 | H202 | 118.4° | 120.0° |
C18 | C20 | C21 | C22 | 155.9° | 180.0° |
C18 | C20 | C21 | H211 | 30.7° | 60.0° |
C18 | C20 | C21 | H212 | 78.8° | 60.1° |
H18 | C18 | C19 | H191 | 66.3° | NaN° |
H18 | C18 | C19 | H192 | 168.5° | 60.0° |
H18 | C18 | C19 | H193 | 59.0° | 60.0° |
H18 | C18 | C20 | C21 | 44.6° | 60.0° |
H18 | C18 | C20 | H201 | 80.7° | 180.0° |
H18 | C18 | C20 | H202 | 169.8° | 60.0° |
H191 | C19 | H192 | H193 | 117.0° | 120.0° |
C21 | C20 | H201 | H202 | 118.3° | 120.0° |
C20 | C21 | C22 | H211 | 125.3° | 119.9° |
C20 | C21 | C22 | H212 | 125.3° | 120.0° |
C20 | C21 | H211 | H212 | 116.9° | 120.0° |
C20 | C21 | C22 | C23 | 143.2° | 180.0° |
C20 | C21 | C22 | H221 | 91.6° | 60.0° |
C20 | C21 | C22 | H222 | 17.9° | 60.0° |
H201 | C20 | C21 | C22 | 78.8° | 60.0° |
H201 | C20 | C21 | H211 | 156.0° | 179.9° |
H201 | C20 | C21 | H212 | 46.5° | 60.0° |
H202 | C20 | C21 | C22 | 30.6° | 60.0° |
H202 | C20 | C21 | H211 | 94.6° | 60.0° |
H202 | C20 | C21 | H212 | 155.9° | 179.9° |
C22 | C21 | H211 | H212 | 116.8° | 120.0° |
C21 | C22 | C23 | H221 | 125.3° | 120.0° |
C21 | C22 | C23 | H222 | 125.3° | 120.0° |
C21 | C22 | H221 | H222 | 112.1° | 120.0° |
C21 | C22 | C23 | C24 | 35.4° | 60.0° |
C21 | C22 | C23 | C25 | 81.4° | 180.0° |
C21 | C22 | C23 | H23 | 158.4° | 60.0° |
H211 | C21 | C22 | C23 | 17.9° | 60.1° |
H211 | C21 | C22 | H221 | 143.2° | 179.9° |
H211 | C21 | C22 | H222 | 107.3° | 60.0° |
H212 | C21 | C22 | C23 | 91.6° | 60.0° |
H212 | C21 | C22 | H221 | 33.7° | 60.0° |
H212 | C21 | C22 | H222 | 143.2° | 180.0° |
C23 | C22 | H221 | H222 | 112.0° | 120.0° |
C22 | C23 | C24 | C25 | 122.1° | 120.0° |
C22 | C23 | C24 | H23 | 117.9° | 120.0° |
C22 | C23 | C25 | H23 | 117.9° | 120.0° |
C22 | C23 | C24 | H241 | 180.0° | 60.0° |
C22 | C23 | C24 | H242 | 54.8° | 180.0° |
C22 | C23 | C24 | H243 | 54.8° | 60.0° |
C22 | C23 | C25 | C26 | 154.9° | 180.0° |
C22 | C23 | C25 | H251 | 79.9° | 60.0° |
C22 | C23 | C25 | H252 | 29.6° | 60.0° |
H221 | C22 | C23 | C24 | 160.7° | 180.0° |
H221 | C22 | C23 | C25 | 43.9° | 60.0° |
H221 | C22 | C23 | H23 | 76.3° | 60.0° |
H222 | C22 | C23 | C24 | 89.9° | 60.0° |
H222 | C22 | C23 | C25 | 153.3° | 60.0° |
H222 | C22 | C23 | H23 | 33.2° | 180.0° |
C24 | C23 | C25 | H23 | 122.9° | 120.0° |
C23 | C24 | H241 | H242 | 125.2° | 120.0° |
C23 | C24 | H241 | H243 | 125.3° | 120.0° |
C23 | C24 | H242 | H243 | 118.3° | 120.0° |
C24 | C23 | C25 | C26 | 86.0° | 60.0° |
C24 | C23 | C25 | H251 | 39.3° | 180.0° |
C24 | C23 | C25 | H252 | 148.8° | 60.0° |
C25 | C23 | C24 | H241 | 57.9° | 60.0° |
C25 | C23 | C24 | H242 | 176.9° | 60.0° |
C25 | C23 | C24 | H243 | 67.3° | 180.0° |
C23 | C25 | C26 | H251 | 125.2° | 120.0° |
C23 | C25 | C26 | H252 | 125.3° | 120.0° |
C23 | C25 | H251 | H252 | 114.1° | 120.0° |
C23 | C25 | C26 | C27 | 144.1° | 180.0° |
C23 | C25 | C26 | H261 | 90.6° | 60.0° |
C23 | C25 | C26 | H262 | 18.8° | 60.0° |
H23 | C23 | C24 | H241 | 62.1° | 180.0° |
H23 | C23 | C24 | H242 | 63.1° | 60.0° |
H23 | C23 | C24 | H243 | 172.6° | 60.0° |
H23 | C23 | C25 | C26 | 37.0° | 60.0° |
H23 | C23 | C25 | H251 | 162.2° | 60.0° |
H23 | C23 | C25 | H252 | 88.3° | 180.0° |
H241 | C24 | H242 | H243 | 118.2° | 119.9° |
C26 | C25 | H251 | H252 | 114.1° | 120.0° |
C25 | C26 | C27 | H261 | 125.3° | 120.0° |
C25 | C26 | C27 | H262 | 125.3° | 120.0° |
C25 | C26 | H261 | H262 | 119.0° | 120.0° |
C25 | C26 | C27 | C28 | 157.2° | 180.0° |
C25 | C26 | C27 | H271 | 32.0° | 60.0° |
C25 | C26 | C27 | H272 | 77.5° | 60.0° |
H251 | C25 | C26 | C27 | 18.9° | 60.0° |
H251 | C25 | C26 | H261 | 144.2° | 180.0° |
H251 | C25 | C26 | H262 | 106.4° | 60.0° |
H252 | C25 | C26 | C27 | 90.7° | 60.0° |
H252 | C25 | C26 | H261 | 34.7° | 60.0° |
H252 | C25 | C26 | H262 | 144.1° | 180.0° |
C27 | C26 | H261 | H262 | 119.0° | 120.0° |
C26 | C27 | C28 | H271 | 125.2° | 120.0° |
C26 | C27 | C28 | H272 | 125.3° | 120.0° |
C26 | C27 | H271 | H272 | 117.9° | 120.0° |
C26 | C27 | C28 | C29 | 161.6° | 180.0° |
C26 | C27 | C28 | C30 | 73.3° | 60.0° |
C26 | C27 | C28 | H28 | 42.3° | 60.0° |
H261 | C26 | C27 | C28 | 77.5° | 60.0° |
H261 | C26 | C27 | H271 | 157.3° | 180.0° |
H261 | C26 | C27 | H272 | 47.8° | 60.0° |
H262 | C26 | C27 | C28 | 31.9° | 60.0° |
H262 | C26 | C27 | H271 | 93.3° | 60.0° |
H262 | C26 | C27 | H272 | 157.2° | NaN° |
C28 | C27 | H271 | H272 | 117.8° | 120.0° |
C27 | C28 | C29 | C30 | 126.2° | 120.0° |
C27 | C28 | C29 | H28 | 118.0° | 120.0° |
C27 | C28 | C30 | H28 | 117.5° | 120.0° |
C27 | C28 | C29 | H291 | 180.0° | 180.0° |
C27 | C28 | C29 | H292 | 54.8° | 60.0° |
C27 | C28 | C29 | H293 | 54.8° | 60.0° |
C27 | C28 | C30 | H301 | 179.9° | 60.0° |
C27 | C28 | C30 | H302 | 54.8° | 60.0° |
C27 | C28 | C30 | H303 | 54.7° | 180.0° |
H271 | C27 | C28 | C29 | 73.1° | 60.0° |
H271 | C27 | C28 | C30 | 52.0° | 60.0° |
H271 | C27 | C28 | H28 | 167.5° | 180.0° |
H272 | C27 | C28 | C29 | 36.4° | 60.0° |
H272 | C27 | C28 | C30 | 161.5° | 180.0° |
H272 | C27 | C28 | H28 | 83.0° | 60.0° |
C29 | C28 | C30 | H28 | 119.0° | 120.0° |
C28 | C29 | H291 | H292 | 125.3° | 120.0° |
C28 | C29 | H291 | H293 | 125.2° | 120.0° |
C28 | C29 | H292 | H293 | 118.5° | 119.9° |
C29 | C28 | C30 | H301 | 56.6° | 60.0° |
C29 | C28 | C30 | H302 | 178.2° | 180.0° |
C29 | C28 | C30 | H303 | 68.7° | 60.0° |
C30 | C28 | C29 | H291 | 53.8° | 60.0° |
C30 | C28 | C29 | H292 | 71.5° | 180.0° |
C30 | C28 | C29 | H293 | 179.0° | 60.0° |
C28 | C30 | H301 | H302 | 125.2° | 120.0° |
C28 | C30 | H301 | H303 | 125.3° | 119.9° |
C28 | C30 | H302 | H303 | 116.6° | 120.0° |
H28 | C28 | C29 | H291 | 61.9° | 59.9° |
H28 | C28 | C29 | H292 | 172.8° | 60.0° |
H28 | C28 | C29 | H293 | 63.2° | 180.0° |
H28 | C28 | C30 | H301 | 62.4° | 180.0° |
H28 | C28 | C30 | H302 | 62.8° | 60.0° |
H28 | C28 | C30 | H303 | 172.3° | 60.0° |
H291 | C29 | H292 | H293 | 118.4° | 120.0° |
H301 | C30 | H302 | H303 | 116.5° | 120.0° |
C42 | C41 | O2 | H411 | 125.3° | 120.0° |
C42 | C41 | O2 | H412 | 125.3° | 120.1° |
C42 | C41 | H411 | H412 | 120.2° | 120.1° |
C41 | C42 | C43 | H421 | 125.3° | 120.0° |
C41 | C42 | C43 | H422 | 125.3° | 120.0° |
C41 | C42 | H421 | H422 | 113.1° | 120.0° |
C41 | C42 | C43 | C44 | 68.9° | 60.0° |
C41 | C42 | C43 | C45 | 59.8° | 180.0° |
C41 | C42 | C43 | H43 | 173.1° | 60.1° |
O2 | C41 | H411 | H412 | 120.3° | 120.0° |
O2 | C41 | C42 | C43 | 151.1° | 180.0° |
O2 | C41 | C42 | H421 | 83.7° | 60.0° |
O2 | C41 | C42 | H422 | 25.8° | 60.0° |
H411 | C41 | C42 | C43 | 83.7° | 60.0° |
H411 | C41 | C42 | H421 | 41.6° | 180.0° |
H411 | C41 | C42 | H422 | 151.1° | 60.0° |
H412 | C41 | C42 | C43 | 25.7° | 60.0° |
H412 | C41 | C42 | H421 | 151.0° | 60.0° |
H412 | C41 | C42 | H422 | 99.5° | 180.0° |
C43 | C42 | H421 | H422 | 113.1° | 120.0° |
C42 | C43 | C44 | C45 | 126.2° | 120.0° |
C42 | C43 | C44 | H43 | 121.0° | 120.1° |
C42 | C43 | C45 | H43 | 120.3° | 120.0° |
C42 | C43 | C44 | H441 | 180.0° | 60.0° |
C42 | C43 | C44 | H442 | 54.8° | 180.0° |
C42 | C43 | C44 | H443 | 54.8° | 60.0° |
C42 | C43 | C45 | C46 | 153.1° | NaN° |
C42 | C43 | C45 | H451 | 81.6° | 60.0° |
C42 | C43 | C45 | H452 | 27.9° | 60.0° |
H421 | C42 | C43 | C44 | 165.8° | 60.0° |
H421 | C42 | C43 | C45 | 65.4° | 60.0° |
H421 | C42 | C43 | H43 | 47.9° | 179.9° |
H422 | C42 | C43 | C44 | 56.4° | 180.0° |
H422 | C42 | C43 | C45 | 174.9° | 60.0° |
H422 | C42 | C43 | H43 | 61.6° | 59.9° |
C44 | C43 | C45 | H43 | 116.7° | 120.0° |
C43 | C44 | H441 | H442 | 125.2° | 120.0° |
C43 | C44 | H441 | H443 | 125.2° | 120.0° |
C43 | C44 | H442 | H443 | 119.4° | 120.0° |
C44 | C43 | C45 | C46 | 83.9° | 60.0° |
C44 | C43 | C45 | H451 | 41.4° | 60.0° |
C44 | C43 | C45 | H452 | 150.9° | 180.0° |
C45 | C43 | C44 | H441 | 53.8° | 60.0° |
C45 | C43 | C44 | H442 | 179.0° | 60.0° |
C45 | C43 | C44 | H443 | 71.4° | 180.0° |
C43 | C45 | C46 | H451 | 125.3° | 119.9° |
C43 | C45 | C46 | H452 | 125.3° | 120.0° |
C43 | C45 | H451 | H452 | 113.4° | 120.0° |
C43 | C45 | C46 | C47 | 152.0° | 180.0° |
C43 | C45 | C46 | H461 | 26.8° | 60.0° |
C43 | C45 | C46 | H462 | 82.7° | 60.0° |
H43 | C43 | C44 | H441 | 59.0° | 180.0° |
H43 | C43 | C44 | H442 | 66.3° | 60.0° |
H43 | C43 | C44 | H443 | 175.8° | 60.0° |
H43 | C43 | C45 | C46 | 32.8° | 60.0° |
H43 | C43 | C45 | H451 | 158.1° | 180.0° |
H43 | C43 | C45 | H452 | 92.4° | 60.0° |
H441 | C44 | H442 | H443 | 119.4° | 120.0° |
C46 | C45 | H451 | H452 | 113.3° | 120.1° |
C45 | C46 | C47 | H461 | 125.3° | 120.0° |
C45 | C46 | C47 | H462 | 125.3° | 119.9° |
C45 | C46 | H461 | H462 | 115.1° | 120.0° |
C45 | C46 | C47 | C48 | 151.9° | 180.0° |
C45 | C46 | C47 | H471 | 26.6° | 60.0° |
C45 | C46 | C47 | H472 | 82.9° | 60.1° |
H451 | C45 | C46 | C47 | 82.7° | 60.0° |
H451 | C45 | C46 | H461 | 152.1° | 179.9° |
H451 | C45 | C46 | H462 | 42.6° | 59.9° |
H452 | C45 | C46 | C47 | 26.8° | 60.1° |
H452 | C45 | C46 | H461 | 98.5° | 60.0° |
H452 | C45 | C46 | H462 | 152.0° | 180.0° |
C47 | C46 | H461 | H462 | 114.9° | 120.0° |
C46 | C47 | C48 | H471 | 125.3° | 120.0° |
C46 | C47 | C48 | H472 | 125.3° | 119.9° |
C46 | C47 | H471 | H472 | 114.5° | 120.0° |
C46 | C47 | C48 | C49 | 69.3° | 60.0° |
C46 | C47 | C48 | C50 | 168.5° | 180.0° |
C46 | C47 | C48 | H48 | 48.9° | 60.1° |
H461 | C46 | C47 | C48 | 82.8° | 60.0° |
H461 | C46 | C47 | H471 | 152.0° | 180.0° |
H461 | C46 | C47 | H472 | 42.5° | 60.0° |
H462 | C46 | C47 | C48 | 26.6° | 60.1° |
H462 | C46 | C47 | H471 | 98.7° | 60.0° |
H462 | C46 | C47 | H472 | 151.8° | 180.0° |
C48 | C47 | H471 | H472 | 114.4° | 120.0° |
C47 | C48 | C49 | C50 | 121.1° | 120.0° |
C47 | C48 | C49 | H48 | 119.4° | 120.0° |
C47 | C48 | C50 | H48 | 119.5° | 119.9° |
C47 | C48 | C49 | H491 | 180.0° | 60.0° |
C47 | C48 | C49 | H492 | 54.7° | 60.0° |
C47 | C48 | C49 | H493 | 54.7° | 180.0° |
C47 | C48 | C50 | C51 | 148.7° | 180.0° |
C47 | C48 | C50 | H501 | 23.4° | 59.9° |
C47 | C48 | C50 | H502 | 86.1° | 60.0° |
H471 | C47 | C48 | C49 | 165.4° | 180.0° |
H471 | C47 | C48 | C50 | 43.2° | 59.9° |
H471 | C47 | C48 | H48 | 76.4° | 60.0° |
H472 | C47 | C48 | C49 | 56.0° | 60.0° |
H472 | C47 | C48 | C50 | 66.3° | 60.1° |
H472 | C47 | C48 | H48 | 174.1° | 180.0° |
C49 | C48 | C50 | H48 | 118.2° | 120.1° |
C48 | C49 | H491 | H492 | 125.3° | 119.9° |
C48 | C49 | H491 | H493 | 125.3° | 119.9° |
C48 | C49 | H492 | H493 | 117.6° | 119.9° |
C49 | C48 | C50 | C51 | 89.0° | 60.0° |
C49 | C48 | C50 | H501 | 145.7° | 180.0° |
C49 | C48 | C50 | H502 | 36.3° | 60.0° |
C50 | C48 | C49 | H491 | 58.8° | 60.0° |
C50 | C48 | C49 | H492 | 66.4° | 180.0° |
C50 | C48 | C49 | H493 | 175.9° | 60.0° |
C48 | C50 | C51 | H501 | 125.3° | 120.1° |
C48 | C50 | C51 | H502 | 125.3° | 119.9° |
C48 | C50 | H501 | H502 | 116.2° | 120.0° |
C48 | C50 | C51 | C52 | 159.3° | 180.0° |
C48 | C50 | C51 | H511 | 34.1° | 59.9° |
C48 | C50 | C51 | H512 | 75.5° | 60.1° |
H48 | C48 | C49 | H491 | 60.6° | 180.0° |
H48 | C48 | C49 | H492 | 174.1° | 60.0° |
H48 | C48 | C49 | H493 | 64.6° | 60.0° |
H48 | C48 | C50 | C51 | 29.2° | 60.1° |
H48 | C48 | C50 | H501 | 96.1° | 60.0° |
H48 | C48 | C50 | H502 | 154.4° | 180.0° |
H491 | C49 | H492 | H493 | 117.5° | 120.2° |
C51 | C50 | H501 | H502 | 116.1° | 120.0° |
C50 | C51 | C52 | H511 | 125.2° | 120.1° |
C50 | C51 | C52 | H512 | 125.3° | 120.0° |
C50 | C51 | H511 | H512 | 116.5° | 120.0° |
C50 | C51 | C52 | C53 | 143.6° | 180.0° |
C50 | C51 | C52 | H521 | 18.3° | 59.9° |
C50 | C51 | C52 | H522 | 91.2° | 60.0° |
H501 | C50 | C51 | C52 | 75.4° | 60.0° |
H501 | C50 | C51 | H511 | 159.3° | 180.0° |
H501 | C50 | C51 | H512 | 49.8° | 60.0° |
H502 | C50 | C51 | C52 | 34.0° | 60.0° |
H502 | C50 | C51 | H511 | 91.2° | 60.0° |
H502 | C50 | C51 | H512 | 159.2° | 180.0° |
C52 | C51 | H511 | H512 | 116.4° | 119.9° |
C51 | C52 | C53 | H521 | 125.3° | 120.0° |
C51 | C52 | C53 | H522 | 125.3° | 119.9° |
C51 | C52 | H521 | H522 | 115.2° | 119.9° |
C51 | C52 | C53 | C54 | 74.2° | 60.0° |
C51 | C52 | C53 | C55 | 154.8° | 180.0° |
C51 | C52 | C53 | H53 | 36.9° | 60.0° |
H511 | C51 | C52 | C53 | 91.2° | 59.9° |
H511 | C51 | C52 | H521 | 143.5° | 180.0° |
H511 | C51 | C52 | H522 | 34.0° | 60.0° |
H512 | C51 | C52 | C53 | 18.3° | 60.0° |
H512 | C51 | C52 | H521 | 107.0° | 60.0° |
H512 | C51 | C52 | H522 | 143.5° | 180.0° |
C53 | C52 | H521 | H522 | 115.1° | 120.0° |
C52 | C53 | C54 | C55 | 129.3° | 119.9° |
C52 | C53 | C54 | H53 | 113.6° | 120.0° |
C52 | C53 | C55 | H53 | 115.3° | 120.0° |
C52 | C53 | C54 | H541 | 180.0° | 60.0° |
C52 | C53 | C54 | H542 | 54.7° | 180.0° |
C52 | C53 | C54 | H543 | 54.7° | 60.0° |
C52 | C53 | C55 | C56 | 147.8° | 180.0° |
C52 | C53 | C55 | H551 | 22.5° | 60.0° |
C52 | C53 | C55 | H552 | 86.9° | 60.1° |
H521 | C52 | C53 | C54 | 51.1° | 60.0° |
H521 | C52 | C53 | C55 | 79.9° | 60.0° |
H521 | C52 | C53 | H53 | 162.2° | 180.0° |
H522 | C52 | C53 | C54 | 160.6° | 180.0° |
H522 | C52 | C53 | C55 | 29.5° | 60.1° |
H522 | C52 | C53 | H53 | 88.4° | 60.0° |
C54 | C53 | C55 | H53 | 111.8° | 120.0° |
C53 | C54 | H541 | H542 | 125.3° | 120.0° |
C53 | C54 | H541 | H543 | 125.2° | 120.0° |
C53 | C54 | H542 | H543 | 115.2° | 120.1° |
C54 | C53 | C55 | C56 | 14.9° | 60.1° |
C54 | C53 | C55 | H551 | 110.4° | 60.0° |
C54 | C53 | C55 | H552 | 140.2° | 180.0° |
C55 | C53 | C54 | H541 | 50.7° | 60.0° |
C55 | C53 | C54 | H542 | 176.0° | 60.0° |
C55 | C53 | C54 | H543 | 74.6° | 179.9° |
C53 | C55 | C56 | H551 | 125.3° | 120.0° |
C53 | C55 | C56 | H552 | 125.3° | 119.9° |
C53 | C55 | H551 | H552 | 114.2° | 120.0° |
C53 | C55 | C56 | C57 | 148.4° | 180.0° |
C53 | C55 | C56 | H561 | 23.2° | 60.0° |
C53 | C55 | C56 | H562 | 86.3° | 60.0° |
H53 | C53 | C54 | H541 | 66.4° | 180.0° |
H53 | C53 | C54 | H542 | 58.9° | 60.0° |
H53 | C53 | C54 | H543 | 168.4° | 60.0° |
H53 | C53 | C55 | C56 | 96.9° | 60.0° |
H53 | C53 | C55 | H551 | 137.8° | 180.0° |
H53 | C53 | C55 | H552 | 28.3° | 60.0° |
H541 | C54 | H542 | H543 | 115.3° | 119.9° |
C56 | C55 | H551 | H552 | 114.2° | 120.0° |
C55 | C56 | C57 | H561 | 125.3° | 120.1° |
C55 | C56 | C57 | H562 | 125.2° | 120.0° |
C55 | C56 | H561 | H562 | 115.2° | 120.0° |
C55 | C56 | C57 | C58 | 148.1° | 179.9° |
C55 | C56 | C57 | H571 | 22.8° | 60.0° |
C55 | C56 | C57 | H572 | 86.7° | 60.0° |
H551 | C55 | C56 | C57 | 86.3° | 60.0° |
H551 | C55 | C56 | H561 | 148.5° | 180.0° |
H551 | C55 | C56 | H562 | 39.0° | 60.0° |
H552 | C55 | C56 | C57 | 23.2° | 60.1° |
H552 | C55 | C56 | H561 | 102.0° | 60.0° |
H552 | C55 | C56 | H562 | 148.4° | 180.0° |
C57 | C56 | H561 | H562 | 115.1° | 120.0° |
C56 | C57 | C58 | H571 | 125.3° | 120.0° |
C56 | C57 | C58 | H572 | 125.3° | 120.0° |
C56 | C57 | H571 | H572 | 118.8° | 119.9° |
C56 | C57 | C58 | C59 | 153.4° | 180.0° |
C56 | C57 | C58 | C60 | 73.4° | 60.0° |
C56 | C57 | C58 | H58 | 38.1° | 60.0° |
H561 | C56 | C57 | C58 | 86.7° | 60.0° |
H561 | C56 | C57 | H571 | 148.0° | 180.0° |
H561 | C56 | C57 | H572 | 38.6° | 60.0° |
H562 | C56 | C57 | C58 | 22.8° | 60.0° |
H562 | C56 | C57 | H571 | 102.4° | 60.0° |
H562 | C56 | C57 | H572 | 148.1° | 180.0° |
C58 | C57 | H571 | H572 | 118.8° | 120.1° |
C57 | C58 | C59 | C60 | 135.1° | 119.9° |
C57 | C58 | C59 | H58 | 112.2° | 120.1° |
C57 | C58 | C60 | H58 | 111.2° | 120.1° |
C57 | C58 | C59 | H591 | 180.0° | 179.9° |
C57 | C58 | C59 | H592 | 54.7° | 60.0° |
C57 | C58 | C59 | H593 | 54.7° | 60.0° |
C57 | C58 | C60 | H601 | 180.0° | 60.0° |
C57 | C58 | C60 | H602 | 54.8° | 60.1° |
C57 | C58 | C60 | H603 | 54.7° | 180.0° |
H571 | C57 | C58 | C59 | 28.1° | 60.1° |
H571 | C57 | C58 | C60 | 161.3° | 180.0° |
H571 | C57 | C58 | H58 | 87.2° | 60.0° |
H572 | C57 | C58 | C59 | 81.3° | 60.0° |
H572 | C57 | C58 | C60 | 51.9° | 59.9° |
H572 | C57 | C58 | H58 | 163.5° | 179.9° |
C59 | C58 | C60 | H58 | 115.5° | 120.0° |
C58 | C59 | H591 | H592 | 125.3° | 120.0° |
C58 | C59 | H591 | H593 | 125.3° | 120.0° |
C58 | C59 | H592 | H593 | 116.8° | 120.0° |
C59 | C58 | C60 | H601 | 46.6° | 60.0° |
C59 | C58 | C60 | H602 | 78.6° | 180.0° |
C59 | C58 | C60 | H603 | 171.9° | 60.0° |
C60 | C58 | C59 | H591 | 44.9° | 60.0° |
C60 | C58 | C59 | H592 | 170.2° | 180.0° |
C60 | C58 | C59 | H593 | 80.3° | 59.9° |
C58 | C60 | H601 | H602 | 125.2° | 120.1° |
C58 | C60 | H601 | H603 | 125.3° | 120.0° |
C58 | C60 | H602 | H603 | 115.4° | 120.0° |
H58 | C58 | C59 | H591 | 67.8° | 60.0° |
H58 | C58 | C59 | H592 | 57.5° | 60.0° |
H58 | C58 | C59 | H593 | 166.9° | 179.9° |
H58 | C58 | C60 | H601 | 68.8° | 180.0° |
H58 | C58 | C60 | H602 | 165.9° | 60.0° |
H58 | C58 | C60 | H603 | 56.5° | 60.0° |
H591 | C59 | H592 | H593 | 116.7° | 119.9° |
H601 | C60 | H602 | H603 | 115.4° | 119.9° |
O3 | P1 | O4 | O5 | 127.6° | 120.0° |
O3 | P1 | O4 | O6 | 104.8° | 120.0° |
O3 | P1 | O5 | O6 | 111.9° | 120.0° |
O3 | P1 | O5 | HO5 | 180.0° | 60.0° |
O4 | P1 | O5 | O6 | 126.4° | 120.0° |
O4 | P1 | O5 | HO5 | 58.3° | 180.0° |
HO5 | O5 | P1 | O6 | 68.1° | 60.0° |
O8 | P2 | O9 | O10 | 120.5° | 120.0° |
O8 | P2 | O9 | O11 | 117.6° | 120.0° |
O8 | P2 | O10 | O11 | 115.7° | 120.0° |
O8 | P2 | O10 | HO0 | 180.0° | 180.0° |
O8 | P2 | O11 | HO1 | 180.0° | 60.0° |
O9 | P2 | O10 | O11 | 123.8° | 120.0° |
O9 | P2 | O10 | HO0 | 59.5° | 60.0° |
O9 | P2 | O11 | HO1 | 61.2° | 180.0° |
O10 | P2 | O11 | HO1 | 63.0° | 60.0° |
HO0 | O10 | P2 | O11 | 64.3° | 60.0° |