2DP
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 | 1.46Å | |
C1 | H11 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.56Å | |
C2 | O2 | sing | 1.43Å | 1.47Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | O3 | sing | 1.43Å | 1.49Å | |
C3 | H31 | sing | 1.09Å | 1.12Å | |
C3 | H32 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.62Å | |
C4 | O6 | sing | 1.43Å | 1.51Å | |
C4 | H41 | sing | 1.09Å | 1.12Å | |
C4 | H42 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.57Å | |
C5 | O7 | sing | 1.43Å | 1.47Å | |
C5 | H5 | sing | 1.09Å | 1.12Å | |
C6 | O8 | sing | 1.43Å | 1.47Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
C11 | C12 | sing | 1.53Å | 1.56Å | |
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 | 1.57Å | |
C12 | H121 | sing | 1.09Å | 1.11Å | |
C12 | H122 | sing | 1.09Å | 1.12Å | |
C13 | C14 | sing | 1.53Å | 1.52Å | |
C13 | C15 | sing | 1.53Å | 1.56Å | |
C13 | H13 | sing | 1.09Å | 1.11Å | |
C14 | H141 | sing | 1.09Å | 1.11Å | |
C14 | H142 | sing | 1.09Å | 1.11Å | |
C14 | H143 | sing | 1.09Å | 1.12Å | |
C15 | C16 | sing | 1.53Å | 1.56Å | |
C15 | H151 | sing | 1.09Å | 1.11Å | |
C15 | H152 | sing | 1.09Å | 1.12Å | |
C16 | C17 | sing | 1.53Å | 1.56Å | |
C16 | H161 | sing | 1.09Å | 1.12Å | |
C16 | H162 | sing | 1.09Å | 1.11Å | |
C17 | C18 | sing | 1.53Å | 1.58Å | |
C17 | H171 | sing | 1.09Å | 1.12Å | |
C17 | H172 | sing | 1.09Å | 1.11Å | |
C18 | C19 | sing | 1.53Å | 1.51Å | |
C18 | C20 | sing | 1.53Å | 1.57Å | |
C18 | H18 | sing | 1.09Å | 1.11Å | |
C19 | H191 | sing | 1.09Å | 1.11Å | |
C19 | H192 | sing | 1.09Å | 1.11Å | |
C19 | H193 | sing | 1.09Å | 1.12Å | |
C20 | C21 | sing | 1.53Å | 1.55Å | |
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 | 1.11Å | |
C21 | H212 | sing | 1.09Å | 1.12Å | |
C22 | C23 | sing | 1.53Å | 1.54Å | |
C22 | H221 | sing | 1.09Å | 1.12Å | |
C22 | H222 | sing | 1.09Å | 1.11Å | |
C23 | C24 | sing | 1.53Å | 1.51Å | |
C23 | C25 | sing | 1.53Å | 1.56Å | |
C23 | H23 | sing | 1.09Å | 1.12Å | |
C24 | H241 | sing | 1.09Å | 1.11Å | |
C24 | H242 | sing | 1.09Å | 1.11Å | |
C24 | H243 | sing | 1.09Å | 1.12Å | |
C25 | C26 | sing | 1.53Å | 1.56Å | |
C25 | H251 | sing | 1.09Å | 1.12Å | |
C25 | H252 | sing | 1.09Å | 1.12Å | |
C26 | C27 | sing | 1.53Å | 1.51Å | |
C26 | H261 | sing | 1.09Å | 1.11Å | |
C26 | H262 | sing | 1.09Å | 1.11Å | |
C27 | C28 | sing | 1.53Å | 1.51Å | |
C27 | H271 | sing | 1.09Å | 1.11Å | |
C27 | H272 | sing | 1.09Å | 1.12Å | |
C28 | C29 | sing | 1.53Å | 1.53Å | |
C28 | C30 | sing | 1.53Å | 1.53Å | |
C28 | H28 | sing | 1.09Å | 1.11Å | |
C29 | H291 | sing | 1.09Å | 1.11Å | |
C29 | H292 | sing | 1.09Å | 1.11Å | |
C29 | H293 | sing | 1.09Å | 1.12Å | |
C30 | H301 | sing | 1.09Å | 1.11Å | |
C30 | H302 | sing | 1.09Å | 1.11Å | |
C30 | H303 | sing | 1.09Å | 1.11Å | |
C41 | C42 | sing | 1.53Å | 1.58Å | |
C41 | O2 | sing | 1.43Å | 1.48Å | |
C41 | H411 | sing | 1.09Å | 1.11Å | |
C41 | H412 | sing | 1.09Å | 1.11Å | |
C42 | C43 | sing | 1.53Å | 1.59Å | |
C42 | H421 | sing | 1.09Å | 1.12Å | |
C42 | H422 | sing | 1.09Å | 1.12Å | |
C43 | C44 | sing | 1.53Å | 1.57Å | |
C43 | C45 | sing | 1.53Å | 1.59Å | |
C43 | H43 | sing | 1.09Å | 1.11Å | |
C44 | H441 | sing | 1.09Å | 1.11Å | |
C44 | H442 | sing | 1.09Å | 1.11Å | |
C44 | H443 | sing | 1.09Å | 1.12Å | |
C45 | C46 | sing | 1.53Å | 1.57Å | |
C45 | H451 | sing | 1.09Å | 1.11Å | |
C45 | H452 | sing | 1.09Å | 1.12Å | |
C46 | C47 | sing | 1.53Å | 1.58Å | |
C46 | H461 | sing | 1.09Å | 1.11Å | |
C46 | H462 | sing | 1.09Å | 1.11Å | |
C47 | C48 | sing | 1.53Å | 1.58Å | |
C47 | H471 | sing | 1.09Å | 1.12Å | |
C47 | H472 | sing | 1.09Å | 1.11Å | |
C48 | C49 | sing | 1.53Å | 1.54Å | |
C48 | C50 | sing | 1.53Å | 1.54Å | |
C48 | H48 | sing | 1.09Å | 1.12Å | |
C49 | H491 | sing | 1.09Å | 1.12Å | |
C49 | H492 | sing | 1.09Å | 1.11Å | |
C49 | H493 | sing | 1.09Å | 1.11Å | |
C50 | C51 | sing | 1.53Å | 1.54Å | |
C50 | H501 | sing | 1.09Å | 1.11Å | |
C50 | H502 | sing | 1.09Å | 1.12Å | |
C51 | C52 | sing | 1.53Å | 1.54Å | |
C51 | H511 | sing | 1.09Å | 1.11Å | |
C51 | H512 | sing | 1.09Å | 1.11Å | |
C52 | C53 | sing | 1.53Å | 1.58Å | |
C52 | H521 | sing | 1.09Å | 1.12Å | |
C52 | H522 | sing | 1.09Å | 1.12Å | |
C53 | C54 | sing | 1.53Å | 1.57Å | |
C53 | C55 | sing | 1.53Å | 1.60Å | |
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 | 1.55Å | |
C55 | H551 | sing | 1.09Å | 1.11Å | |
C55 | H552 | sing | 1.09Å | 1.11Å | |
C56 | C57 | sing | 1.53Å | 1.55Å | |
C56 | H561 | sing | 1.09Å | 1.12Å | |
C56 | H562 | sing | 1.09Å | 1.12Å | |
C57 | C58 | sing | 1.53Å | 1.56Å | |
C57 | H571 | sing | 1.09Å | 1.11Å | |
C57 | H572 | sing | 1.09Å | 1.11Å | |
C58 | C59 | sing | 1.53Å | 1.56Å | |
C58 | C60 | sing | 1.53Å | 1.56Å | |
C58 | H58 | sing | 1.09Å | 1.11Å | |
C59 | H591 | sing | 1.09Å | 1.11Å | |
C59 | H592 | sing | 1.09Å | 1.12Å | |
C59 | H593 | sing | 1.09Å | 1.11Å | |
C60 | H601 | sing | 1.09Å | 1.11Å | |
C60 | H602 | sing | 1.09Å | 1.12Å | |
C60 | H603 | sing | 1.09Å | 1.11Å | |
O3 | P1 | sing | 1.61Å | 1.71Å | |
O4 | P1 | doub | 1.48Å | 1.52Å | |
O5 | P1 | sing | 1.61Å | 1.52Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
O6 | P1 | sing | 1.61Å | 1.70Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
O8 | P2 | sing | 1.61Å | 1.68Å | |
O9 | P2 | doub | 1.48Å | 1.55Å | |
O10 | P2 | sing | 1.61Å | 1.56Å | |
O10 | HOA | sing | 0.97Å | 0.95Å | |
O11 | P2 | sing | 1.61Å | 1.51Å | |
O11 | CM | sing | 1.43Å | 1.50Å | |
CM | HM1 | sing | 1.09Å | 1.12Å | |
CM | HM2 | sing | 1.09Å | 1.12Å | |
CM | HM3 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 111.8° | 109.5° |
C2 | C1 | H11 | 111.3° | 109.5° |
C2 | C1 | H12 | 111.4° | 109.4° |
C1 | C2 | C3 | 113.6° | 109.4° |
C1 | C2 | O2 | 110.1° | 109.5° |
C1 | C2 | H2 | 106.8° | 109.5° |
O1 | C1 | H11 | 111.3° | 109.5° |
O1 | C1 | H12 | 111.3° | 109.5° |
C1 | O1 | C11 | 114.3° | 106.8° |
H11 | C1 | H12 | 99.1° | 109.4° |
C3 | C2 | O2 | 111.4° | 109.4° |
C3 | C2 | H2 | 105.4° | 109.5° |
C2 | C3 | O3 | 110.9° | 109.5° |
C2 | C3 | H31 | 111.7° | 109.5° |
C2 | C3 | H32 | 111.6° | 109.5° |
O2 | C2 | H2 | 109.2° | 109.5° |
C2 | O2 | C41 | 123.4° | 106.8° |
O3 | C3 | H31 | 111.7° | 109.4° |
O3 | C3 | H32 | 111.7° | 109.4° |
C3 | O3 | P1 | 122.8° | 106.8° |
H31 | C3 | H32 | 98.7° | 109.5° |
C5 | C4 | O6 | 118.7° | 109.4° |
C5 | C4 | H41 | 109.0° | 109.5° |
C5 | C4 | H42 | 108.9° | 109.4° |
C4 | C5 | C6 | 109.2° | 109.5° |
C4 | C5 | O7 | 114.1° | 109.5° |
C4 | C5 | H5 | 105.7° | 109.5° |
O6 | C4 | H41 | 108.9° | 109.5° |
O6 | C4 | H42 | 108.9° | 109.5° |
C4 | O6 | P1 | 128.2° | 106.8° |
H41 | C4 | H42 | 101.1° | 109.5° |
C6 | C5 | O7 | 106.8° | 109.5° |
C6 | C5 | H5 | 113.1° | 109.4° |
C5 | C6 | O8 | 113.4° | 109.5° |
C5 | C6 | H61 | 110.7° | 109.5° |
C5 | C6 | H62 | 110.7° | 109.5° |
O7 | C5 | H5 | 108.1° | 109.5° |
C5 | O7 | HO7 | 114.1° | 106.8° |
O8 | C6 | H61 | 110.8° | 109.4° |
O8 | C6 | H62 | 110.8° | 109.5° |
C6 | O8 | P2 | 120.9° | 106.8° |
H61 | C6 | H62 | 99.5° | 109.5° |
C12 | C11 | O1 | 109.0° | 109.5° |
C12 | C11 | H111 | 112.4° | 109.5° |
C12 | C11 | H112 | 112.3° | 109.5° |
C11 | C12 | C13 | 116.6° | 109.5° |
C11 | C12 | H121 | 109.7° | 109.5° |
C11 | C12 | H122 | 109.6° | 109.5° |
O1 | C11 | H111 | 112.4° | 109.4° |
O1 | C11 | H112 | 112.4° | 109.4° |
H111 | C11 | H112 | 98.1° | 109.5° |
C13 | C12 | H121 | 109.6° | 109.5° |
C13 | C12 | H122 | 109.6° | 109.4° |
C12 | C13 | C14 | 107.6° | 109.5° |
C12 | C13 | C15 | 113.5° | 109.5° |
C12 | C13 | H13 | 107.1° | 109.5° |
H121 | C12 | H122 | 100.5° | 109.5° |
C14 | C13 | C15 | 106.6° | 109.4° |
C14 | C13 | H13 | 114.0° | 109.5° |
C13 | C14 | H141 | 107.6° | 109.4° |
C13 | C14 | H142 | 112.9° | 109.5° |
C13 | C14 | H143 | 112.8° | 109.4° |
C15 | C13 | H13 | 108.1° | 109.5° |
C13 | C15 | C16 | 116.2° | 109.5° |
C13 | C15 | H151 | 109.8° | 109.5° |
C13 | C15 | H152 | 109.8° | 109.4° |
H141 | C14 | H142 | 113.0° | 109.5° |
H141 | C14 | H143 | 112.9° | 109.5° |
H142 | C14 | H143 | 97.6° | 109.5° |
C16 | C15 | H151 | 109.8° | 109.4° |
C16 | C15 | H152 | 109.7° | 109.5° |
C15 | C16 | C17 | 117.6° | 109.5° |
C15 | C16 | H161 | 109.3° | 109.5° |
C15 | C16 | H162 | 109.3° | 109.5° |
H151 | C15 | H152 | 100.4° | 109.5° |
C17 | C16 | H161 | 109.2° | 109.4° |
C17 | C16 | H162 | 109.3° | 109.4° |
C16 | C17 | C18 | 122.6° | 109.5° |
C16 | C17 | H171 | 107.5° | 109.5° |
C16 | C17 | H172 | 107.6° | 109.4° |
H161 | C16 | H162 | 100.9° | 109.5° |
C18 | C17 | H171 | 107.5° | 109.5° |
C18 | C17 | H172 | 107.5° | 109.5° |
C17 | C18 | C19 | 119.8° | 109.4° |
C17 | C18 | C20 | 122.0° | 109.5° |
C17 | C18 | H18 | 37.2° | 109.5° |
H171 | C17 | H172 | 102.3° | 109.5° |
C19 | C18 | C20 | 118.3° | 109.4° |
C19 | C18 | H18 | 156.7° | 109.5° |
C18 | C19 | H191 | 119.8° | 109.5° |
C18 | C19 | H192 | 108.6° | 109.5° |
C18 | C19 | H193 | 108.5° | 109.4° |
C20 | C18 | H18 | 84.9° | 109.5° |
C18 | C20 | C21 | 122.0° | 109.5° |
C18 | C20 | H201 | 107.7° | 109.5° |
C18 | C20 | H202 | 107.7° | 109.5° |
H191 | C19 | H192 | 108.5° | 109.5° |
H191 | C19 | H193 | 108.4° | 109.4° |
H192 | C19 | H193 | 101.5° | 109.5° |
C21 | C20 | H201 | 107.8° | 109.5° |
C21 | C20 | H202 | 107.7° | 109.4° |
C20 | C21 | C22 | 117.0° | 109.5° |
C20 | C21 | H211 | 109.5° | 109.5° |
C20 | C21 | H212 | 109.5° | 109.5° |
H201 | C20 | H202 | 102.1° | 109.4° |
C22 | C21 | H211 | 109.5° | 109.4° |
C22 | C21 | H212 | 109.5° | 109.4° |
C21 | C22 | C23 | 121.0° | 109.5° |
C21 | C22 | H221 | 108.1° | 109.5° |
C21 | C22 | H222 | 108.1° | 109.5° |
H211 | C21 | H212 | 100.7° | 109.6° |
C23 | C22 | H221 | 108.1° | 109.4° |
C23 | C22 | H222 | 108.1° | 109.5° |
C22 | C23 | C24 | 118.1° | 109.4° |
C22 | C23 | C25 | 121.9° | 109.5° |
C22 | C23 | H23 | 92.6° | 109.5° |
H221 | C22 | H222 | 101.8° | 109.4° |
C24 | C23 | C25 | 120.1° | 109.5° |
C24 | C23 | H23 | 149.4° | 109.5° |
C23 | C24 | H241 | 118.1° | 109.5° |
C23 | C24 | H242 | 109.1° | 109.5° |
C23 | C24 | H243 | 109.1° | 109.4° |
C25 | C23 | H23 | 29.3° | 109.4° |
C23 | C25 | C26 | 116.8° | 109.5° |
C23 | C25 | H251 | 109.6° | 109.5° |
C23 | C25 | H252 | 109.5° | 109.5° |
H241 | C24 | H242 | 109.2° | 109.5° |
H241 | C24 | H243 | 109.1° | 109.4° |
H242 | C24 | H243 | 101.0° | 109.5° |
C26 | C25 | H251 | 109.6° | 109.5° |
C26 | C25 | H252 | 109.6° | 109.5° |
C25 | C26 | C27 | 108.2° | 109.5° |
C25 | C26 | H261 | 112.6° | 109.5° |
C25 | C26 | H262 | 112.7° | 109.4° |
H251 | C25 | H252 | 100.5° | 109.4° |
C27 | C26 | H261 | 112.7° | 109.5° |
C27 | C26 | H262 | 112.7° | 109.5° |
C26 | C27 | C28 | 116.4° | 109.5° |
C26 | C27 | H271 | 109.7° | 109.5° |
C26 | C27 | H272 | 109.7° | 109.5° |
H261 | C26 | H262 | 97.8° | 109.5° |
C28 | C27 | H271 | 109.7° | 109.5° |
C28 | C27 | H272 | 109.7° | 109.4° |
C27 | C28 | C29 | 114.5° | 109.5° |
C27 | C28 | C30 | 111.4° | 109.5° |
C27 | C28 | H28 | 104.7° | 109.5° |
H271 | C27 | H272 | 100.5° | 109.4° |
C29 | C28 | C30 | 110.0° | 109.5° |
C29 | C28 | H28 | 106.2° | 109.4° |
C28 | C29 | H291 | 114.5° | 109.5° |
C28 | C29 | H292 | 110.4° | 109.5° |
C28 | C29 | H293 | 110.4° | 109.5° |
C30 | C28 | H28 | 109.8° | 109.5° |
C28 | C30 | H301 | 111.4° | 109.4° |
C28 | C30 | H302 | 111.5° | 109.4° |
C28 | C30 | H303 | 111.5° | 109.5° |
H291 | C29 | H292 | 110.3° | 109.5° |
H291 | C29 | H293 | 110.4° | 109.5° |
H292 | C29 | H293 | 99.8° | 109.4° |
H301 | C30 | H302 | 111.6° | 109.5° |
H301 | C30 | H303 | 111.5° | 109.5° |
H302 | C30 | H303 | 98.9° | 109.6° |
C42 | C41 | O2 | 105.5° | 109.5° |
C42 | C41 | H411 | 113.7° | 109.5° |
C42 | C41 | H412 | 113.7° | 109.4° |
C41 | C42 | C43 | 122.3° | 109.5° |
C41 | C42 | H421 | 107.6° | 109.5° |
C41 | C42 | H422 | 107.6° | 109.4° |
O2 | C41 | H411 | 113.7° | 109.5° |
O2 | C41 | H412 | 113.7° | 109.5° |
H411 | C41 | H412 | 96.8° | 109.5° |
C43 | C42 | H421 | 107.7° | 109.5° |
C43 | C42 | H422 | 107.7° | 109.5° |
C42 | C43 | C44 | 111.8° | 109.5° |
C42 | C43 | C45 | 111.3° | 109.4° |
C42 | C43 | H43 | 106.7° | 109.5° |
H421 | C42 | H422 | 102.1° | 109.5° |
C44 | C43 | C45 | 110.0° | 109.5° |
C44 | C43 | H43 | 108.1° | 109.5° |
C43 | C44 | H441 | 111.8° | 109.5° |
C43 | C44 | H442 | 111.3° | 109.5° |
C43 | C44 | H443 | 111.3° | 109.5° |
C45 | C43 | H43 | 108.6° | 109.4° |
C43 | C45 | C46 | 121.2° | 109.4° |
C43 | C45 | H451 | 108.1° | 109.5° |
C43 | C45 | H452 | 108.0° | 109.4° |
H441 | C44 | H442 | 111.4° | 109.5° |
H441 | C44 | H443 | 111.4° | 109.4° |
H442 | C44 | H443 | 99.0° | 109.4° |
C46 | C45 | H451 | 108.0° | 109.5° |
C46 | C45 | H452 | 108.0° | 109.5° |
C45 | C46 | C47 | 119.7° | 109.5° |
C45 | C46 | H461 | 108.6° | 109.5° |
C45 | C46 | H462 | 108.5° | 109.5° |
H451 | C45 | H452 | 101.9° | 109.5° |
C47 | C46 | H461 | 108.5° | 109.5° |
C47 | C46 | H462 | 108.5° | 109.4° |
C46 | C47 | C48 | 123.2° | 109.5° |
C46 | C47 | H471 | 107.3° | 109.5° |
C46 | C47 | H472 | 107.3° | 109.5° |
H461 | C46 | H462 | 101.5° | 109.5° |
C48 | C47 | H471 | 107.3° | 109.5° |
C48 | C47 | H472 | 107.3° | 109.5° |
C47 | C48 | C49 | 113.0° | 109.4° |
C47 | C48 | C50 | 109.2° | 109.5° |
C47 | C48 | H48 | 107.5° | 109.5° |
H471 | C47 | H472 | 102.4° | 109.4° |
C49 | C48 | C50 | 110.1° | 109.4° |
C49 | C48 | H48 | 106.4° | 109.5° |
C48 | C49 | H491 | 113.0° | 109.4° |
C48 | C49 | H492 | 110.9° | 109.4° |
C48 | C49 | H493 | 110.9° | 109.5° |
C50 | C48 | H48 | 110.5° | 109.5° |
C48 | C50 | C51 | 114.5° | 109.5° |
C48 | C50 | H501 | 110.4° | 109.5° |
C48 | C50 | H502 | 110.3° | 109.5° |
H491 | C49 | H492 | 110.9° | 109.6° |
H491 | C49 | H493 | 110.9° | 109.5° |
H492 | C49 | H493 | 99.4° | 109.5° |
C51 | C50 | H501 | 110.4° | 109.5° |
C51 | C50 | H502 | 110.3° | 109.5° |
C50 | C51 | C52 | 115.3° | 109.5° |
C50 | C51 | H511 | 110.1° | 109.5° |
C50 | C51 | H512 | 110.1° | 109.5° |
H501 | C50 | H502 | 100.0° | 109.5° |
C52 | C51 | H511 | 110.1° | 109.5° |
C52 | C51 | H512 | 110.1° | 109.5° |
C51 | C52 | C53 | 118.2° | 109.5° |
C51 | C52 | H521 | 109.1° | 109.5° |
C51 | C52 | H522 | 109.1° | 109.5° |
H511 | C51 | H512 | 100.1° | 109.4° |
C53 | C52 | H521 | 109.0° | 109.5° |
C53 | C52 | H522 | 109.0° | 109.4° |
C52 | C53 | C54 | 114.3° | 109.5° |
C52 | C53 | C55 | 106.7° | 109.5° |
C52 | C53 | H53 | 110.1° | 109.5° |
H521 | C52 | H522 | 101.0° | 109.4° |
C54 | C53 | C55 | 114.7° | 109.4° |
C54 | C53 | H53 | 101.2° | 109.5° |
C53 | C54 | H541 | 114.3° | 109.5° |
C53 | C54 | H542 | 110.5° | 109.5° |
C53 | C54 | H543 | 110.5° | 109.5° |
C55 | C53 | H53 | 109.7° | 109.5° |
C53 | C55 | C56 | 120.2° | 109.5° |
C53 | C55 | H551 | 108.3° | 109.5° |
C53 | C55 | H552 | 108.4° | 109.5° |
H541 | C54 | H542 | 110.5° | 109.5° |
H541 | C54 | H543 | 110.4° | 109.4° |
H542 | C54 | H543 | 99.8° | 109.4° |
C56 | C55 | H551 | 108.4° | 109.5° |
C56 | C55 | H552 | 108.3° | 109.4° |
C55 | C56 | C57 | 116.6° | 109.5° |
C55 | C56 | H561 | 109.6° | 109.5° |
C55 | C56 | H562 | 109.7° | 109.5° |
H551 | C55 | H552 | 101.6° | 109.5° |
C57 | C56 | H561 | 109.6° | 109.5° |
C57 | C56 | H562 | 109.7° | 109.4° |
C56 | C57 | C58 | 116.8° | 109.5° |
C56 | C57 | H571 | 109.5° | 109.5° |
C56 | C57 | H572 | 109.6° | 109.5° |
H561 | C56 | H562 | 100.5° | 109.5° |
C58 | C57 | H571 | 109.6° | 109.5° |
C58 | C57 | H572 | 109.6° | 109.4° |
C57 | C58 | C59 | 115.2° | 109.5° |
C57 | C58 | C60 | 111.2° | 109.5° |
C57 | C58 | H58 | 104.4° | 109.4° |
H571 | C57 | H572 | 100.6° | 109.5° |
C59 | C58 | C60 | 110.3° | 109.5° |
C59 | C58 | H58 | 105.4° | 109.4° |
C58 | C59 | H591 | 115.2° | 109.5° |
C58 | C59 | H592 | 110.2° | 109.5° |
C58 | C59 | H593 | 110.1° | 109.5° |
C60 | C58 | H58 | 110.0° | 109.5° |
C58 | C60 | H601 | 111.1° | 109.4° |
C58 | C60 | H602 | 111.6° | 109.5° |
C58 | C60 | H603 | 111.5° | 109.5° |
H591 | C59 | H592 | 110.1° | 109.5° |
H591 | C59 | H593 | 110.2° | 109.5° |
H592 | C59 | H593 | 100.0° | 109.5° |
H601 | C60 | H602 | 111.5° | 109.6° |
H601 | C60 | H603 | 111.7° | 109.4° |
H602 | C60 | H603 | 98.9° | 109.5° |
O3 | P1 | O4 | 110.5° | 109.5° |
O3 | P1 | O5 | 109.5° | 109.4° |
O3 | P1 | O6 | 100.9° | 109.4° |
O4 | P1 | O5 | 112.5° | 109.5° |
O4 | P1 | O6 | 111.7° | 109.5° |
P1 | O5 | HO5 | 109.5° | 106.8° |
O5 | P1 | O6 | 111.2° | 109.5° |
O8 | P2 | O9 | 109.4° | 109.5° |
O8 | P2 | O10 | 107.6° | 109.5° |
O8 | P2 | O11 | 109.2° | 109.5° |
O9 | P2 | O10 | 112.2° | 109.4° |
O9 | P2 | O11 | 108.8° | 109.5° |
P2 | O10 | HOA | 107.6° | 106.8° |
O10 | P2 | O11 | 109.5° | 109.4° |
P2 | O11 | CM | 124.1° | 106.8° |
O11 | CM | HM1 | 124.1° | 109.5° |
O11 | CM | HM2 | 107.0° | 109.5° |
O11 | CM | HM3 | 107.0° | 109.5° |
HM1 | CM | HM2 | 107.0° | 109.5° |
HM1 | CM | HM3 | 107.1° | 109.5° |
HM2 | CM | HM3 | 102.6° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | H11 | 125.2° | 120.0° |
C2 | C1 | O1 | H12 | 125.3° | 120.0° |
C2 | C1 | H11 | H12 | 117.3° | 119.9° |
C1 | C2 | C3 | O2 | 125.1° | 119.9° |
C1 | C2 | C3 | H2 | 116.6° | 120.0° |
C1 | C2 | O2 | H2 | 116.9° | 120.1° |
C1 | C2 | C3 | O3 | 124.3° | 60.0° |
C1 | C2 | C3 | H31 | 110.5° | 179.9° |
C1 | C2 | C3 | H32 | 1.0° | 60.0° |
C2 | C1 | O1 | C11 | 119.0° | 180.0° |
C1 | C2 | O2 | C41 | 79.7° | 150.0° |
O1 | C1 | H11 | H12 | 117.2° | 120.1° |
O1 | C1 | C2 | C3 | 120.2° | 60.0° |
O1 | C1 | C2 | O2 | 5.6° | 59.9° |
O1 | C1 | C2 | H2 | 124.0° | 180.0° |
C1 | O1 | C11 | C12 | 162.2° | 180.0° |
C1 | O1 | C11 | H111 | 37.0° | 60.0° |
C1 | O1 | C11 | H112 | 72.5° | 60.0° |
H11 | C1 | C2 | C3 | 114.6° | 180.0° |
H11 | C1 | C2 | O2 | 119.6° | 60.1° |
H11 | C1 | C2 | H2 | 1.2° | 60.0° |
H11 | C1 | O1 | C11 | 6.2° | 60.0° |
H12 | C1 | C2 | C3 | 5.0° | 60.1° |
H12 | C1 | C2 | O2 | 130.8° | 180.0° |
H12 | C1 | C2 | H2 | 110.8° | 60.0° |
H12 | C1 | O1 | C11 | 115.7° | 60.0° |
C3 | C2 | O2 | H2 | 116.0° | 120.0° |
C2 | C3 | O3 | H31 | 125.2° | 120.0° |
C2 | C3 | O3 | H32 | 125.2° | 120.0° |
C2 | C3 | H31 | H32 | 117.5° | 120.0° |
C3 | C2 | O2 | C41 | 47.3° | 90.0° |
C2 | C3 | O3 | P1 | 161.0° | 180.0° |
O2 | C2 | C3 | O3 | 110.6° | 60.0° |
O2 | C2 | C3 | H31 | 14.6° | 60.0° |
O2 | C2 | C3 | H32 | 124.1° | 180.0° |
C2 | O2 | C41 | C42 | 171.5° | 179.9° |
C2 | O2 | C41 | H411 | 63.3° | 60.0° |
C2 | O2 | C41 | H412 | 46.2° | 60.0° |
H2 | C2 | C3 | O3 | 7.7° | 180.0° |
H2 | C2 | C3 | H31 | 133.0° | 60.0° |
H2 | C2 | C3 | H32 | 117.6° | 60.0° |
H2 | C2 | O2 | C41 | 163.4° | 30.0° |
O3 | C3 | H31 | H32 | 117.6° | 119.9° |
C3 | O3 | P1 | O4 | 93.0° | 60.0° |
C3 | O3 | P1 | O5 | 31.5° | 60.0° |
C3 | O3 | P1 | O6 | 148.7° | 180.0° |
H31 | C3 | O3 | P1 | 35.8° | 60.0° |
H32 | C3 | O3 | P1 | 73.7° | 60.0° |
C5 | C4 | O6 | H41 | 125.3° | 120.0° |
C5 | C4 | O6 | H42 | 125.3° | 119.9° |
C5 | C4 | H41 | H42 | 114.6° | 119.9° |
C4 | C5 | C6 | O7 | 123.8° | 120.0° |
C4 | C5 | C6 | H5 | 117.3° | 120.0° |
C4 | C5 | O7 | H5 | 117.2° | 120.0° |
C4 | C5 | C6 | O8 | 155.2° | 180.0° |
C4 | C5 | C6 | H61 | 30.0° | 60.0° |
C4 | C5 | C6 | H62 | 79.5° | 60.0° |
C5 | C4 | O6 | P1 | 66.2° | 180.0° |
C4 | C5 | O7 | HO7 | 180.0° | 60.1° |
O6 | C4 | H41 | H42 | 114.6° | 120.1° |
O6 | C4 | C5 | C6 | 47.7° | 180.0° |
O6 | C4 | C5 | O7 | 167.1° | 60.0° |
O6 | C4 | C5 | H5 | 74.3° | 60.0° |
C4 | O6 | P1 | O3 | 59.4° | 180.0° |
C4 | O6 | P1 | O4 | 58.0° | 60.0° |
C4 | O6 | P1 | O5 | 175.5° | 60.0° |
H41 | C4 | C5 | C6 | 77.5° | 60.0° |
H41 | C4 | C5 | O7 | 41.9° | 180.0° |
H41 | C4 | C5 | H5 | 160.5° | 60.0° |
H41 | C4 | O6 | P1 | 168.5° | 60.0° |
H42 | C4 | C5 | C6 | 173.0° | 60.0° |
H42 | C4 | C5 | O7 | 67.6° | 60.0° |
H42 | C4 | C5 | H5 | 51.0° | 180.0° |
H42 | C4 | O6 | P1 | 59.0° | 60.0° |
C6 | C5 | O7 | H5 | 122.1° | 120.0° |
C5 | C6 | O8 | H61 | 125.3° | 120.0° |
C5 | C6 | O8 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 116.6° | 120.0° |
C6 | C5 | O7 | HO7 | 59.3° | 59.9° |
C5 | C6 | O8 | P2 | 118.6° | 180.0° |
O7 | C5 | C6 | O8 | 31.4° | 60.0° |
O7 | C5 | C6 | H61 | 93.9° | 179.9° |
O7 | C5 | C6 | H62 | 156.7° | 60.0° |
H5 | C5 | C6 | O8 | 87.4° | 60.0° |
H5 | C5 | C6 | H61 | 147.3° | 60.0° |
H5 | C5 | C6 | H62 | 37.9° | 180.0° |
H5 | C5 | O7 | HO7 | 62.8° | 179.9° |
O8 | C6 | H61 | H62 | 116.7° | 120.0° |
C6 | O8 | P2 | O9 | 6.7° | 60.0° |
C6 | O8 | P2 | O10 | 115.4° | 60.0° |
C6 | O8 | P2 | O11 | 125.8° | 180.0° |
H61 | C6 | O8 | P2 | 6.7° | 60.1° |
H62 | C6 | O8 | P2 | 116.2° | 60.0° |
C12 | C11 | O1 | H111 | 125.2° | 120.0° |
C12 | C11 | O1 | H112 | 125.2° | 120.0° |
C12 | C11 | H111 | H112 | 118.3° | 120.1° |
C11 | C12 | C13 | H121 | 125.3° | 120.1° |
C11 | C12 | C13 | H122 | 125.3° | 120.0° |
C11 | C12 | H121 | H122 | 115.4° | 120.1° |
C11 | C12 | C13 | C14 | 62.2° | 60.0° |
C11 | C12 | C13 | C15 | 179.9° | 180.0° |
C11 | C12 | C13 | H13 | 60.8° | 60.0° |
O1 | C11 | H111 | H112 | 118.3° | 120.0° |
O1 | C11 | C12 | C13 | 110.4° | 180.0° |
O1 | C11 | C12 | H121 | 14.9° | 60.0° |
O1 | C11 | C12 | H122 | 124.4° | 60.0° |
H111 | C11 | C12 | C13 | 14.9° | 60.0° |
H111 | C11 | C12 | H121 | 140.2° | 180.0° |
H111 | C11 | C12 | H122 | 110.4° | 59.9° |
H112 | C11 | C12 | C13 | 124.3° | 60.1° |
H112 | C11 | C12 | H121 | 110.4° | 60.0° |
H112 | C11 | C12 | H122 | 0.9° | 180.0° |
C13 | C12 | H121 | H122 | 115.4° | 119.9° |
C12 | C13 | C14 | C15 | 122.1° | 120.0° |
C12 | C13 | C14 | H13 | 118.7° | 120.0° |
C12 | C13 | C15 | H13 | 118.7° | 120.0° |
C12 | C13 | C14 | H141 | 180.0° | 60.0° |
C12 | C13 | C14 | H142 | 54.7° | 180.0° |
C12 | C13 | C14 | H143 | 54.7° | 60.0° |
C12 | C13 | C15 | C16 | 124.1° | 180.0° |
C12 | C13 | C15 | H151 | 110.6° | 60.0° |
C12 | C13 | C15 | H152 | 1.1° | 60.0° |
H121 | C12 | C13 | C14 | 63.1° | 60.0° |
H121 | C12 | C13 | C15 | 54.6° | 59.9° |
H121 | C12 | C13 | H13 | 173.9° | 179.9° |
H122 | C12 | C13 | C14 | 172.6° | 180.0° |
H122 | C12 | C13 | C15 | 54.8° | 60.0° |
H122 | C12 | C13 | H13 | 64.4° | 60.0° |
C14 | C13 | C15 | H13 | 123.0° | 120.0° |
C13 | C14 | H141 | H142 | 125.3° | 120.0° |
C13 | C14 | H141 | H143 | 125.2° | 119.9° |
C13 | C14 | H142 | H143 | 118.8° | 120.0° |
C14 | C13 | C15 | C16 | 117.6° | 60.0° |
C14 | C13 | C15 | H151 | 7.7° | 60.0° |
C14 | C13 | C15 | H152 | 117.2° | 180.0° |
C15 | C13 | C14 | H141 | 57.8° | 60.0° |
C15 | C13 | C14 | H142 | 176.8° | 60.0° |
C15 | C13 | C14 | H143 | 67.4° | 180.0° |
C13 | C15 | C16 | H151 | 125.3° | 120.0° |
C13 | C15 | C16 | H152 | 125.3° | 120.0° |
C13 | C15 | H151 | H152 | 115.6° | 120.0° |
C13 | C15 | C16 | C17 | 123.0° | 180.0° |
C13 | C15 | C16 | H161 | 111.8° | 60.0° |
C13 | C15 | C16 | H162 | 2.3° | 60.0° |
H13 | C13 | C14 | H141 | 61.4° | 180.0° |
H13 | C13 | C14 | H142 | 64.0° | 60.0° |
H13 | C13 | C14 | H143 | 173.4° | 60.1° |
H13 | C13 | C15 | C16 | 5.4° | 60.0° |
H13 | C13 | C15 | H151 | 130.7° | 180.0° |
H13 | C13 | C15 | H152 | 119.8° | 60.0° |
H141 | C14 | H142 | H143 | 118.9° | 120.1° |
C16 | C15 | H151 | H152 | 115.5° | 120.0° |
C15 | C16 | C17 | H161 | 125.2° | 120.0° |
C15 | C16 | C17 | H162 | 125.3° | 120.0° |
C15 | C16 | H161 | H162 | 115.1° | 120.0° |
C15 | C16 | C17 | C18 | 59.5° | 180.0° |
C15 | C16 | C17 | H171 | 175.3° | 60.0° |
C15 | C16 | C17 | H172 | 65.8° | 60.0° |
H151 | C15 | C16 | C17 | 2.3° | 60.0° |
H151 | C15 | C16 | H161 | 122.9° | 179.9° |
H151 | C15 | C16 | H162 | 127.6° | 60.0° |
H152 | C15 | C16 | C17 | 111.8° | 60.0° |
H152 | C15 | C16 | H161 | 13.5° | 60.0° |
H152 | C15 | C16 | H162 | 123.0° | 180.0° |
C17 | C16 | H161 | H162 | 115.0° | 119.9° |
C16 | C17 | C18 | H171 | 125.2° | 120.1° |
C16 | C17 | C18 | H172 | 125.3° | 119.9° |
C16 | C17 | H171 | H172 | 113.1° | 119.9° |
C16 | C17 | C18 | C19 | 25.3° | 60.0° |
C16 | C17 | C18 | C20 | 154.8° | 180.0° |
C16 | C17 | C18 | H18 | 149.8° | 60.0° |
H161 | C16 | C17 | C18 | 65.8° | 60.0° |
H161 | C16 | C17 | H171 | 59.5° | 180.0° |
H161 | C16 | C17 | H172 | 169.0° | 60.0° |
H162 | C16 | C17 | C18 | 175.2° | 60.0° |
H162 | C16 | C17 | H171 | 50.0° | 60.1° |
H162 | C16 | C17 | H172 | 59.5° | 180.0° |
C18 | C17 | H171 | H172 | 113.1° | 120.0° |
C17 | C18 | C19 | C20 | 179.9° | 120.0° |
C17 | C18 | C19 | H18 | 7.5° | 120.0° |
C17 | C18 | C20 | H18 | 3.0° | 120.0° |
C17 | C18 | C19 | H191 | 180.0° | 59.9° |
C17 | C18 | C19 | H192 | 54.7° | 180.0° |
C17 | C18 | C19 | H193 | 54.8° | 60.0° |
C17 | C18 | C20 | C21 | 130.5° | 180.0° |
C17 | C18 | C20 | H201 | 5.3° | 60.0° |
C17 | C18 | C20 | H202 | 104.3° | 60.0° |
H171 | C17 | C18 | C19 | 99.9° | 60.0° |
H171 | C17 | C18 | C20 | 80.0° | 59.9° |
H171 | C17 | C18 | H18 | 85.0° | 179.9° |
H172 | C17 | C18 | C19 | 150.6° | 180.0° |
H172 | C17 | C18 | C20 | 29.5° | 60.1° |
H172 | C17 | C18 | H18 | 24.5° | 59.9° |
C19 | C18 | C20 | H18 | 177.1° | 120.0° |
C18 | C19 | H191 | H192 | 125.3° | 120.0° |
C18 | C19 | H191 | H193 | 125.2° | 120.0° |
C18 | C19 | H192 | H193 | 114.2° | 120.0° |
C19 | C18 | C20 | C21 | 49.4° | 60.0° |
C19 | C18 | C20 | H201 | 174.6° | 60.0° |
C19 | C18 | C20 | H202 | 75.8° | 180.0° |
C20 | C18 | C19 | H191 | 0.1° | 60.0° |
C20 | C18 | C19 | H192 | 125.4° | 60.0° |
C20 | C18 | C19 | H193 | 125.1° | 180.0° |
C18 | C20 | C21 | H201 | 125.2° | 120.1° |
C18 | C20 | C21 | H202 | 125.2° | 120.0° |
C18 | C20 | H201 | H202 | 113.3° | 120.0° |
C18 | C20 | C21 | C22 | 45.2° | 180.0° |
C18 | C20 | C21 | H211 | 170.5° | 60.0° |
C18 | C20 | C21 | H212 | 80.0° | 60.1° |
H18 | C18 | C19 | H191 | 172.6° | 180.0° |
H18 | C18 | C19 | H192 | 47.3° | 60.0° |
H18 | C18 | C19 | H193 | 62.3° | 60.0° |
H18 | C18 | C20 | C21 | 133.6° | 60.0° |
H18 | C18 | C20 | H201 | 8.3° | 180.0° |
H18 | C18 | C20 | H202 | 101.2° | 60.0° |
H191 | C19 | H192 | H193 | 114.1° | 120.0° |
C21 | C20 | H201 | H202 | 113.3° | 119.9° |
C20 | C21 | C22 | H211 | 125.3° | 120.0° |
C20 | C21 | C22 | H212 | 125.2° | 120.0° |
C20 | C21 | H211 | H212 | 115.3° | 120.1° |
C20 | C21 | C22 | C23 | 162.9° | 180.0° |
C20 | C21 | C22 | H221 | 71.8° | 60.0° |
C20 | C21 | C22 | H222 | 37.7° | 60.0° |
H201 | C20 | C21 | C22 | 80.0° | 59.9° |
H201 | C20 | C21 | H211 | 45.2° | 179.9° |
H201 | C20 | C21 | H212 | 154.8° | 60.0° |
H202 | C20 | C21 | C22 | 170.4° | 60.0° |
H202 | C20 | C21 | H211 | 64.3° | 60.0° |
H202 | C20 | C21 | H212 | 45.2° | 179.9° |
C22 | C21 | H211 | H212 | 115.2° | 119.9° |
C21 | C22 | C23 | H221 | 125.3° | 120.0° |
C21 | C22 | C23 | H222 | 125.3° | 120.0° |
C21 | C22 | H221 | H222 | 113.8° | 120.0° |
C21 | C22 | C23 | C24 | 24.7° | 60.0° |
C21 | C22 | C23 | C25 | 155.3° | 180.0° |
C21 | C22 | C23 | H23 | 154.2° | 60.0° |
H211 | C21 | C22 | C23 | 37.7° | 60.0° |
H211 | C21 | C22 | H221 | 162.9° | 180.0° |
H211 | C21 | C22 | H222 | 87.6° | 60.0° |
H212 | C21 | C22 | C23 | 71.8° | 60.0° |
H212 | C21 | C22 | H221 | 53.4° | 60.0° |
H212 | C21 | C22 | H222 | 162.9° | 180.0° |
C23 | C22 | H221 | H222 | 113.7° | 120.0° |
C22 | C23 | C24 | C25 | 180.0° | 120.0° |
C22 | C23 | C24 | H23 | 178.0° | 120.0° |
C22 | C23 | C25 | H23 | 2.2° | 120.0° |
C22 | C23 | C24 | H241 | 180.0° | 60.1° |
C22 | C23 | C24 | H242 | 54.7° | 60.0° |
C22 | C23 | C24 | H243 | 54.7° | 180.0° |
C22 | C23 | C25 | C26 | 146.1° | 180.0° |
C22 | C23 | C25 | H251 | 88.6° | 60.0° |
C22 | C23 | C25 | H252 | 20.8° | 60.0° |
H221 | C22 | C23 | C24 | 150.0° | 180.0° |
H221 | C22 | C23 | C25 | 30.0° | 60.0° |
H221 | C22 | C23 | H23 | 28.9° | 60.0° |
H222 | C22 | C23 | C24 | 100.5° | 60.0° |
H222 | C22 | C23 | C25 | 79.4° | 60.0° |
H222 | C22 | C23 | H23 | 80.5° | 180.0° |
C24 | C23 | C25 | H23 | 177.8° | 120.0° |
C23 | C24 | H241 | H242 | 125.3° | 120.0° |
C23 | C24 | H241 | H243 | 125.2° | 119.9° |
C23 | C24 | H242 | H243 | 114.8° | 120.0° |
C24 | C23 | C25 | C26 | 33.8° | 60.0° |
C24 | C23 | C25 | H251 | 91.5° | 179.9° |
C24 | C23 | C25 | H252 | 159.1° | 60.0° |
C25 | C23 | C24 | H241 | 0.1° | 60.0° |
C25 | C23 | C24 | H242 | 125.2° | 180.0° |
C25 | C23 | C24 | H243 | 125.3° | 59.9° |
C23 | C25 | C26 | H251 | 125.3° | 120.1° |
C23 | C25 | C26 | H252 | 125.3° | 120.0° |
C23 | C25 | H251 | H252 | 115.3° | 120.0° |
C23 | C25 | C26 | C27 | 99.3° | 180.0° |
C23 | C25 | C26 | H261 | 135.4° | 60.0° |
C23 | C25 | C26 | H262 | 26.0° | 60.0° |
H23 | C23 | C24 | H241 | 2.0° | 179.9° |
H23 | C23 | C24 | H242 | 127.3° | 60.0° |
H23 | C23 | C24 | H243 | 123.2° | 60.0° |
H23 | C23 | C25 | C26 | 148.3° | 60.0° |
H23 | C23 | C25 | H251 | 86.4° | 60.1° |
H23 | C23 | C25 | H252 | 23.0° | 180.0° |
H241 | C24 | H242 | H243 | 114.8° | 120.0° |
C26 | C25 | H251 | H252 | 115.4° | 120.0° |
C25 | C26 | C27 | H261 | 125.2° | 120.0° |
C25 | C26 | C27 | H262 | 125.3° | 119.9° |
C25 | C26 | H261 | H262 | 118.6° | 120.0° |
C25 | C26 | C27 | C28 | 142.5° | 180.0° |
C25 | C26 | C27 | H271 | 92.2° | 60.0° |
C25 | C26 | C27 | H272 | 17.3° | 60.0° |
H251 | C25 | C26 | C27 | 26.0° | 59.9° |
H251 | C25 | C26 | H261 | 99.3° | 179.9° |
H251 | C25 | C26 | H262 | 151.3° | 60.0° |
H252 | C25 | C26 | C27 | 135.4° | 60.0° |
H252 | C25 | C26 | H261 | 10.2° | 60.0° |
H252 | C25 | C26 | H262 | 99.3° | 180.0° |
C27 | C26 | H261 | H262 | 118.7° | 120.1° |
C26 | C27 | C28 | H271 | 125.3° | 120.0° |
C26 | C27 | C28 | H272 | 125.2° | 120.0° |
C26 | C27 | H271 | H272 | 115.5° | 120.1° |
C26 | C27 | C28 | C29 | 69.4° | 180.0° |
C26 | C27 | C28 | C30 | 165.1° | 60.0° |
C26 | C27 | C28 | H28 | 46.5° | 60.0° |
H261 | C26 | C27 | C28 | 17.3° | 60.0° |
H261 | C26 | C27 | H271 | 142.6° | 180.0° |
H261 | C26 | C27 | H272 | 107.9° | 60.0° |
H262 | C26 | C27 | C28 | 92.2° | 60.1° |
H262 | C26 | C27 | H271 | 33.1° | 60.0° |
H262 | C26 | C27 | H272 | 142.5° | 180.0° |
C28 | C27 | H271 | H272 | 115.5° | 119.9° |
C27 | C28 | C29 | C30 | 126.3° | 120.1° |
C27 | C28 | C29 | H28 | 115.0° | 120.0° |
C27 | C28 | C30 | H28 | 115.5° | 120.0° |
C27 | C28 | C29 | H291 | 180.0° | 180.0° |
C27 | C28 | C29 | H292 | 54.7° | 60.0° |
C27 | C28 | C29 | H293 | 54.7° | 60.0° |
C27 | C28 | C30 | H301 | 179.9° | 60.0° |
C27 | C28 | C30 | H302 | 54.7° | 59.9° |
C27 | C28 | C30 | H303 | 54.7° | 180.0° |
H271 | C27 | C28 | C29 | 165.3° | 59.9° |
H271 | C27 | C28 | C30 | 39.8° | 180.0° |
H271 | C27 | C28 | H28 | 78.8° | 60.0° |
H272 | C27 | C28 | C29 | 55.8° | 60.0° |
H272 | C27 | C28 | C30 | 69.7° | 60.0° |
H272 | C27 | C28 | H28 | 171.7° | 179.9° |
C29 | C28 | C30 | H28 | 116.5° | 119.9° |
C28 | C29 | H291 | H292 | 125.3° | 120.1° |
C28 | C29 | H291 | H293 | 125.3° | 120.0° |
C28 | C29 | H292 | H293 | 116.2° | 120.0° |
C29 | C28 | C30 | H301 | 51.9° | 60.0° |
C29 | C28 | C30 | H302 | 177.3° | 180.0° |
C29 | C28 | C30 | H303 | 73.3° | 59.9° |
C30 | C28 | C29 | H291 | 53.7° | 60.0° |
C30 | C28 | C29 | H292 | 71.5° | 180.0° |
C30 | C28 | C29 | H293 | 179.0° | 60.0° |
C28 | C30 | H301 | H302 | 125.3° | 119.9° |
C28 | C30 | H301 | H303 | 125.2° | 120.0° |
C28 | C30 | H302 | H303 | 117.4° | 120.1° |
H28 | C28 | C29 | H291 | 65.0° | 60.0° |
H28 | C28 | C29 | H292 | 169.7° | 60.0° |
H28 | C28 | C29 | H293 | 60.3° | 180.0° |
H28 | C28 | C30 | H301 | 64.6° | 180.0° |
H28 | C28 | C30 | H302 | 60.8° | 60.1° |
H28 | C28 | C30 | H303 | 170.2° | 60.0° |
H291 | C29 | H292 | H293 | 116.2° | 119.9° |
H301 | C30 | H302 | H303 | 117.4° | 120.1° |
C42 | C41 | O2 | H411 | 125.3° | 120.0° |
C42 | C41 | O2 | H412 | 125.2° | 120.0° |
C42 | C41 | H411 | H412 | 119.6° | 120.0° |
C41 | C42 | C43 | H421 | 125.3° | 120.0° |
C41 | C42 | C43 | H422 | 125.3° | 120.0° |
C41 | C42 | H421 | H422 | 113.2° | 120.0° |
C41 | C42 | C43 | C44 | 70.0° | 60.0° |
C41 | C42 | C43 | C45 | 166.4° | 180.0° |
C41 | C42 | C43 | H43 | 48.0° | 60.0° |
O2 | C41 | H411 | H412 | 119.6° | 120.0° |
O2 | C41 | C42 | C43 | 156.0° | 180.0° |
O2 | C41 | C42 | H421 | 30.7° | 60.0° |
O2 | C41 | C42 | H422 | 78.7° | 60.0° |
H411 | C41 | C42 | C43 | 30.8° | 60.0° |
H411 | C41 | C42 | H421 | 94.5° | 180.0° |
H411 | C41 | C42 | H422 | 156.0° | 60.0° |
H412 | C41 | C42 | C43 | 78.8° | 60.0° |
H412 | C41 | C42 | H421 | 155.9° | 60.0° |
H412 | C41 | C42 | H422 | 46.5° | 180.0° |
C43 | C42 | H421 | H422 | 113.2° | 120.0° |
C42 | C43 | C44 | C45 | 124.3° | 120.0° |
C42 | C43 | C44 | H43 | 117.2° | 120.1° |
C42 | C43 | C45 | H43 | 117.2° | 120.0° |
C42 | C43 | C44 | H441 | 180.0° | 60.0° |
C42 | C43 | C44 | H442 | 54.7° | 180.0° |
C42 | C43 | C44 | H443 | 54.7° | 60.0° |
C42 | C43 | C45 | C46 | 101.3° | NaN° |
C42 | C43 | C45 | H451 | 133.5° | 60.0° |
C42 | C43 | C45 | H452 | 23.9° | 60.0° |
H421 | C42 | C43 | C44 | 55.2° | 60.0° |
H421 | C42 | C43 | C45 | 68.3° | 60.0° |
H421 | C42 | C43 | H43 | 173.3° | 179.9° |
H422 | C42 | C43 | C44 | 164.7° | 180.0° |
H422 | C42 | C43 | C45 | 41.1° | 60.0° |
H422 | C42 | C43 | H43 | 77.3° | 59.9° |
C44 | C43 | C45 | H43 | 118.2° | 120.0° |
C43 | C44 | H441 | H442 | 125.3° | 120.1° |
C43 | C44 | H441 | H443 | 125.2° | 120.0° |
C43 | C44 | H442 | H443 | 117.2° | 120.0° |
C44 | C43 | C45 | C46 | 134.2° | 60.0° |
C44 | C43 | C45 | H451 | 8.9° | 60.0° |
C44 | C43 | C45 | H452 | 100.6° | 180.0° |
C45 | C43 | C44 | H441 | 55.7° | 60.0° |
C45 | C43 | C44 | H442 | 179.0° | 60.0° |
C45 | C43 | C44 | H443 | 69.5° | 180.0° |
C43 | C45 | C46 | H451 | 125.3° | 120.0° |
C43 | C45 | C46 | H452 | 125.3° | 119.9° |
C43 | C45 | H451 | H452 | 113.7° | 120.0° |
C43 | C45 | C46 | C47 | 62.3° | 180.0° |
C43 | C45 | C46 | H461 | 63.0° | 60.0° |
C43 | C45 | C46 | H462 | 172.5° | 60.0° |
H43 | C43 | C44 | H441 | 62.8° | 180.0° |
H43 | C43 | C44 | H442 | 62.5° | 60.0° |
H43 | C43 | C44 | H443 | 172.0° | 60.0° |
H43 | C43 | C45 | C46 | 16.0° | 60.0° |
H43 | C43 | C45 | H451 | 109.3° | 180.0° |
H43 | C43 | C45 | H452 | 141.2° | 60.0° |
H441 | C44 | H442 | H443 | 117.3° | 119.9° |
C46 | C45 | H451 | H452 | 113.6° | 120.0° |
C45 | C46 | C47 | H461 | 125.3° | 120.0° |
C45 | C46 | C47 | H462 | 125.2° | 120.0° |
C45 | C46 | H461 | H462 | 114.2° | 120.0° |
C45 | C46 | C47 | C48 | 101.9° | 180.0° |
C45 | C46 | C47 | H471 | 23.4° | 60.0° |
C45 | C46 | C47 | H472 | 132.9° | 60.0° |
H451 | C45 | C46 | C47 | 172.4° | 60.0° |
H451 | C45 | C46 | H461 | 62.3° | 179.9° |
H451 | C45 | C46 | H462 | 47.2° | 59.9° |
H452 | C45 | C46 | C47 | 63.0° | 60.1° |
H452 | C45 | C46 | H461 | 171.8° | 60.0° |
H452 | C45 | C46 | H462 | 62.3° | 180.0° |
C47 | C46 | H461 | H462 | 114.2° | 120.0° |
C46 | C47 | C48 | H471 | 125.3° | 120.0° |
C46 | C47 | C48 | H472 | 125.3° | 120.0° |
C46 | C47 | H471 | H472 | 112.9° | 120.0° |
C46 | C47 | C48 | C49 | 27.7° | 60.0° |
C46 | C47 | C48 | C50 | 95.3° | 180.0° |
C46 | C47 | C48 | H48 | 144.8° | 60.0° |
H461 | C46 | C47 | C48 | 132.8° | 60.0° |
H461 | C46 | C47 | H471 | 101.9° | 180.0° |
H461 | C46 | C47 | H472 | 7.6° | 60.0° |
H462 | C46 | C47 | C48 | 23.4° | 60.0° |
H462 | C46 | C47 | H471 | 148.6° | 60.0° |
H462 | C46 | C47 | H472 | 101.9° | 180.0° |
C48 | C47 | H471 | H472 | 112.8° | 120.0° |
C47 | C48 | C49 | C50 | 122.4° | 120.0° |
C47 | C48 | C49 | H48 | 117.8° | 120.0° |
C47 | C48 | C50 | H48 | 118.0° | 120.1° |
C47 | C48 | C49 | H491 | 180.0° | 60.0° |
C47 | C48 | C49 | H492 | 54.8° | 60.0° |
C47 | C48 | C49 | H493 | 54.8° | 180.0° |
C47 | C48 | C50 | C51 | 119.8° | 180.0° |
C47 | C48 | C50 | H501 | 5.4° | 60.0° |
C47 | C48 | C50 | H502 | 115.0° | 60.0° |
H471 | C47 | C48 | C49 | 97.6° | 180.0° |
H471 | C47 | C48 | C50 | 139.5° | 60.0° |
H471 | C47 | C48 | H48 | 19.6° | 60.0° |
H472 | C47 | C48 | C49 | 153.0° | 60.0° |
H472 | C47 | C48 | C50 | 30.0° | 60.0° |
H472 | C47 | C48 | H48 | 89.9° | 180.0° |
C49 | C48 | C50 | H48 | 117.3° | 120.0° |
C48 | C49 | H491 | H492 | 125.3° | 119.9° |
C48 | C49 | H491 | H493 | 125.3° | 120.0° |
C48 | C49 | H492 | H493 | 116.8° | 120.0° |
C49 | C48 | C50 | C51 | 115.5° | 60.0° |
C49 | C48 | C50 | H501 | 119.2° | 180.0° |
C49 | C48 | C50 | H502 | 9.7° | 60.0° |
C50 | C48 | C49 | H491 | 57.6° | 60.0° |
C50 | C48 | C49 | H492 | 67.7° | 180.0° |
C50 | C48 | C49 | H493 | 177.2° | 60.0° |
C48 | C50 | C51 | H501 | 125.3° | 120.0° |
C48 | C50 | C51 | H502 | 125.2° | 120.0° |
C48 | C50 | H501 | H502 | 116.2° | 120.0° |
C48 | C50 | C51 | C52 | 77.2° | NaN° |
C48 | C50 | C51 | H511 | 48.0° | 60.0° |
C48 | C50 | C51 | H512 | 157.6° | 60.0° |
H48 | C48 | C49 | H491 | 62.3° | 180.0° |
H48 | C48 | C49 | H492 | 172.5° | 60.0° |
H48 | C48 | C49 | H493 | 63.0° | 60.0° |
H48 | C48 | C50 | C51 | 1.8° | 59.9° |
H48 | C48 | C50 | H501 | 123.5° | 60.0° |
H48 | C48 | C50 | H502 | 127.0° | 180.0° |
H491 | C49 | H492 | H493 | 116.8° | 120.1° |
C51 | C50 | H501 | H502 | 116.2° | 120.0° |
C50 | C51 | C52 | H511 | 125.3° | 120.0° |
C50 | C51 | C52 | H512 | 125.3° | 120.1° |
C50 | C51 | H511 | H512 | 116.0° | 120.0° |
C50 | C51 | C52 | C53 | 168.1° | 180.0° |
C50 | C51 | C52 | H521 | 66.6° | 60.0° |
C50 | C51 | C52 | H522 | 42.8° | 60.0° |
H501 | C50 | C51 | C52 | 157.6° | 60.0° |
H501 | C50 | C51 | H511 | 77.2° | 180.0° |
H501 | C50 | C51 | H512 | 32.3° | 60.0° |
H502 | C50 | C51 | C52 | 48.0° | 60.0° |
H502 | C50 | C51 | H511 | 173.3° | 60.0° |
H502 | C50 | C51 | H512 | 77.2° | 180.0° |
C52 | C51 | H511 | H512 | 115.9° | 120.0° |
C51 | C52 | C53 | H521 | 125.3° | 120.0° |
C51 | C52 | C53 | H522 | 125.3° | 120.1° |
C51 | C52 | H521 | H522 | 114.8° | 120.1° |
C51 | C52 | C53 | C54 | 108.6° | 60.0° |
C51 | C52 | C53 | C55 | 123.5° | 180.0° |
C51 | C52 | C53 | H53 | 4.5° | 60.0° |
H511 | C51 | C52 | C53 | 42.8° | 60.0° |
H511 | C51 | C52 | H521 | 168.1° | 180.0° |
H511 | C51 | C52 | H522 | 82.4° | 60.0° |
H512 | C51 | C52 | C53 | 66.6° | 60.0° |
H512 | C51 | C52 | H521 | 58.6° | 60.0° |
H512 | C51 | C52 | H522 | 168.1° | 180.0° |
C53 | C52 | H521 | H522 | 114.7° | 119.9° |
C52 | C53 | C54 | C55 | 123.7° | 120.0° |
C52 | C53 | C54 | H53 | 118.3° | 120.0° |
C52 | C53 | C55 | H53 | 119.3° | 120.0° |
C52 | C53 | C54 | H541 | 180.0° | 60.0° |
C52 | C53 | C54 | H542 | 54.7° | 180.0° |
C52 | C53 | C54 | H543 | 54.8° | 60.0° |
C52 | C53 | C55 | C56 | 120.2° | 180.0° |
C52 | C53 | C55 | H551 | 5.0° | 60.0° |
C52 | C53 | C55 | H552 | 114.5° | 60.1° |
H521 | C52 | C53 | C54 | 16.7° | 60.0° |
H521 | C52 | C53 | C55 | 111.2° | 60.0° |
H521 | C52 | C53 | H53 | 129.8° | 180.0° |
H522 | C52 | C53 | C54 | 126.1° | 179.9° |
H522 | C52 | C53 | C55 | 1.8° | 60.0° |
H522 | C52 | C53 | H53 | 120.8° | 60.1° |
C54 | C53 | C55 | H53 | 113.0° | 120.0° |
C53 | C54 | H541 | H542 | 125.3° | 120.1° |
C53 | C54 | H541 | H543 | 125.2° | 120.0° |
C53 | C54 | H542 | H543 | 116.3° | 120.0° |
C54 | C53 | C55 | C56 | 7.5° | 60.0° |
C54 | C53 | C55 | H551 | 132.7° | 60.0° |
C54 | C53 | C55 | H552 | 117.7° | 179.9° |
C55 | C53 | C54 | H541 | 56.2° | 60.0° |
C55 | C53 | C54 | H542 | 178.4° | 60.0° |
C55 | C53 | C54 | H543 | 68.9° | 180.0° |
C53 | C55 | C56 | H551 | 125.2° | 120.0° |
C53 | C55 | C56 | H552 | 125.3° | 119.9° |
C53 | C55 | H551 | H552 | 114.0° | 120.0° |
C53 | C55 | C56 | C57 | 107.0° | 180.0° |
C53 | C55 | C56 | H561 | 18.2° | 60.0° |
C53 | C55 | C56 | H562 | 127.7° | 60.1° |
H53 | C53 | C54 | H541 | 61.7° | 180.0° |
H53 | C53 | C54 | H542 | 63.6° | 60.0° |
H53 | C53 | C54 | H543 | 173.1° | 60.0° |
H53 | C53 | C55 | C56 | 120.5° | 60.0° |
H53 | C53 | C55 | H551 | 114.3° | 180.0° |
H53 | C53 | C55 | H552 | 4.7° | 60.0° |
H541 | C54 | H542 | H543 | 116.2° | 119.9° |
C56 | C55 | H551 | H552 | 114.0° | 120.0° |
C55 | C56 | C57 | H561 | 125.3° | 120.0° |
C55 | C56 | C57 | H562 | 125.3° | 120.0° |
C55 | C56 | H561 | H562 | 115.4° | 120.0° |
C55 | C56 | C57 | C58 | 64.7° | 180.0° |
C55 | C56 | C57 | H571 | 170.0° | 60.0° |
C55 | C56 | C57 | H572 | 60.5° | 60.1° |
H551 | C55 | C56 | C57 | 127.8° | 60.0° |
H551 | C55 | C56 | H561 | 107.0° | 180.0° |
H551 | C55 | C56 | H562 | 2.5° | 60.0° |
H552 | C55 | C56 | C57 | 18.2° | 60.1° |
H552 | C55 | C56 | H561 | 143.5° | 60.0° |
H552 | C55 | C56 | H562 | 107.1° | 180.0° |
C57 | C56 | H561 | H562 | 115.4° | 120.0° |
C56 | C57 | C58 | H571 | 125.2° | 120.1° |
C56 | C57 | C58 | H572 | 125.3° | 120.0° |
C56 | C57 | H571 | H572 | 115.3° | 120.0° |
C56 | C57 | C58 | C59 | 71.6° | 180.0° |
C56 | C57 | C58 | C60 | 162.0° | 59.9° |
C56 | C57 | C58 | H58 | 43.5° | 60.0° |
H561 | C56 | C57 | C58 | 60.5° | 59.9° |
H561 | C56 | C57 | H571 | 64.7° | 180.0° |
H561 | C56 | C57 | H572 | 174.2° | 60.0° |
H562 | C56 | C57 | C58 | 170.0° | 60.1° |
H562 | C56 | C57 | H571 | 44.7° | 60.0° |
H562 | C56 | C57 | H572 | 64.8° | 180.0° |
C58 | C57 | H571 | H572 | 115.4° | 119.9° |
C57 | C58 | C59 | C60 | 126.8° | 120.1° |
C57 | C58 | C59 | H58 | 114.5° | 119.9° |
C57 | C58 | C60 | H58 | 115.2° | 120.0° |
C57 | C58 | C59 | H591 | 180.0° | 179.9° |
C57 | C58 | C59 | H592 | 54.7° | 59.9° |
C57 | C58 | C59 | H593 | 54.7° | 60.1° |
C57 | C58 | C60 | H601 | 179.9° | 60.1° |
C57 | C58 | C60 | H602 | 54.8° | 60.0° |
C57 | C58 | C60 | H603 | 54.7° | 180.0° |
H571 | C57 | C58 | C59 | 53.6° | 59.9° |
H571 | C57 | C58 | C60 | 72.7° | 180.0° |
H571 | C57 | C58 | H58 | 168.7° | 60.0° |
H572 | C57 | C58 | C59 | 163.1° | 60.0° |
H572 | C57 | C58 | C60 | 36.8° | 60.0° |
H572 | C57 | C58 | H58 | 81.8° | 180.0° |
C59 | C58 | C60 | H58 | 115.8° | 120.0° |
C58 | C59 | H591 | H592 | 125.3° | 120.0° |
C58 | C59 | H591 | H593 | 125.3° | 120.0° |
C58 | C59 | H592 | H593 | 116.0° | 120.0° |
C59 | C58 | C60 | H601 | 50.9° | 60.0° |
C59 | C58 | C60 | H602 | 74.2° | 180.0° |
C59 | C58 | C60 | H603 | 176.3° | 59.9° |
C60 | C58 | C59 | H591 | 53.2° | 60.0° |
C60 | C58 | C59 | H592 | 178.5° | 180.0° |
C60 | C58 | C59 | H593 | 72.1° | 60.0° |
C58 | C60 | H601 | H602 | 125.2° | 120.0° |
C58 | C60 | H601 | H603 | 125.3° | 119.9° |
C58 | C60 | H602 | H603 | 117.5° | 120.0° |
H58 | C58 | C59 | H591 | 65.4° | 60.0° |
H58 | C58 | C59 | H592 | 59.8° | 60.0° |
H58 | C58 | C59 | H593 | 169.3° | 180.0° |
H58 | C58 | C60 | H601 | 64.9° | 179.9° |
H58 | C58 | C60 | H602 | 170.0° | 60.0° |
H58 | C58 | C60 | H603 | 60.5° | 60.0° |
H591 | C59 | H592 | H593 | 115.9° | 120.0° |
H601 | C60 | H602 | H603 | 117.6° | 120.0° |
O3 | P1 | O4 | O5 | 122.7° | 120.0° |
O3 | P1 | O4 | O6 | 111.5° | 120.0° |
O3 | P1 | O5 | O6 | 110.6° | 120.0° |
O3 | P1 | O5 | HO5 | 180.0° | 60.0° |
O4 | P1 | O5 | O6 | 126.1° | 120.0° |
O4 | P1 | O5 | HO5 | 56.8° | 180.0° |
HO5 | O5 | P1 | O6 | 69.3° | 60.0° |
O8 | P2 | O9 | O10 | 119.4° | 120.0° |
O8 | P2 | O9 | O11 | 119.2° | 120.1° |
O8 | P2 | O10 | O11 | 118.6° | 120.0° |
O8 | P2 | O10 | HOA | 180.0° | 59.9° |
O8 | P2 | O11 | CM | 167.0° | 180.0° |
O9 | P2 | O10 | O11 | 121.0° | 120.0° |
O9 | P2 | O10 | HOA | 59.5° | 179.9° |
O9 | P2 | O11 | CM | 47.5° | 59.9° |
O10 | P2 | O11 | CM | 75.4° | 60.0° |
HOA | O10 | P2 | O11 | 61.5° | 60.1° |
P2 | O11 | CM | HM1 | 180.0° | 180.0° |
P2 | O11 | CM | HM2 | 54.7° | 60.0° |
P2 | O11 | CM | HM3 | 54.7° | 60.0° |
O11 | CM | HM1 | HM2 | 125.2° | 120.0° |
O11 | CM | HM1 | HM3 | 125.3° | 120.0° |
O11 | CM | HM2 | HM3 | 112.5° | 120.0° |
HM1 | CM | HM2 | HM3 | 112.6° | 120.0° |