FKP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O2 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | C10 | sing | 1.54Å | 1.55Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C2 | C3 | sing | 1.52Å | 1.56Å | |
C2 | H21 | sing | 1.10Å | 1.11Å | |
C2 | H22 | sing | 1.08Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.10Å | 1.11Å | |
C4 | C5 | sing | 1.51Å | 1.57Å | |
C4 | C18 | sing | 1.55Å | 1.53Å | |
C4 | C19 | sing | 1.53Å | 1.53Å | |
C5 | C6 | sing | 1.52Å | 1.58Å | |
C5 | C10 | sing | 1.53Å | 1.62Å | |
C5 | H5 | sing | 1.13Å | 1.12Å | |
C6 | O3 | sing | 1.42Å | 1.43Å | |
C6 | C7 | sing | 1.53Å | 1.56Å | |
C6 | H6 | sing | 1.11Å | 1.11Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C7 | O4 | sing | 1.45Å | 1.43Å | |
C7 | C8 | sing | 1.53Å | 1.55Å | |
C7 | H7 | sing | 1.10Å | 1.11Å | |
O4 | C21 | sing | 1.34Å | 1.34Å | |
C8 | O1 | sing | 1.42Å | 1.44Å | |
C8 | C9 | sing | 1.53Å | 1.54Å | |
C8 | C17 | sing | 1.53Å | 1.55Å | |
O1 | C13 | sing | 1.40Å | 1.43Å | |
C9 | O6 | sing | 1.45Å | 1.44Å | |
C9 | C10 | sing | 1.52Å | 1.60Å | |
C9 | C11 | sing | 1.51Å | 1.55Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C10 | C20 | sing | 1.53Å | 1.55Å | |
C11 | O7 | doub | 1.20Å | 1.22Å | |
C11 | C12 | sing | 1.52Å | 1.55Å | |
C12 | C13 | sing | 1.52Å | 1.56Å | |
C12 | H121 | sing | 1.10Å | 1.12Å | |
C12 | H122 | sing | 1.09Å | 1.12Å | |
C13 | C14 | sing | 1.53Å | 1.50Å | |
C13 | C16 | sing | 1.54Å | 1.53Å | |
C14 | C15 | doub | 1.31Å | 1.33Å | |
C14 | H14 | sing | 1.08Å | 1.10Å | |
C15 | H151 | sing | 1.08Å | 1.10Å | |
C15 | H152 | sing | 1.08Å | 1.10Å | |
C16 | H161 | sing | 1.09Å | 1.12Å | |
C16 | H162 | sing | 1.09Å | 1.12Å | |
C16 | H163 | sing | 1.09Å | 1.12Å | |
C17 | H171 | sing | 1.09Å | 1.12Å | |
C17 | H172 | sing | 1.09Å | 1.11Å | |
C17 | H173 | sing | 1.09Å | 1.12Å | |
C18 | H181 | sing | 1.09Å | 1.12Å | |
C18 | H182 | sing | 1.09Å | 1.11Å | |
C18 | H183 | 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 | H201 | sing | 1.09Å | 1.12Å | |
C20 | H202 | sing | 1.09Å | 1.12Å | |
C20 | H203 | sing | 1.09Å | 1.11Å | |
C21 | O5 | doub | 1.21Å | 1.21Å | |
C21 | C22 | sing | 1.51Å | 1.54Å | |
C22 | C23 | sing | 1.53Å | 1.58Å | |
C22 | H221 | sing | 1.09Å | 1.11Å | |
C22 | H222 | sing | 1.09Å | 1.12Å | |
C23 | C24 | sing | 1.53Å | 1.57Å | |
C23 | H231 | sing | 1.09Å | 1.12Å | |
C23 | H232 | sing | 1.09Å | 1.12Å | |
C24 | C25 | sing | 1.53Å | 1.57Å | |
C24 | H241 | sing | 1.09Å | 1.12Å | |
C24 | H242 | sing | 1.09Å | 1.11Å | |
C25 | N1 | sing | 1.47Å | 1.50Å | |
C25 | H251 | sing | 1.09Å | 1.11Å | |
C25 | H252 | sing | 1.09Å | 1.12Å | |
N1 | C26 | sing | 1.47Å | 1.49Å | |
N1 | C29 | sing | 1.47Å | 1.51Å | |
C26 | C27 | sing | 1.53Å | 1.56Å | |
C26 | H261 | sing | 1.09Å | 1.11Å | |
C26 | H262 | sing | 1.09Å | 1.12Å | |
C27 | N2 | sing | 1.47Å | 1.47Å | |
C27 | H271 | sing | 1.09Å | 1.12Å | |
C27 | H272 | sing | 1.09Å | 1.12Å | |
N2 | C28 | sing | 1.47Å | 1.49Å | |
N2 | C30 | sing | 1.47Å | 1.47Å | |
C28 | C29 | sing | 1.53Å | 1.57Å | |
C28 | H281 | sing | 1.09Å | 1.11Å | |
C28 | H282 | sing | 1.09Å | 1.11Å | |
C29 | H291 | sing | 1.09Å | 1.12Å | |
C29 | H292 | sing | 1.09Å | 1.11Å | |
C30 | H301 | sing | 1.09Å | 1.11Å | |
C30 | H302 | sing | 1.09Å | 1.12Å | |
C30 | H303 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C1 | C2 | 108.4° | 108.3° |
O2 | C1 | C10 | 108.9° | 110.7° |
O2 | C1 | H1 | 111.0° | 109.7° |
C1 | O2 | HO2 | 108.4° | 106.8° |
C2 | C1 | C10 | 110.9° | 109.4° |
C2 | C1 | H1 | 109.0° | 109.6° |
C1 | C2 | C3 | 111.0° | 109.5° |
C1 | C2 | H21 | 111.6° | 108.1° |
C1 | C2 | H22 | 111.6° | 111.8° |
C10 | C1 | H1 | 108.6° | 109.2° |
C1 | C10 | C5 | 108.5° | 109.0° |
C1 | C10 | C9 | 113.7° | 109.2° |
C1 | C10 | C20 | 106.2° | 106.8° |
C3 | C2 | H21 | 111.7° | 108.6° |
C3 | C2 | H22 | 111.6° | 111.2° |
C2 | C3 | C4 | 109.7° | 111.8° |
C2 | C3 | H31 | 112.2° | 109.5° |
C2 | C3 | H32 | 112.1° | 109.1° |
H21 | C2 | H22 | 98.8° | 107.5° |
C4 | C3 | H31 | 112.1° | 109.3° |
C4 | C3 | H32 | 112.1° | 108.8° |
C3 | C4 | C5 | 108.4° | 112.4° |
C3 | C4 | C18 | 105.2° | 105.9° |
C3 | C4 | C19 | 103.9° | 109.1° |
H31 | C3 | H32 | 98.3° | 108.3° |
C5 | C4 | C18 | 111.4° | 108.1° |
C5 | C4 | C19 | 120.9° | 113.8° |
C4 | C5 | C6 | 110.0° | 113.9° |
C4 | C5 | C10 | 111.6° | 116.1° |
C4 | C5 | H5 | 108.3° | 104.7° |
C18 | C4 | C19 | 105.8° | 107.1° |
C4 | C18 | H181 | 105.1° | 109.4° |
C4 | C18 | H182 | 113.8° | 109.5° |
C4 | C18 | H183 | 113.8° | 109.5° |
C4 | C19 | H191 | 103.9° | 109.5° |
C4 | C19 | H192 | 114.3° | 109.5° |
C4 | C19 | H193 | 114.4° | 109.5° |
C6 | C5 | C10 | 111.3° | 111.7° |
C6 | C5 | H5 | 108.6° | 104.4° |
C5 | C6 | O3 | 114.6° | 113.6° |
C5 | C6 | C7 | 106.8° | 110.6° |
C5 | C6 | H6 | 108.2° | 108.6° |
C10 | C5 | H5 | 106.9° | 104.5° |
C5 | C10 | C9 | 106.1° | 108.4° |
C5 | C10 | C20 | 111.7° | 111.8° |
O3 | C6 | C7 | 110.4° | 110.3° |
O3 | C6 | H6 | 104.5° | 107.0° |
C6 | O3 | HO3 | 114.5° | 106.8° |
C7 | C6 | H6 | 112.5° | 106.4° |
C6 | C7 | O4 | 109.1° | 109.2° |
C6 | C7 | C8 | 115.4° | 112.6° |
C6 | C7 | H7 | 104.7° | 109.0° |
O4 | C7 | C8 | 106.3° | 109.0° |
O4 | C7 | H7 | 114.0° | 108.4° |
C7 | O4 | C21 | 115.8° | 120.1° |
C8 | C7 | H7 | 107.6° | 108.6° |
C7 | C8 | O1 | 106.7° | 107.9° |
C7 | C8 | C9 | 105.9° | 110.2° |
C7 | C8 | C17 | 107.4° | 109.1° |
O4 | C21 | O5 | 121.0° | 119.9° |
O4 | C21 | C22 | 115.6° | 120.1° |
O1 | C8 | C9 | 111.1° | 108.1° |
O1 | C8 | C17 | 107.8° | 108.4° |
C8 | O1 | C13 | 121.5° | 119.9° |
C9 | C8 | C17 | 117.4° | 113.0° |
C8 | C9 | O6 | 106.6° | 106.0° |
C8 | C9 | C10 | 114.1° | 115.3° |
C8 | C9 | C11 | 105.9° | 105.8° |
C8 | C17 | H171 | 107.4° | 109.6° |
C8 | C17 | H172 | 113.0° | 109.5° |
C8 | C17 | H173 | 113.0° | 109.5° |
O1 | C13 | C12 | 113.7° | 118.2° |
O1 | C13 | C14 | 108.1° | 106.6° |
O1 | C13 | C16 | 110.2° | 111.2° |
O6 | C9 | C10 | 108.7° | 108.6° |
O6 | C9 | C11 | 108.6° | 106.8° |
C9 | O6 | HO6 | 106.6° | 106.9° |
C10 | C9 | C11 | 112.6° | 113.7° |
C9 | C10 | C20 | 110.7° | 111.7° |
C9 | C11 | O7 | 121.4° | 124.6° |
C9 | C11 | C12 | 119.4° | 114.1° |
C10 | C20 | H201 | 106.2° | 109.4° |
C10 | C20 | H202 | 113.4° | 109.5° |
C10 | C20 | H203 | 113.4° | 109.4° |
O7 | C11 | C12 | 119.2° | 121.2° |
C11 | C12 | C13 | 117.5° | 111.8° |
C11 | C12 | H121 | 109.4° | 108.9° |
C11 | C12 | H122 | 109.3° | 109.0° |
C13 | C12 | H121 | 109.3° | 109.4° |
C13 | C12 | H122 | 109.3° | 109.7° |
C12 | C13 | C14 | 108.1° | 106.0° |
C12 | C13 | C16 | 110.3° | 108.7° |
H121 | C12 | H122 | 100.8° | 107.9° |
C14 | C13 | C16 | 106.2° | 105.3° |
C13 | C14 | C15 | 122.0° | 120.0° |
C13 | C14 | H14 | 125.0° | 120.0° |
C13 | C16 | H161 | 110.3° | 109.4° |
C13 | C16 | H162 | 112.0° | 109.5° |
C13 | C16 | H163 | 111.9° | 109.5° |
C15 | C14 | H14 | 113.1° | 120.0° |
C14 | C15 | H151 | 113.0° | 120.0° |
C14 | C15 | H152 | 121.9° | 120.0° |
H151 | C15 | H152 | 125.0° | 120.0° |
H161 | C16 | H162 | 111.9° | 109.5° |
H161 | C16 | H163 | 111.9° | 109.4° |
H162 | C16 | H163 | 98.5° | 109.4° |
H171 | C17 | H172 | 113.0° | 109.5° |
H171 | C17 | H173 | 112.9° | 109.4° |
H172 | C17 | H173 | 97.5° | 109.4° |
H181 | C18 | H182 | 113.9° | 109.5° |
H181 | C18 | H183 | 113.8° | 109.4° |
H182 | C18 | H183 | 96.7° | 109.5° |
H191 | C19 | H192 | 114.3° | 109.4° |
H191 | C19 | H193 | 114.3° | 109.5° |
H192 | C19 | H193 | 96.2° | 109.4° |
H201 | C20 | H202 | 113.3° | 109.5° |
H201 | C20 | H203 | 113.5° | 109.5° |
H202 | C20 | H203 | 97.0° | 109.5° |
O5 | C21 | C22 | 123.4° | 120.0° |
C21 | C22 | C23 | 117.9° | 109.5° |
C21 | C22 | H221 | 109.2° | 109.5° |
C21 | C22 | H222 | 109.2° | 109.5° |
C23 | C22 | H221 | 109.2° | 109.5° |
C23 | C22 | H222 | 109.2° | 109.4° |
C22 | C23 | C24 | 114.0° | 109.5° |
C22 | C23 | H231 | 110.5° | 109.4° |
C22 | C23 | H232 | 110.5° | 109.5° |
H221 | C22 | H222 | 100.9° | 109.4° |
C24 | C23 | H231 | 110.6° | 109.4° |
C24 | C23 | H232 | 110.6° | 109.5° |
C23 | C24 | C25 | 114.9° | 109.5° |
C23 | C24 | H241 | 110.2° | 109.5° |
C23 | C24 | H242 | 110.2° | 109.5° |
H231 | C23 | H232 | 99.8° | 109.4° |
C25 | C24 | H241 | 110.3° | 109.5° |
C25 | C24 | H242 | 110.2° | 109.4° |
C24 | C25 | N1 | 113.9° | 109.5° |
C24 | C25 | H251 | 110.6° | 109.5° |
C24 | C25 | H252 | 110.6° | 109.5° |
H241 | C24 | H242 | 100.0° | 109.4° |
N1 | C25 | H251 | 110.6° | 109.5° |
N1 | C25 | H252 | 110.6° | 109.5° |
C25 | N1 | C26 | 106.8° | 106.7° |
C25 | N1 | C29 | 112.1° | 106.7° |
H251 | C25 | H252 | 99.7° | 109.5° |
C26 | N1 | C29 | 111.1° | 106.9° |
N1 | C26 | C27 | 112.2° | 109.7° |
N1 | C26 | H261 | 111.2° | 109.4° |
N1 | C26 | H262 | 111.2° | 109.4° |
N1 | C29 | C28 | 112.8° | 109.7° |
N1 | C29 | H291 | 110.9° | 109.4° |
N1 | C29 | H292 | 110.9° | 109.4° |
C27 | C26 | H261 | 111.3° | 109.5° |
C27 | C26 | H262 | 111.2° | 109.4° |
C26 | C27 | N2 | 111.4° | 109.7° |
C26 | C27 | H271 | 111.5° | 109.4° |
C26 | C27 | H272 | 111.5° | 109.4° |
H261 | C26 | H262 | 99.1° | 109.4° |
N2 | C27 | H271 | 111.5° | 109.4° |
N2 | C27 | H272 | 111.5° | 109.5° |
C27 | N2 | C28 | 107.9° | 106.9° |
C27 | N2 | C30 | 107.4° | 106.7° |
H271 | C27 | H272 | 98.9° | 109.3° |
C28 | N2 | C30 | 113.4° | 106.7° |
N2 | C28 | C29 | 112.3° | 109.6° |
N2 | C28 | H281 | 111.2° | 109.5° |
N2 | C28 | H282 | 111.2° | 109.4° |
N2 | C30 | H301 | 107.4° | 109.5° |
N2 | C30 | H302 | 113.0° | 109.5° |
N2 | C30 | H303 | 113.0° | 109.5° |
C29 | C28 | H281 | 111.2° | 109.4° |
C29 | C28 | H282 | 111.1° | 109.4° |
C28 | C29 | H291 | 111.0° | 109.4° |
C28 | C29 | H292 | 111.0° | 109.4° |
H281 | C28 | H282 | 99.2° | 109.4° |
H291 | C29 | H292 | 99.4° | 109.4° |
H301 | C30 | H302 | 113.0° | 109.5° |
H301 | C30 | H303 | 113.1° | 109.4° |
H302 | C30 | H303 | 97.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C1 | C2 | C10 | 119.5° | 120.7° |
O2 | C1 | C2 | H1 | 121.0° | 119.6° |
O2 | C1 | C10 | H1 | 121.0° | 120.8° |
O2 | C1 | C2 | C3 | 60.2° | 56.8° |
O2 | C1 | C2 | H21 | 174.5° | 61.3° |
O2 | C1 | C2 | H22 | 65.0° | 179.5° |
O2 | C1 | C10 | C5 | 63.7° | 60.4° |
O2 | C1 | C10 | C9 | 54.1° | 57.8° |
O2 | C1 | C10 | C20 | 176.1° | 178.7° |
C2 | C1 | C10 | H1 | 119.8° | 119.9° |
C2 | C1 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | H21 | 125.2° | 117.8° |
C1 | C2 | C3 | H22 | 125.2° | 124.0° |
C1 | C2 | H21 | H22 | 117.5° | 120.8° |
C1 | C2 | C3 | C4 | 61.0° | 58.2° |
C1 | C2 | C3 | H31 | 173.8° | 63.1° |
C1 | C2 | C3 | H32 | 64.3° | 178.5° |
C2 | C1 | C10 | C5 | 55.5° | 58.8° |
C2 | C1 | C10 | C9 | 173.3° | 177.0° |
C2 | C1 | C10 | C20 | 64.7° | 62.0° |
C10 | C1 | O2 | HO2 | 59.3° | 179.9° |
C10 | C1 | C2 | C3 | 59.2° | 63.9° |
C10 | C1 | C2 | H21 | 66.0° | 177.9° |
C10 | C1 | C2 | H22 | 175.5° | 59.8° |
C1 | C10 | C5 | C4 | 56.8° | 50.9° |
C1 | C10 | C5 | C6 | 179.9° | 176.1° |
C1 | C10 | C5 | C9 | 122.5° | 118.7° |
C1 | C10 | C5 | C20 | 116.7° | 117.8° |
C1 | C10 | C5 | H5 | 61.5° | 63.8° |
C1 | C10 | C9 | C8 | 178.9° | 173.5° |
C1 | C10 | C9 | O6 | 60.1° | 54.7° |
C1 | C10 | C9 | C20 | 119.5° | 117.9° |
C1 | C10 | C9 | C11 | 60.3° | 64.0° |
C1 | C10 | C20 | H201 | 179.9° | 50.3° |
C1 | C10 | C20 | H202 | 54.8° | 170.4° |
C1 | C10 | C20 | H203 | 54.7° | 69.7° |
H1 | C1 | O2 | HO2 | 60.2° | 59.6° |
H1 | C1 | C2 | C3 | 178.8° | 176.4° |
H1 | C1 | C2 | H21 | 53.5° | 58.3° |
H1 | C1 | C2 | H22 | 56.0° | 59.9° |
H1 | C1 | C10 | C5 | 175.3° | 178.8° |
H1 | C1 | C10 | C9 | 66.9° | 63.1° |
H1 | C1 | C10 | C20 | 55.1° | 57.9° |
C3 | C2 | H21 | H22 | 117.6° | 120.4° |
C2 | C3 | C4 | H31 | 125.3° | 121.3° |
C2 | C3 | C4 | H32 | 125.2° | 120.5° |
C2 | C3 | H31 | H32 | 118.1° | 118.8° |
C2 | C3 | C4 | C5 | 60.1° | 48.4° |
C2 | C3 | C4 | C18 | 179.4° | 166.2° |
C2 | C3 | C4 | C19 | 69.6° | 78.8° |
H21 | C2 | C3 | C4 | 64.3° | 176.0° |
H21 | C2 | C3 | H31 | 61.0° | 54.7° |
H21 | C2 | C3 | H32 | 170.5° | 63.6° |
H22 | C2 | C3 | C4 | 173.8° | 65.9° |
H22 | C2 | C3 | H31 | 48.6° | 172.9° |
H22 | C2 | C3 | H32 | 61.0° | 54.5° |
C4 | C3 | H31 | H32 | 118.0° | 118.4° |
C3 | C4 | C5 | C18 | 115.3° | 116.5° |
C3 | C4 | C5 | C19 | 119.6° | 124.6° |
C3 | C4 | C18 | C19 | 109.6° | 116.3° |
C3 | C4 | C5 | C6 | 176.9° | 177.8° |
C3 | C4 | C5 | C10 | 59.0° | 45.9° |
C3 | C4 | C5 | H5 | 58.4° | 68.7° |
C3 | C4 | C18 | H181 | 180.0° | 59.4° |
C3 | C4 | C18 | H182 | 54.8° | 60.7° |
C3 | C4 | C18 | H183 | 54.8° | 179.3° |
C3 | C4 | C19 | H191 | 180.0° | 48.6° |
C3 | C4 | C19 | H192 | 54.8° | 168.5° |
C3 | C4 | C19 | H193 | 54.7° | 71.5° |
H31 | C3 | C4 | C5 | 174.6° | 73.0° |
H31 | C3 | C4 | C18 | 55.3° | 44.9° |
H31 | C3 | C4 | C19 | 55.6° | 159.8° |
H32 | C3 | C4 | C5 | 65.1° | 168.9° |
H32 | C3 | C4 | C18 | 54.2° | 73.2° |
H32 | C3 | C4 | C19 | 165.1° | 41.7° |
C5 | C4 | C18 | C19 | 133.1° | 123.0° |
C4 | C5 | C6 | C10 | 124.3° | 134.0° |
C4 | C5 | C6 | H5 | 118.3° | 113.6° |
C4 | C5 | C10 | H5 | 118.2° | 114.7° |
C4 | C5 | C6 | O3 | 59.0° | 68.1° |
C4 | C5 | C6 | C7 | 178.4° | 167.3° |
C4 | C5 | C6 | H6 | 57.1° | 50.8° |
C4 | C5 | C10 | C9 | 179.3° | 169.6° |
C4 | C5 | C10 | C20 | 60.0° | 66.8° |
C5 | C4 | C18 | H181 | 62.7° | 180.0° |
C5 | C4 | C18 | H182 | 172.0° | 60.0° |
C5 | C4 | C18 | H183 | 62.5° | 60.1° |
C5 | C4 | C19 | H191 | 58.2° | 174.9° |
C5 | C4 | C19 | H192 | 67.0° | 65.1° |
C5 | C4 | C19 | H193 | 176.5° | 54.9° |
C18 | C4 | C5 | C6 | 61.6° | 65.6° |
C18 | C4 | C5 | C10 | 174.3° | 162.4° |
C18 | C4 | C5 | H5 | 56.9° | 47.8° |
C4 | C18 | H181 | H182 | 125.3° | 120.0° |
C4 | C18 | H181 | H183 | 125.2° | 120.0° |
C4 | C18 | H182 | H183 | 119.8° | 120.1° |
C18 | C4 | C19 | H191 | 69.6° | 65.6° |
C18 | C4 | C19 | H192 | 165.3° | 54.3° |
C18 | C4 | C19 | H193 | 55.8° | 174.3° |
C19 | C4 | C5 | C6 | 63.5° | 53.2° |
C19 | C4 | C5 | C10 | 60.6° | 78.7° |
C19 | C4 | C5 | H5 | 178.0° | 166.7° |
C19 | C4 | C18 | H181 | 70.4° | 57.0° |
C19 | C4 | C18 | H182 | 54.8° | 177.0° |
C19 | C4 | C18 | H183 | 164.4° | 63.0° |
C4 | C19 | H191 | H192 | 125.2° | 120.0° |
C4 | C19 | H191 | H193 | 125.3° | 120.1° |
C4 | C19 | H192 | H193 | 120.3° | 120.0° |
C6 | C5 | C10 | H5 | 118.4° | 112.3° |
C5 | C6 | O3 | C7 | 120.6° | 124.8° |
C5 | C6 | O3 | H6 | 118.2° | 119.8° |
C5 | C6 | C7 | H6 | 118.6° | 117.8° |
C5 | C6 | O3 | HO3 | 180.0° | 175.2° |
C5 | C6 | C7 | O4 | 179.4° | 176.0° |
C5 | C6 | C7 | C8 | 59.8° | 54.8° |
C5 | C6 | C7 | H7 | 58.2° | 65.7° |
C6 | C5 | C10 | C9 | 57.4° | 57.4° |
C6 | C5 | C10 | C20 | 63.4° | 66.2° |
C10 | C5 | C6 | O3 | 65.3° | 65.9° |
C10 | C5 | C6 | C7 | 57.3° | 58.7° |
C10 | C5 | C6 | H6 | 178.6° | 175.2° |
C5 | C10 | C9 | C8 | 59.8° | 54.9° |
C5 | C10 | C9 | O6 | 59.1° | 63.9° |
C5 | C10 | C9 | C20 | 121.4° | 123.6° |
C5 | C10 | C9 | C11 | 179.4° | 177.4° |
C5 | C10 | C20 | H201 | 61.9° | 68.8° |
C5 | C10 | C20 | H202 | 172.9° | 51.3° |
C5 | C10 | C20 | H203 | 63.4° | 171.3° |
H5 | C5 | C6 | O3 | 177.3° | 178.3° |
H5 | C5 | C6 | C7 | 60.1° | 53.6° |
H5 | C5 | C6 | H6 | 61.2° | 62.8° |
H5 | C5 | C10 | C9 | 61.0° | 54.9° |
H5 | C5 | C10 | C20 | 178.2° | 178.5° |
O3 | C6 | C7 | H6 | 116.3° | 115.7° |
O3 | C6 | C7 | O4 | 54.2° | 49.5° |
O3 | C6 | C7 | C8 | 65.3° | 71.6° |
O3 | C6 | C7 | H7 | 176.6° | 167.9° |
C7 | C6 | O3 | HO3 | 59.3° | 60.0° |
C6 | C7 | O4 | C8 | 125.0° | 123.4° |
C6 | C7 | O4 | H7 | 116.6° | 118.7° |
C6 | C7 | C8 | H7 | 116.4° | 120.8° |
C6 | C7 | O4 | C21 | 59.9° | 88.7° |
C6 | C7 | C8 | O1 | 178.2° | 168.1° |
C6 | C7 | C8 | C9 | 59.8° | 50.3° |
C6 | C7 | C8 | C17 | 66.4° | 74.3° |
H6 | C6 | O3 | HO3 | 61.9° | 55.4° |
H6 | C6 | C7 | O4 | 62.0° | 66.2° |
H6 | C6 | C7 | C8 | 178.4° | 172.6° |
H6 | C6 | C7 | H7 | 60.4° | 52.1° |
O4 | C7 | C8 | H7 | 122.5° | 117.9° |
O4 | C7 | C8 | O1 | 60.7° | 70.5° |
O4 | C7 | C8 | C9 | 179.1° | 171.7° |
O4 | C7 | C8 | C17 | 54.7° | 47.0° |
C7 | O4 | C21 | O5 | 53.4° | 0.0° |
C7 | O4 | C21 | C22 | 126.8° | 180.0° |
C8 | C7 | O4 | C21 | 175.1° | 147.9° |
C7 | C8 | O1 | C9 | 115.0° | 119.1° |
C7 | C8 | O1 | C17 | 115.1° | 118.0° |
C7 | C8 | C9 | C17 | 119.8° | 122.3° |
C7 | C8 | O1 | C13 | 173.5° | 173.1° |
C7 | C8 | C9 | O6 | 60.5° | 68.4° |
C7 | C8 | C9 | C10 | 59.5° | 51.8° |
C7 | C8 | C9 | C11 | 176.0° | 178.4° |
C7 | C8 | C17 | H171 | 180.0° | 66.8° |
C7 | C8 | C17 | H172 | 54.7° | 173.1° |
C7 | C8 | C17 | H173 | 54.8° | 53.2° |
H7 | C7 | O4 | C21 | 56.8° | 30.0° |
H7 | C7 | C8 | O1 | 61.8° | 47.4° |
H7 | C7 | C8 | C9 | 56.6° | 70.4° |
H7 | C7 | C8 | C17 | 177.2° | 164.9° |
O4 | C21 | O5 | C22 | 179.7° | 180.0° |
O4 | C21 | C22 | C23 | 72.5° | 180.0° |
O4 | C21 | C22 | H221 | 162.2° | 59.9° |
O4 | C21 | C22 | H222 | 52.8° | 60.0° |
O1 | C8 | C9 | C17 | 124.7° | 120.0° |
O1 | C8 | C9 | O6 | 55.0° | 49.3° |
O1 | C8 | C9 | C10 | 175.0° | 169.4° |
O1 | C8 | C9 | C11 | 60.5° | 64.0° |
C8 | O1 | C13 | C12 | 17.5° | 34.1° |
C8 | O1 | C13 | C14 | 137.4° | 153.2° |
C8 | O1 | C13 | C16 | 106.9° | 92.6° |
O1 | C8 | C17 | H171 | 65.3° | 50.4° |
O1 | C8 | C17 | H172 | 169.4° | 69.6° |
O1 | C8 | C17 | H173 | 59.9° | 170.4° |
C9 | C8 | O1 | C13 | 58.4° | 53.9° |
C8 | C9 | O6 | C10 | 123.5° | 124.5° |
C8 | C9 | O6 | C11 | 113.7° | 112.6° |
C8 | C9 | C10 | C11 | 120.9° | 122.5° |
C8 | C9 | O6 | HO6 | 179.9° | 55.6° |
C8 | C9 | C10 | C20 | 61.7° | 68.6° |
C8 | C9 | C11 | O7 | 149.0° | 120.9° |
C8 | C9 | C11 | C12 | 30.7° | 60.1° |
C9 | C8 | C17 | H171 | 61.0° | 170.2° |
C9 | C8 | C17 | H172 | 64.3° | 50.2° |
C9 | C8 | C17 | H173 | 173.8° | 69.8° |
C17 | C8 | O1 | C13 | 71.4° | 69.0° |
C17 | C8 | C9 | O6 | 179.7° | 169.3° |
C17 | C8 | C9 | C10 | 60.3° | 70.6° |
C17 | C8 | C9 | C11 | 64.2° | 56.0° |
C8 | C17 | H171 | H172 | 125.3° | 120.1° |
C8 | C17 | H171 | H173 | 125.2° | 120.0° |
C8 | C17 | H172 | H173 | 118.9° | 120.0° |
O1 | C13 | C12 | C11 | 14.2° | 24.8° |
O1 | C13 | C12 | C14 | 120.0° | 119.4° |
O1 | C13 | C12 | C16 | 124.4° | 127.9° |
O1 | C13 | C12 | H121 | 139.5° | 95.9° |
O1 | C13 | C12 | H122 | 111.1° | 145.9° |
O1 | C13 | C14 | C16 | 118.3° | 118.2° |
O1 | C13 | C14 | C15 | 28.8° | 6.7° |
O1 | C13 | C14 | H14 | 151.1° | 173.2° |
O1 | C13 | C16 | H161 | 180.0° | 48.2° |
O1 | C13 | C16 | H162 | 54.8° | 168.3° |
O1 | C13 | C16 | H163 | 54.7° | 71.8° |
O6 | C9 | C10 | C11 | 120.3° | 118.7° |
O6 | C9 | C10 | C20 | 179.5° | 172.6° |
O6 | C9 | C11 | O7 | 96.9° | 126.4° |
O6 | C9 | C11 | C12 | 83.5° | 52.6° |
C10 | C9 | O6 | HO6 | 56.6° | 180.0° |
C10 | C9 | C11 | O7 | 23.5° | 6.6° |
C10 | C9 | C11 | C12 | 156.1° | 172.3° |
C9 | C10 | C20 | H201 | 56.1° | 169.6° |
C9 | C10 | C20 | H202 | 69.1° | 70.3° |
C9 | C10 | C20 | H203 | 178.6° | 49.6° |
C11 | C9 | O6 | HO6 | 66.2° | 57.0° |
C11 | C9 | C10 | C20 | 59.2° | 53.8° |
C9 | C11 | O7 | C12 | 179.7° | 178.9° |
C9 | C11 | C12 | C13 | 5.1° | 40.1° |
C9 | C11 | C12 | H121 | 130.4° | 81.0° |
C9 | C11 | C12 | H122 | 120.1° | 161.6° |
C10 | C20 | H201 | H202 | 125.2° | 120.0° |
C10 | C20 | H201 | H203 | 125.3° | 119.9° |
C10 | C20 | H202 | H203 | 119.4° | 120.0° |
O7 | C11 | C12 | C13 | 175.2° | 140.9° |
O7 | C11 | C12 | H121 | 49.9° | 98.1° |
O7 | C11 | C12 | H122 | 59.5° | 19.4° |
C11 | C12 | C13 | H121 | 125.3° | 120.7° |
C11 | C12 | C13 | H122 | 125.3° | 121.1° |
C11 | C12 | H121 | H122 | 115.1° | 118.2° |
C11 | C12 | C13 | C14 | 105.8° | 144.2° |
C11 | C12 | C13 | C16 | 138.6° | 103.1° |
C13 | C12 | H121 | H122 | 115.0° | 119.4° |
C12 | C13 | C14 | C16 | 118.3° | 115.0° |
C12 | C13 | C14 | C15 | 94.6° | 120.0° |
C12 | C13 | C14 | H14 | 85.4° | 60.0° |
C12 | C13 | C16 | H161 | 53.7° | 180.0° |
C12 | C13 | C16 | H162 | 71.6° | 60.0° |
C12 | C13 | C16 | H163 | 178.9° | 60.0° |
H121 | C12 | C13 | C14 | 19.6° | 23.5° |
H121 | C12 | C13 | C16 | 96.1° | 136.2° |
H122 | C12 | C13 | C14 | 129.0° | 94.7° |
H122 | C12 | C13 | C16 | 13.3° | 18.0° |
C13 | C14 | C15 | H14 | 180.0° | 179.9° |
C13 | C14 | C15 | H151 | 0.0° | 180.0° |
C13 | C14 | C15 | H152 | 180.0° | 0.0° |
C14 | C13 | C16 | H161 | 63.1° | 66.8° |
C14 | C13 | C16 | H162 | 171.6° | 53.3° |
C14 | C13 | C16 | H163 | 62.1° | 173.2° |
C16 | C13 | C14 | C15 | 147.1° | 124.9° |
C16 | C13 | C14 | H14 | 32.9° | 55.0° |
C13 | C16 | H161 | H162 | 125.3° | 120.1° |
C13 | C16 | H161 | H163 | 125.3° | 120.0° |
C13 | C16 | H162 | H163 | 117.9° | 120.0° |
C14 | C15 | H151 | H152 | 179.9° | 180.0° |
H14 | C14 | C15 | H151 | 179.9° | 0.0° |
H14 | C14 | C15 | H152 | 0.0° | 180.0° |
H161 | C16 | H162 | H163 | 117.8° | 120.0° |
H171 | C17 | H172 | H173 | 118.9° | 119.9° |
H181 | C18 | H182 | H183 | 119.7° | 120.0° |
H191 | C19 | H192 | H193 | 120.2° | 120.0° |
H201 | C20 | H202 | H203 | 119.4° | 120.0° |
O5 | C21 | C22 | C23 | 107.8° | 0.1° |
O5 | C21 | C22 | H221 | 17.5° | 120.1° |
O5 | C21 | C22 | H222 | 126.9° | 119.9° |
C21 | C22 | C23 | H221 | 125.3° | 120.0° |
C21 | C22 | C23 | H222 | 125.3° | 120.0° |
C21 | C22 | H221 | H222 | 114.9° | 120.0° |
C21 | C22 | C23 | C24 | 66.4° | 180.0° |
C21 | C22 | C23 | H231 | 168.3° | 60.0° |
C21 | C22 | C23 | H232 | 58.8° | 59.9° |
C23 | C22 | H221 | H222 | 114.9° | 120.0° |
C22 | C23 | C24 | H231 | 125.2° | 120.0° |
C22 | C23 | C24 | H232 | 125.2° | 120.1° |
C22 | C23 | H231 | H232 | 116.3° | 120.0° |
C22 | C23 | C24 | C25 | 148.4° | 180.0° |
C22 | C23 | C24 | H241 | 86.3° | 60.0° |
C22 | C23 | C24 | H242 | 23.1° | 60.0° |
H221 | C22 | C23 | C24 | 58.9° | 60.0° |
H221 | C22 | C23 | H231 | 66.4° | 180.0° |
H221 | C22 | C23 | H232 | 175.9° | 60.1° |
H222 | C22 | C23 | C24 | 168.3° | 60.0° |
H222 | C22 | C23 | H231 | 43.0° | 60.0° |
H222 | C22 | C23 | H232 | 66.4° | 179.9° |
C24 | C23 | H231 | H232 | 116.5° | 120.0° |
C23 | C24 | C25 | H241 | 125.2° | 120.1° |
C23 | C24 | C25 | H242 | 125.3° | 120.0° |
C23 | C24 | H241 | H242 | 116.0° | 120.0° |
C23 | C24 | C25 | N1 | 116.5° | 180.0° |
C23 | C24 | C25 | H251 | 118.2° | 60.0° |
C23 | C24 | C25 | H252 | 8.8° | 60.0° |
H231 | C23 | C24 | C25 | 23.2° | 60.0° |
H231 | C23 | C24 | H241 | 148.4° | 179.9° |
H231 | C23 | C24 | H242 | 102.1° | 60.0° |
H232 | C23 | C24 | C25 | 86.4° | 59.9° |
H232 | C23 | C24 | H241 | 38.9° | 60.1° |
H232 | C23 | C24 | H242 | 148.3° | 179.9° |
C25 | C24 | H241 | H242 | 116.1° | 120.0° |
C24 | C25 | N1 | H251 | 125.3° | 120.0° |
C24 | C25 | N1 | H252 | 125.2° | 120.0° |
C24 | C25 | H251 | H252 | 116.4° | 120.0° |
C24 | C25 | N1 | C26 | 113.6° | 180.0° |
C24 | C25 | N1 | C29 | 124.5° | 66.0° |
H241 | C24 | C25 | N1 | 8.7° | 60.0° |
H241 | C24 | C25 | H251 | 116.5° | 179.9° |
H241 | C24 | C25 | H252 | 134.0° | 60.1° |
H242 | C24 | C25 | N1 | 118.2° | 60.0° |
H242 | C24 | C25 | H251 | 7.0° | 60.0° |
H242 | C24 | C25 | H252 | 116.5° | 180.0° |
N1 | C25 | H251 | H252 | 116.5° | 120.0° |
C25 | N1 | C26 | C29 | 122.6° | 113.9° |
C25 | N1 | C26 | C27 | 173.3° | 175.0° |
C25 | N1 | C26 | H261 | 48.0° | 64.9° |
C25 | N1 | C26 | H262 | 61.5° | 55.0° |
C25 | N1 | C29 | C28 | 167.2° | 175.1° |
C25 | N1 | C29 | H291 | 67.5° | 64.9° |
C25 | N1 | C29 | H292 | 41.9° | 55.0° |
H251 | C25 | N1 | C26 | 121.2° | 60.0° |
H251 | C25 | N1 | C29 | 0.8° | 174.0° |
H252 | C25 | N1 | C26 | 11.7° | 60.0° |
H252 | C25 | N1 | C29 | 110.3° | 54.0° |
N1 | C26 | C27 | H261 | 125.3° | 120.1° |
N1 | C26 | C27 | H262 | 125.3° | 120.0° |
N1 | C26 | H261 | H262 | 117.1° | 119.9° |
N1 | C26 | C27 | N2 | 59.2° | 62.9° |
N1 | C26 | C27 | H271 | 175.5° | 57.1° |
N1 | C26 | C27 | H272 | 66.1° | 176.9° |
C26 | N1 | C29 | C28 | 47.7° | 61.2° |
C26 | N1 | C29 | H291 | 173.0° | 178.7° |
C26 | N1 | C29 | H292 | 77.5° | 58.9° |
C29 | N1 | C26 | C27 | 50.7° | 61.2° |
C29 | N1 | C26 | H261 | 74.6° | 178.7° |
C29 | N1 | C26 | H262 | 176.0° | 58.9° |
N1 | C29 | C28 | N2 | 52.6° | 62.9° |
N1 | C29 | C28 | H291 | 125.2° | 120.1° |
N1 | C29 | C28 | H292 | 125.2° | 120.1° |
N1 | C29 | C28 | H281 | 177.9° | 177.0° |
N1 | C29 | C28 | H282 | 72.6° | 57.1° |
N1 | C29 | H291 | H292 | 116.8° | 119.9° |
C27 | C26 | H261 | H262 | 117.1° | 119.9° |
C26 | C27 | N2 | H271 | 125.2° | 120.0° |
C26 | C27 | N2 | H272 | 125.3° | 120.1° |
C26 | C27 | H271 | H272 | 117.4° | 119.9° |
C26 | C27 | N2 | C28 | 61.2° | 61.2° |
C26 | C27 | N2 | C30 | 176.3° | 175.1° |
H261 | C26 | C27 | N2 | 66.1° | 177.0° |
H261 | C26 | C27 | H271 | 59.2° | 62.9° |
H261 | C26 | C27 | H272 | 168.7° | 56.9° |
H262 | C26 | C27 | N2 | 175.5° | 57.1° |
H262 | C26 | C27 | H271 | 50.3° | 177.2° |
H262 | C26 | C27 | H272 | 59.2° | 63.0° |
N2 | C27 | H271 | H272 | 117.4° | 119.9° |
C27 | N2 | C28 | C30 | 118.8° | 113.9° |
C27 | N2 | C28 | C29 | 58.2° | 61.2° |
C27 | N2 | C28 | H281 | 176.6° | 178.7° |
C27 | N2 | C28 | H282 | 67.0° | 58.8° |
C27 | N2 | C30 | H301 | 180.0° | 180.0° |
C27 | N2 | C30 | H302 | 54.7° | 60.0° |
C27 | N2 | C30 | H303 | 54.7° | 60.1° |
H271 | C27 | N2 | C28 | 173.6° | 58.8° |
H271 | C27 | N2 | C30 | 51.0° | 55.1° |
H272 | C27 | N2 | C28 | 64.1° | 178.7° |
H272 | C27 | N2 | C30 | 58.5° | 64.8° |
N2 | C28 | C29 | H281 | 125.3° | 120.1° |
N2 | C28 | C29 | H282 | 125.2° | 120.0° |
N2 | C28 | H281 | H282 | 117.1° | 119.9° |
N2 | C28 | C29 | H291 | 177.8° | 177.0° |
N2 | C28 | C29 | H292 | 72.6° | 57.1° |
C28 | N2 | C30 | H301 | 61.0° | 66.0° |
C28 | N2 | C30 | H302 | 173.8° | 174.0° |
C28 | N2 | C30 | H303 | 64.4° | 54.0° |
C30 | N2 | C28 | C29 | 176.9° | 175.1° |
C30 | N2 | C28 | H281 | 57.8° | 64.9° |
C30 | N2 | C28 | H282 | 51.7° | 55.1° |
N2 | C30 | H301 | H302 | 125.2° | 120.0° |
N2 | C30 | H301 | H303 | 125.3° | 120.0° |
N2 | C30 | H302 | H303 | 118.9° | 120.0° |
C29 | C28 | H281 | H282 | 117.0° | 119.9° |
C28 | C29 | H291 | H292 | 116.9° | 119.9° |
H281 | C28 | C29 | H291 | 56.9° | 56.9° |
H281 | C28 | C29 | H292 | 52.6° | 62.9° |
H282 | C28 | C29 | H291 | 52.6° | 63.0° |
H282 | C28 | C29 | H292 | 162.1° | 177.2° |
H301 | C30 | H302 | H303 | 119.0° | 119.9° |