PBS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C17 | C16 | sing | 1.53Å | 1.52Å | |
C17 | H171 | sing | 1.09Å | 1.12Å | |
C17 | H172 | sing | 1.09Å | 1.12Å | |
C17 | H173 | sing | 1.09Å | 1.12Å | |
C16 | C15 | sing | 1.53Å | 1.53Å | |
C16 | H161 | sing | 1.09Å | 1.12Å | |
C16 | H162 | sing | 1.09Å | 1.11Å | |
C15 | C14 | sing | 1.53Å | 1.53Å | |
C15 | H151 | sing | 1.09Å | 1.11Å | |
C15 | H152 | sing | 1.09Å | 1.12Å | |
C14 | C13 | sing | 1.53Å | 1.52Å | |
C14 | H141 | sing | 1.09Å | 1.12Å | |
C14 | H142 | sing | 1.09Å | 1.11Å | |
C13 | C12 | sing | 1.53Å | 1.52Å | |
C13 | H131 | sing | 1.09Å | 1.11Å | |
C13 | H132 | sing | 1.09Å | 1.12Å | |
C12 | C11 | sing | 1.53Å | 1.53Å | |
C12 | H121 | sing | 1.09Å | 1.12Å | |
C12 | H122 | sing | 1.09Å | 1.12Å | |
C11 | C10 | sing | 1.53Å | 1.51Å | |
C11 | H111 | sing | 1.09Å | 1.12Å | |
C11 | H112 | sing | 1.09Å | 1.12Å | |
C10 | C9 | sing | 1.53Å | 1.55Å | |
C10 | H101 | sing | 1.09Å | 1.11Å | |
C10 | H102 | sing | 1.09Å | 1.12Å | |
C9 | C8 | sing | 1.53Å | 1.54Å | |
C9 | H91 | sing | 1.09Å | 1.12Å | |
C9 | H92 | sing | 1.09Å | 1.11Å | |
C8 | C7 | sing | 1.53Å | 1.53Å | |
C8 | H81 | sing | 1.09Å | 1.11Å | |
C8 | H82 | sing | 1.09Å | 1.12Å | |
C7 | C6 | sing | 1.53Å | 1.53Å | |
C7 | H71 | sing | 1.09Å | 1.12Å | |
C7 | H72 | sing | 1.09Å | 1.11Å | |
C6 | C5 | sing | 1.53Å | 1.53Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
C5 | C4 | sing | 1.53Å | 1.54Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.11Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C4 | H41 | sing | 1.09Å | 1.12Å | |
C4 | H42 | sing | 1.09Å | 1.11Å | |
C3 | O32 | sing | 1.43Å | 1.43Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
O32 | H32 | sing | 0.97Å | 0.95Å | |
C2 | O1 | sing | 1.43Å | 1.42Å | |
C2 | C1 | sing | 1.53Å | 1.55Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C1 | N | sing | 1.47Å | 1.49Å | |
C1 | C | sing | 1.53Å | 1.53Å | |
C1 | H1 | sing | 1.09Å | 1.12Å | |
N | C18 | sing | 1.35Å | 1.34Å | |
N | HN | sing | 0.97Å | 1.02Å | |
C18 | O2 | doub | 1.21Å | 1.23Å | |
C18 | C19 | sing | 1.51Å | 1.54Å | |
C19 | C20 | sing | 1.53Å | 1.53Å | |
C19 | H191 | sing | 1.09Å | 1.11Å | |
C19 | H192 | sing | 1.09Å | 1.11Å | |
C20 | C21 | sing | 1.53Å | 1.52Å | |
C20 | H201 | sing | 1.09Å | 1.12Å | |
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 | 1.52Å | |
C22 | H221 | sing | 1.09Å | 1.11Å | |
C22 | H222 | sing | 1.09Å | 1.11Å | |
C23 | C24 | sing | 1.53Å | 1.52Å | |
C23 | H231 | sing | 1.09Å | 1.12Å | |
C23 | H232 | sing | 1.09Å | 1.12Å | |
C24 | C25 | sing | 1.53Å | 1.52Å | |
C24 | H241 | sing | 1.09Å | 1.11Å | |
C24 | H242 | sing | 1.09Å | 1.11Å | |
C25 | H251 | sing | 1.09Å | 1.12Å | |
C25 | H252 | sing | 1.09Å | 1.11Å | |
C25 | H253 | sing | 1.09Å | 1.12Å | |
C | OC1 | sing | 1.43Å | 1.44Å | |
C | H1A | sing | 1.09Å | 1.12Å | |
C | H2A | sing | 1.09Å | 1.11Å | |
OC1 | CG1 | sing | 1.43Å | 1.43Å | |
CG1 | OG | sing | 1.43Å | 1.43Å | |
CG1 | CG2 | sing | 1.53Å | 1.54Å | |
CG1 | HG1 | sing | 1.09Å | 1.12Å | |
OG | CG | sing | 1.43Å | 1.46Å | |
CG | CG5 | sing | 1.53Å | 1.54Å | |
CG | CG4 | sing | 1.53Å | 1.53Å | |
CG | HG | sing | 1.09Å | 1.11Å | |
CG5 | OG6 | sing | 1.43Å | 1.44Å | |
CG5 | HG51 | sing | 1.09Å | 1.11Å | |
CG5 | HG52 | sing | 1.09Å | 1.11Å | |
OG6 | HG6 | sing | 0.97Å | 0.95Å | |
CG4 | OG5 | sing | 1.43Å | 1.42Å | |
CG4 | CG3 | sing | 1.53Å | 1.54Å | |
CG4 | HG4 | sing | 1.09Å | 1.11Å | |
OG5 | HG5 | sing | 0.97Å | 0.95Å | |
CG3 | OG4 | sing | 1.43Å | 1.43Å | |
CG3 | CG2 | sing | 1.53Å | 1.55Å | |
CG3 | HG3 | sing | 1.09Å | 1.12Å | |
OG4 | H4 | sing | 0.97Å | 0.95Å | |
CG2 | OG3 | sing | 1.43Å | 1.42Å | |
CG2 | HG2 | sing | 1.09Å | 1.11Å | |
OG3 | H5 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C16 | C17 | H171 | 111.4° | 109.5° |
C16 | C17 | H172 | 111.5° | 109.5° |
C16 | C17 | H173 | 111.5° | 109.5° |
C17 | C16 | C15 | 111.4° | 109.4° |
C17 | C16 | H161 | 111.5° | 109.5° |
C17 | C16 | H162 | 111.5° | 109.5° |
H171 | C17 | H172 | 111.4° | 109.5° |
H171 | C17 | H173 | 111.5° | 109.5° |
H172 | C17 | H173 | 98.8° | 109.4° |
C15 | C16 | H161 | 111.5° | 109.5° |
C15 | C16 | H162 | 111.5° | 109.4° |
C16 | C15 | C14 | 110.5° | 109.4° |
C16 | C15 | H151 | 111.8° | 109.5° |
C16 | C15 | H152 | 111.8° | 109.5° |
H161 | C16 | H162 | 98.9° | 109.5° |
C14 | C15 | H151 | 111.9° | 109.5° |
C14 | C15 | H152 | 111.9° | 109.5° |
C15 | C14 | C13 | 112.8° | 109.4° |
C15 | C14 | H141 | 110.9° | 109.5° |
C15 | C14 | H142 | 110.9° | 109.5° |
H151 | C15 | H152 | 98.5° | 109.5° |
C13 | C14 | H141 | 111.0° | 109.5° |
C13 | C14 | H142 | 111.0° | 109.4° |
C14 | C13 | C12 | 108.1° | 109.5° |
C14 | C13 | H131 | 112.7° | 109.4° |
C14 | C13 | H132 | 112.7° | 109.5° |
H141 | C14 | H142 | 99.3° | 109.6° |
C12 | C13 | H131 | 112.7° | 109.5° |
C12 | C13 | H132 | 112.7° | 109.5° |
C13 | C12 | C11 | 110.4° | 109.4° |
C13 | C12 | H121 | 111.8° | 109.5° |
C13 | C12 | H122 | 111.8° | 109.5° |
H131 | C13 | H132 | 97.7° | 109.5° |
C11 | C12 | H121 | 111.9° | 109.5° |
C11 | C12 | H122 | 111.9° | 109.4° |
C12 | C11 | C10 | 110.9° | 109.4° |
C12 | C11 | H111 | 111.7° | 109.5° |
C12 | C11 | H112 | 111.7° | 109.5° |
H121 | C12 | H122 | 98.6° | 109.5° |
C10 | C11 | H111 | 111.7° | 109.5° |
C10 | C11 | H112 | 111.7° | 109.5° |
C11 | C10 | C9 | 112.0° | 109.5° |
C11 | C10 | H101 | 111.2° | 109.5° |
C11 | C10 | H102 | 111.2° | 109.5° |
H111 | C11 | H112 | 98.7° | 109.5° |
C9 | C10 | H101 | 111.3° | 109.5° |
C9 | C10 | H102 | 111.3° | 109.4° |
C10 | C9 | C8 | 110.0° | 109.4° |
C10 | C9 | H91 | 112.0° | 109.4° |
C10 | C9 | H92 | 112.0° | 109.5° |
H101 | C10 | H102 | 99.1° | 109.5° |
C8 | C9 | H91 | 112.0° | 109.5° |
C8 | C9 | H92 | 112.0° | 109.5° |
C9 | C8 | C7 | 111.9° | 109.4° |
C9 | C8 | H81 | 111.3° | 109.5° |
C9 | C8 | H82 | 111.3° | 109.5° |
H91 | C9 | H92 | 98.4° | 109.5° |
C7 | C8 | H81 | 111.3° | 109.5° |
C7 | C8 | H82 | 111.3° | 109.4° |
C8 | C7 | C6 | 112.9° | 109.4° |
C8 | C7 | H71 | 110.9° | 109.5° |
C8 | C7 | H72 | 110.9° | 109.5° |
H81 | C8 | H82 | 99.0° | 109.6° |
C6 | C7 | H71 | 111.0° | 109.5° |
C6 | C7 | H72 | 111.0° | 109.5° |
C7 | C6 | C5 | 112.2° | 109.5° |
C7 | C6 | H61 | 111.2° | 109.5° |
C7 | C6 | H62 | 111.2° | 109.5° |
H71 | C7 | H72 | 99.4° | 109.5° |
C5 | C6 | H61 | 111.2° | 109.5° |
C5 | C6 | H62 | 111.2° | 109.4° |
C6 | C5 | C4 | 113.0° | 109.5° |
C6 | C5 | H51 | 110.9° | 109.4° |
C6 | C5 | H52 | 110.9° | 109.5° |
H61 | C6 | H62 | 99.2° | 109.5° |
C4 | C5 | H51 | 110.9° | 109.5° |
C4 | C5 | H52 | 110.9° | 109.5° |
C5 | C4 | C3 | 109.8° | 109.4° |
C5 | C4 | H41 | 112.0° | 109.5° |
C5 | C4 | H42 | 112.1° | 109.5° |
H51 | C5 | H52 | 99.4° | 109.5° |
C3 | C4 | H41 | 112.1° | 109.5° |
C3 | C4 | H42 | 112.1° | 109.4° |
C4 | C3 | O32 | 107.6° | 109.5° |
C4 | C3 | C2 | 113.6° | 109.4° |
C4 | C3 | H3 | 108.9° | 109.5° |
H41 | C4 | H42 | 98.4° | 109.5° |
O32 | C3 | C2 | 111.9° | 109.5° |
O32 | C3 | H3 | 110.6° | 109.5° |
C3 | O32 | H32 | 107.6° | 106.8° |
C2 | C3 | H3 | 104.3° | 109.5° |
C3 | C2 | O1 | 108.3° | 109.5° |
C3 | C2 | C1 | 113.9° | 109.5° |
C3 | C2 | H2 | 106.4° | 109.5° |
O1 | C2 | C1 | 106.7° | 109.4° |
O1 | C2 | H2 | 113.6° | 109.4° |
C2 | O1 | HO1 | 108.3° | 106.8° |
C1 | C2 | H2 | 108.0° | 109.5° |
C2 | C1 | N | 113.8° | 109.5° |
C2 | C1 | C | 110.6° | 109.5° |
C2 | C1 | H1 | 105.3° | 109.5° |
N | C1 | C | 108.3° | 109.5° |
N | C1 | H1 | 107.8° | 109.4° |
C1 | N | C18 | 122.8° | 120.0° |
C1 | N | HN | 124.1° | 120.0° |
C | C1 | H1 | 111.1° | 109.5° |
C1 | C | OC1 | 106.2° | 109.5° |
C1 | C | H1A | 113.4° | 109.4° |
C1 | C | H2A | 113.4° | 109.5° |
C18 | N | HN | 113.1° | 120.0° |
N | C18 | O2 | 123.7° | 120.0° |
N | C18 | C19 | 116.9° | 120.0° |
O2 | C18 | C19 | 119.5° | 120.0° |
C18 | C19 | C20 | 112.7° | 109.5° |
C18 | C19 | H191 | 111.0° | 109.5° |
C18 | C19 | H192 | 111.0° | 109.5° |
C20 | C19 | H191 | 111.0° | 109.5° |
C20 | C19 | H192 | 111.0° | 109.5° |
C19 | C20 | C21 | 114.5° | 109.5° |
C19 | C20 | H201 | 110.4° | 109.5° |
C19 | C20 | H202 | 110.4° | 109.4° |
H191 | C19 | H192 | 99.4° | 109.4° |
C21 | C20 | H201 | 110.3° | 109.5° |
C21 | C20 | H202 | 110.4° | 109.5° |
C20 | C21 | C22 | 110.5° | 109.5° |
C20 | C21 | H211 | 111.8° | 109.4° |
C20 | C21 | H212 | 111.8° | 109.5° |
H201 | C20 | H202 | 99.9° | 109.5° |
C22 | C21 | H211 | 111.8° | 109.5° |
C22 | C21 | H212 | 111.8° | 109.5° |
C21 | C22 | C23 | 111.0° | 109.5° |
C21 | C22 | H221 | 111.7° | 109.5° |
C21 | C22 | H222 | 111.6° | 109.5° |
H211 | C21 | H212 | 98.6° | 109.5° |
C23 | C22 | H221 | 111.6° | 109.5° |
C23 | C22 | H222 | 111.6° | 109.4° |
C22 | C23 | C24 | 110.6° | 109.4° |
C22 | C23 | H231 | 111.8° | 109.5° |
C22 | C23 | H232 | 111.8° | 109.5° |
H221 | C22 | H222 | 98.8° | 109.4° |
C24 | C23 | H231 | 111.8° | 109.5° |
C24 | C23 | H232 | 111.8° | 109.5° |
C23 | C24 | C25 | 110.0° | 109.4° |
C23 | C24 | H241 | 112.0° | 109.5° |
C23 | C24 | H242 | 112.0° | 109.5° |
H231 | C23 | H232 | 98.5° | 109.5° |
C25 | C24 | H241 | 112.0° | 109.5° |
C25 | C24 | H242 | 112.0° | 109.5° |
C24 | C25 | H251 | 110.1° | 109.5° |
C24 | C25 | H252 | 112.0° | 109.5° |
C24 | C25 | H253 | 112.0° | 109.5° |
H241 | C24 | H242 | 98.5° | 109.5° |
H251 | C25 | H252 | 112.0° | 109.4° |
H251 | C25 | H253 | 112.0° | 109.4° |
H252 | C25 | H253 | 98.4° | 109.5° |
OC1 | C | H1A | 113.4° | 109.5° |
OC1 | C | H2A | 113.5° | 109.5° |
C | OC1 | CG1 | 118.1° | 106.8° |
H1A | C | H2A | 97.0° | 109.5° |
OC1 | CG1 | OG | 108.5° | 109.4° |
OC1 | CG1 | CG2 | 109.6° | 109.4° |
OC1 | CG1 | HG1 | 109.9° | 109.4° |
OG | CG1 | CG2 | 109.0° | 109.8° |
OG | CG1 | HG1 | 110.5° | 109.4° |
CG1 | OG | CG | 116.3° | 107.6° |
CG2 | CG1 | HG1 | 109.4° | 109.4° |
CG1 | CG2 | CG3 | 109.7° | 109.0° |
CG1 | CG2 | OG3 | 107.6° | 109.6° |
CG1 | CG2 | HG2 | 110.4° | 109.5° |
OG | CG | CG5 | 106.7° | 109.4° |
OG | CG | CG4 | 110.6° | 109.8° |
OG | CG | HG | 111.3° | 109.4° |
CG5 | CG | CG4 | 111.5° | 109.3° |
CG5 | CG | HG | 110.4° | 109.4° |
CG | CG5 | OG6 | 109.8° | 109.5° |
CG | CG5 | HG51 | 112.0° | 109.5° |
CG | CG5 | HG52 | 112.1° | 109.5° |
CG4 | CG | HG | 106.5° | 109.4° |
CG | CG4 | OG5 | 110.1° | 109.6° |
CG | CG4 | CG3 | 110.4° | 109.0° |
CG | CG4 | HG4 | 108.2° | 109.6° |
OG6 | CG5 | HG51 | 112.1° | 109.5° |
OG6 | CG5 | HG52 | 112.1° | 109.4° |
CG5 | OG6 | HG6 | 109.9° | 106.8° |
HG51 | CG5 | HG52 | 98.4° | 109.5° |
OG5 | CG4 | CG3 | 109.0° | 109.6° |
OG5 | CG4 | HG4 | 109.7° | 109.6° |
CG4 | OG5 | HG5 | 110.1° | 106.8° |
CG3 | CG4 | HG4 | 109.4° | 109.5° |
CG4 | CG3 | OG4 | 110.5° | 109.6° |
CG4 | CG3 | CG2 | 112.7° | 108.6° |
CG4 | CG3 | HG3 | 107.4° | 109.6° |
OG4 | CG3 | CG2 | 111.8° | 109.7° |
OG4 | CG3 | HG3 | 108.2° | 109.6° |
CG3 | OG4 | H4 | 110.5° | 106.8° |
CG2 | CG3 | HG3 | 105.9° | 109.7° |
CG3 | CG2 | OG3 | 109.0° | 109.6° |
CG3 | CG2 | HG2 | 109.0° | 109.6° |
OG3 | CG2 | HG2 | 111.0° | 109.6° |
CG2 | OG3 | H5 | 107.6° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C16 | C17 | H171 | H172 | 125.3° | 120.1° |
C16 | C17 | H171 | H173 | 125.3° | 120.0° |
C16 | C17 | H172 | H173 | 117.4° | 120.0° |
C17 | C16 | C15 | H161 | 125.2° | 120.0° |
C17 | C16 | C15 | H162 | 125.2° | 119.9° |
C17 | C16 | H161 | H162 | 117.4° | 120.0° |
C17 | C16 | C15 | C14 | 179.6° | 180.0° |
C17 | C16 | C15 | H151 | 54.3° | 60.0° |
C17 | C16 | C15 | H152 | 55.1° | 60.0° |
H171 | C17 | H172 | H173 | 117.4° | 120.0° |
H171 | C17 | C16 | C15 | 179.9° | 60.0° |
H171 | C17 | C16 | H161 | 54.7° | 60.0° |
H171 | C17 | C16 | H162 | 54.8° | 180.0° |
H172 | C17 | C16 | C15 | 54.7° | 60.0° |
H172 | C17 | C16 | H161 | 70.5° | 180.0° |
H172 | C17 | C16 | H162 | 180.0° | 59.9° |
H173 | C17 | C16 | C15 | 54.7° | 180.0° |
H173 | C17 | C16 | H161 | 180.0° | 60.0° |
H173 | C17 | C16 | H162 | 70.6° | 60.1° |
C15 | C16 | H161 | H162 | 117.5° | 120.0° |
C16 | C15 | C14 | H151 | 125.3° | 120.0° |
C16 | C15 | C14 | H152 | 125.2° | 120.0° |
C16 | C15 | H151 | H152 | 117.6° | 120.0° |
C16 | C15 | C14 | C13 | 157.9° | 180.0° |
C16 | C15 | C14 | H141 | 76.8° | 60.0° |
C16 | C15 | C14 | H142 | 32.6° | 60.1° |
H161 | C16 | C15 | C14 | 55.2° | 60.0° |
H161 | C16 | C15 | H151 | 179.5° | 179.9° |
H161 | C16 | C15 | H152 | 70.1° | 60.0° |
H162 | C16 | C15 | C14 | 54.4° | 60.0° |
H162 | C16 | C15 | H151 | 70.9° | 59.9° |
H162 | C16 | C15 | H152 | 179.7° | 180.0° |
C14 | C15 | H151 | H152 | 117.8° | 120.0° |
C15 | C14 | C13 | H141 | 125.2° | 120.0° |
C15 | C14 | C13 | H142 | 125.3° | 119.9° |
C15 | C14 | H141 | H142 | 116.8° | 120.0° |
C15 | C14 | C13 | C12 | 149.7° | 180.0° |
C15 | C14 | C13 | H131 | 24.4° | 60.0° |
C15 | C14 | C13 | H132 | 85.0° | 60.0° |
H151 | C15 | C14 | C13 | 32.6° | 60.0° |
H151 | C15 | C14 | H141 | 157.9° | 180.0° |
H151 | C15 | C14 | H142 | 92.7° | 59.9° |
H152 | C15 | C14 | C13 | 76.9° | 60.0° |
H152 | C15 | C14 | H141 | 48.4° | 59.9° |
H152 | C15 | C14 | H142 | 157.8° | 180.0° |
C13 | C14 | H141 | H142 | 116.9° | 120.0° |
C14 | C13 | C12 | H131 | 125.3° | 120.0° |
C14 | C13 | C12 | H132 | 125.2° | 120.0° |
C14 | C13 | H131 | H132 | 118.6° | 120.0° |
C14 | C13 | C12 | C11 | 153.3° | 180.0° |
C14 | C13 | C12 | H121 | 81.5° | 60.0° |
C14 | C13 | C12 | H122 | 28.0° | 60.1° |
H141 | C14 | C13 | C12 | 85.0° | 60.0° |
H141 | C14 | C13 | H131 | 149.7° | 179.9° |
H141 | C14 | C13 | H132 | 40.2° | 60.0° |
H142 | C14 | C13 | C12 | 24.5° | 60.1° |
H142 | C14 | C13 | H131 | 100.8° | 60.0° |
H142 | C14 | C13 | H132 | 149.7° | 179.9° |
C12 | C13 | H131 | H132 | 118.7° | 120.0° |
C13 | C12 | C11 | H121 | 125.2° | 120.0° |
C13 | C12 | C11 | H122 | 125.2° | 119.9° |
C13 | C12 | H121 | H122 | 117.7° | 120.0° |
C13 | C12 | C11 | C10 | 170.3° | 180.0° |
C13 | C12 | C11 | H111 | 45.1° | 60.0° |
C13 | C12 | C11 | H112 | 64.4° | 60.0° |
H131 | C13 | C12 | C11 | 28.0° | 60.0° |
H131 | C13 | C12 | H121 | 153.3° | 180.0° |
H131 | C13 | C12 | H122 | 97.3° | 59.9° |
H132 | C13 | C12 | C11 | 81.5° | 60.0° |
H132 | C13 | C12 | H121 | 43.8° | 60.0° |
H132 | C13 | C12 | H122 | 153.2° | 180.0° |
C11 | C12 | H121 | H122 | 117.8° | 120.0° |
C12 | C11 | C10 | H111 | 125.2° | 120.0° |
C12 | C11 | C10 | H112 | 125.2° | 120.0° |
C12 | C11 | H111 | H112 | 117.6° | 120.0° |
C12 | C11 | C10 | C9 | 144.7° | 180.0° |
C12 | C11 | C10 | H101 | 90.0° | 60.0° |
C12 | C11 | C10 | H102 | 19.4° | 60.1° |
H121 | C12 | C11 | C10 | 64.4° | 60.0° |
H121 | C12 | C11 | H111 | 170.3° | 180.0° |
H121 | C12 | C11 | H112 | 60.8° | 60.0° |
H122 | C12 | C11 | C10 | 45.1° | 60.1° |
H122 | C12 | C11 | H111 | 80.2° | 60.0° |
H122 | C12 | C11 | H112 | 170.4° | 180.0° |
C10 | C11 | H111 | H112 | 117.6° | 120.0° |
C11 | C10 | C9 | H101 | 125.2° | 120.0° |
C11 | C10 | C9 | H102 | 125.2° | 120.0° |
C11 | C10 | H101 | H102 | 117.1° | 120.0° |
C11 | C10 | C9 | C8 | 149.1° | 180.0° |
C11 | C10 | C9 | H91 | 23.9° | 60.0° |
C11 | C10 | C9 | H92 | 85.6° | 60.0° |
H111 | C11 | C10 | C9 | 19.4° | 60.0° |
H111 | C11 | C10 | H101 | 144.7° | 180.0° |
H111 | C11 | C10 | H102 | 105.9° | 60.0° |
H112 | C11 | C10 | C9 | 90.1° | 60.0° |
H112 | C11 | C10 | H101 | 35.2° | 60.0° |
H112 | C11 | C10 | H102 | 144.6° | 180.0° |
C9 | C10 | H101 | H102 | 117.2° | 120.0° |
C10 | C9 | C8 | H91 | 125.2° | 119.9° |
C10 | C9 | C8 | H92 | 125.3° | 120.0° |
C10 | C9 | H91 | H92 | 117.9° | 120.0° |
C10 | C9 | C8 | C7 | 174.4° | 180.0° |
C10 | C9 | C8 | H81 | 49.1° | 60.0° |
C10 | C9 | C8 | H82 | 60.3° | 60.1° |
H101 | C10 | C9 | C8 | 85.7° | 60.0° |
H101 | C10 | C9 | H91 | 149.1° | 180.0° |
H101 | C10 | C9 | H92 | 39.6° | 60.0° |
H102 | C10 | C9 | C8 | 23.9° | 60.0° |
H102 | C10 | C9 | H91 | 101.4° | 60.0° |
H102 | C10 | C9 | H92 | 149.1° | 180.0° |
C8 | C9 | H91 | H92 | 118.0° | 120.1° |
C9 | C8 | C7 | H81 | 125.3° | 120.0° |
C9 | C8 | C7 | H82 | 125.2° | 119.9° |
C9 | C8 | H81 | H82 | 117.1° | 120.0° |
C9 | C8 | C7 | C6 | 166.9° | 180.0° |
C9 | C8 | C7 | H71 | 41.7° | 60.0° |
C9 | C8 | C7 | H72 | 67.8° | 60.0° |
H91 | C9 | C8 | C7 | 60.4° | 60.1° |
H91 | C9 | C8 | H81 | 174.3° | 180.0° |
H91 | C9 | C8 | H82 | 64.9° | 59.9° |
H92 | C9 | C8 | C7 | 49.1° | 60.0° |
H92 | C9 | C8 | H81 | 76.2° | 59.9° |
H92 | C9 | C8 | H82 | 174.4° | 180.0° |
C7 | C8 | H81 | H82 | 117.2° | 120.0° |
C8 | C7 | C6 | H71 | 125.3° | 120.0° |
C8 | C7 | C6 | H72 | 125.2° | 120.0° |
C8 | C7 | H71 | H72 | 116.8° | 120.0° |
C8 | C7 | C6 | C5 | 86.4° | 180.0° |
C8 | C7 | C6 | H61 | 148.3° | 60.0° |
C8 | C7 | C6 | H62 | 38.8° | 60.1° |
H81 | C8 | C7 | C6 | 67.8° | 60.0° |
H81 | C8 | C7 | H71 | 166.9° | 180.0° |
H81 | C8 | C7 | H72 | 57.5° | 60.0° |
H82 | C8 | C7 | C6 | 41.7° | 60.1° |
H82 | C8 | C7 | H71 | 83.6° | 59.9° |
H82 | C8 | C7 | H72 | 167.0° | 179.9° |
C6 | C7 | H71 | H72 | 116.9° | 120.0° |
C7 | C6 | C5 | H61 | 125.2° | 120.0° |
C7 | C6 | C5 | H62 | 125.2° | 120.0° |
C7 | C6 | H61 | H62 | 117.1° | 120.0° |
C7 | C6 | C5 | C4 | 161.2° | 180.0° |
C7 | C6 | C5 | H51 | 73.5° | 60.0° |
C7 | C6 | C5 | H52 | 35.9° | 60.0° |
H71 | C7 | C6 | C5 | 38.8° | 60.0° |
H71 | C7 | C6 | H61 | 86.5° | 180.0° |
H71 | C7 | C6 | H62 | 164.0° | 60.0° |
H72 | C7 | C6 | C5 | 148.3° | 60.0° |
H72 | C7 | C6 | H61 | 23.0° | 60.0° |
H72 | C7 | C6 | H62 | 86.5° | 180.0° |
C5 | C6 | H61 | H62 | 117.1° | 120.0° |
C6 | C5 | C4 | H51 | 125.3° | 120.0° |
C6 | C5 | C4 | H52 | 125.3° | 120.0° |
C6 | C5 | H51 | H52 | 116.8° | 120.0° |
C6 | C5 | C4 | C3 | 67.5° | 180.0° |
C6 | C5 | C4 | H41 | 167.3° | 60.0° |
C6 | C5 | C4 | H42 | 57.8° | 60.1° |
H61 | C6 | C5 | C4 | 36.0° | 60.0° |
H61 | C6 | C5 | H51 | 161.3° | 180.0° |
H61 | C6 | C5 | H52 | 89.3° | 60.0° |
H62 | C6 | C5 | C4 | 73.6° | 60.0° |
H62 | C6 | C5 | H51 | 51.7° | 60.0° |
H62 | C6 | C5 | H52 | 161.2° | 180.0° |
C4 | C5 | H51 | H52 | 116.8° | 120.0° |
C5 | C4 | C3 | H41 | 125.2° | 120.0° |
C5 | C4 | C3 | H42 | 125.3° | 119.9° |
C5 | C4 | H41 | H42 | 118.0° | 120.0° |
C5 | C4 | C3 | O32 | 45.9° | 65.0° |
C5 | C4 | C3 | C2 | 170.3° | 175.0° |
C5 | C4 | C3 | H3 | 74.0° | 55.0° |
H51 | C5 | C4 | C3 | 57.8° | 60.0° |
H51 | C5 | C4 | H41 | 67.4° | 180.0° |
H51 | C5 | C4 | H42 | 176.9° | 59.9° |
H52 | C5 | C4 | C3 | 167.3° | 60.0° |
H52 | C5 | C4 | H41 | 42.0° | 60.0° |
H52 | C5 | C4 | H42 | 67.4° | 180.0° |
C3 | C4 | H41 | H42 | 118.0° | 120.0° |
C4 | C3 | O32 | C2 | 125.4° | 120.0° |
C4 | C3 | O32 | H3 | 118.8° | 120.0° |
C4 | C3 | C2 | H3 | 118.4° | 120.0° |
C4 | C3 | O32 | H32 | 180.0° | 60.0° |
C4 | C3 | C2 | O1 | 55.0° | 60.0° |
C4 | C3 | C2 | C1 | 63.5° | 180.0° |
C4 | C3 | C2 | H2 | 177.5° | 60.0° |
H41 | C4 | C3 | O32 | 79.3° | 55.0° |
H41 | C4 | C3 | C2 | 45.0° | 65.0° |
H41 | C4 | C3 | H3 | 160.8° | 175.0° |
H42 | C4 | C3 | O32 | 171.1° | 175.0° |
H42 | C4 | C3 | C2 | 64.5° | 55.0° |
H42 | C4 | C3 | H3 | 51.2° | 65.0° |
O32 | C3 | C2 | H3 | 119.6° | 120.0° |
O32 | C3 | C2 | O1 | 67.0° | 180.0° |
O32 | C3 | C2 | C1 | 174.5° | 60.0° |
O32 | C3 | C2 | H2 | 55.5° | 60.0° |
C2 | C3 | O32 | H32 | 54.6° | 60.0° |
C3 | C2 | O1 | C1 | 123.1° | 120.0° |
C3 | C2 | O1 | H2 | 118.0° | 120.0° |
C3 | C2 | C1 | H2 | 118.0° | 120.1° |
C3 | C2 | O1 | HO1 | 180.0° | 55.0° |
C3 | C2 | C1 | N | 59.3° | 65.5° |
C3 | C2 | C1 | C | 178.5° | 174.5° |
C3 | C2 | C1 | H1 | 58.4° | 54.5° |
H3 | C3 | O32 | H32 | 61.2° | 180.0° |
H3 | C3 | C2 | O1 | 173.5° | 60.0° |
H3 | C3 | C2 | C1 | 54.9° | 60.0° |
H3 | C3 | C2 | H2 | 64.1° | 180.0° |
O1 | C2 | C1 | H2 | 122.6° | 119.9° |
O1 | C2 | C1 | N | 178.8° | 174.5° |
O1 | C2 | C1 | C | 59.0° | 54.5° |
O1 | C2 | C1 | H1 | 61.1° | 65.5° |
C1 | C2 | O1 | HO1 | 57.0° | 65.0° |
C2 | C1 | N | C | 123.5° | 120.0° |
C2 | C1 | N | H1 | 116.3° | 120.0° |
C2 | C1 | C | H1 | 116.5° | 120.1° |
C2 | C1 | N | C18 | 137.9° | 155.0° |
C2 | C1 | N | HN | 42.0° | 25.0° |
C2 | C1 | C | OC1 | 75.9° | 55.5° |
C2 | C1 | C | H1A | 49.3° | 64.5° |
C2 | C1 | C | H2A | 158.8° | 175.5° |
H2 | C2 | O1 | HO1 | 62.0° | 175.0° |
H2 | C2 | C1 | N | 58.6° | 54.6° |
H2 | C2 | C1 | C | 63.5° | 65.4° |
H2 | C2 | C1 | H1 | 176.4° | 174.5° |
N | C1 | C | H1 | 118.1° | 119.9° |
C1 | N | C18 | HN | 179.9° | 179.9° |
C1 | N | C18 | O2 | 0.4° | 0.0° |
C1 | N | C18 | C19 | 179.6° | 180.0° |
N | C1 | C | OC1 | 49.4° | 64.4° |
N | C1 | C | H1A | 174.7° | 175.5° |
N | C1 | C | H2A | 75.9° | 55.5° |
C | C1 | N | C18 | 98.6° | 85.0° |
C | C1 | N | HN | 81.4° | 95.0° |
C1 | C | OC1 | H1A | 125.2° | 120.0° |
C1 | C | OC1 | H2A | 125.3° | 120.0° |
C1 | C | H1A | H2A | 119.3° | 120.0° |
C1 | C | OC1 | CG1 | 177.3° | 180.0° |
H1 | C1 | N | C18 | 21.6° | 35.0° |
H1 | C1 | N | HN | 158.3° | 145.1° |
H1 | C1 | C | OC1 | 167.6° | 175.6° |
H1 | C1 | C | H1A | 67.2° | 55.6° |
H1 | C1 | C | H2A | 42.3° | 64.4° |
N | C18 | O2 | C19 | 180.0° | 179.9° |
N | C18 | C19 | C20 | 101.3° | 180.0° |
N | C18 | C19 | H191 | 23.9° | 59.9° |
N | C18 | C19 | H192 | 133.5° | 60.0° |
HN | N | C18 | O2 | 179.5° | 180.0° |
HN | N | C18 | C19 | 0.5° | 0.1° |
O2 | C18 | C19 | C20 | 78.7° | 0.1° |
O2 | C18 | C19 | H191 | 156.1° | 120.0° |
O2 | C18 | C19 | H192 | 46.5° | 120.0° |
C18 | C19 | C20 | H191 | 125.2° | 120.1° |
C18 | C19 | C20 | H192 | 125.2° | 120.0° |
C18 | C19 | H191 | H192 | 116.9° | 120.0° |
C18 | C19 | C20 | C21 | 71.9° | 180.0° |
C18 | C19 | C20 | H201 | 53.3° | 60.0° |
C18 | C19 | C20 | H202 | 162.8° | 60.0° |
C20 | C19 | H191 | H192 | 116.9° | 120.0° |
C19 | C20 | C21 | H201 | 125.3° | 120.0° |
C19 | C20 | C21 | H202 | 125.3° | 120.0° |
C19 | C20 | H201 | H202 | 116.2° | 120.0° |
C19 | C20 | C21 | C22 | 166.0° | 180.0° |
C19 | C20 | C21 | H211 | 40.7° | 60.0° |
C19 | C20 | C21 | H212 | 68.8° | 60.0° |
H191 | C19 | C20 | C21 | 162.9° | 60.0° |
H191 | C19 | C20 | H201 | 71.9° | 180.0° |
H191 | C19 | C20 | H202 | 37.6° | 60.0° |
H192 | C19 | C20 | C21 | 53.3° | 60.0° |
H192 | C19 | C20 | H201 | 178.6° | 60.0° |
H192 | C19 | C20 | H202 | 72.0° | 180.0° |
C21 | C20 | H201 | H202 | 116.2° | 120.0° |
C20 | C21 | C22 | H211 | 125.3° | 120.0° |
C20 | C21 | C22 | H212 | 125.2° | 120.0° |
C20 | C21 | H211 | H212 | 117.7° | 120.0° |
C20 | C21 | C22 | C23 | 93.3° | 180.0° |
C20 | C21 | C22 | H221 | 31.9° | 60.0° |
C20 | C21 | C22 | H222 | 141.5° | 60.0° |
H201 | C20 | C21 | C22 | 68.8° | 60.0° |
H201 | C20 | C21 | H211 | 165.9° | 180.0° |
H201 | C20 | C21 | H212 | 56.4° | 60.0° |
H202 | C20 | C21 | C22 | 40.7° | 60.0° |
H202 | C20 | C21 | H211 | 84.6° | 60.0° |
H202 | C20 | C21 | H212 | 165.9° | NaN° |
C22 | C21 | H211 | H212 | 117.7° | 120.0° |
C21 | C22 | C23 | H221 | 125.2° | 120.0° |
C21 | C22 | C23 | H222 | 125.2° | 120.0° |
C21 | C22 | H221 | H222 | 117.6° | 120.0° |
C21 | C22 | C23 | C24 | 170.8° | 180.0° |
C21 | C22 | C23 | H231 | 45.5° | 60.0° |
C21 | C22 | C23 | H232 | 63.9° | 60.0° |
H211 | C21 | C22 | C23 | 141.4° | 60.0° |
H211 | C21 | C22 | H221 | 93.4° | 180.0° |
H211 | C21 | C22 | H222 | 16.2° | 60.0° |
H212 | C21 | C22 | C23 | 32.0° | 60.0° |
H212 | C21 | C22 | H221 | 157.1° | 60.0° |
H212 | C21 | C22 | H222 | 93.3° | 180.0° |
C23 | C22 | H221 | H222 | 117.5° | 119.9° |
C22 | C23 | C24 | H231 | 125.3° | 120.0° |
C22 | C23 | C24 | H232 | 125.3° | 120.0° |
C22 | C23 | H231 | H232 | 117.7° | 120.0° |
C22 | C23 | C24 | C25 | 133.8° | 180.0° |
C22 | C23 | C24 | H241 | 101.0° | 60.0° |
C22 | C23 | C24 | H242 | 8.5° | 60.0° |
H221 | C22 | C23 | C24 | 63.9° | 59.9° |
H221 | C22 | C23 | H231 | 170.8° | 180.0° |
H221 | C22 | C23 | H232 | 61.3° | 60.0° |
H222 | C22 | C23 | C24 | 45.6° | 60.0° |
H222 | C22 | C23 | H231 | 79.7° | 60.0° |
H222 | C22 | C23 | H232 | 170.8° | 180.0° |
C24 | C23 | H231 | H232 | 117.7° | 120.0° |
C23 | C24 | C25 | H241 | 125.2° | 120.0° |
C23 | C24 | C25 | H242 | 125.3° | 120.0° |
C23 | C24 | H241 | H242 | 118.0° | 120.0° |
C23 | C24 | C25 | H251 | 180.0° | 60.0° |
C23 | C24 | C25 | H252 | 54.7° | 60.0° |
C23 | C24 | C25 | H253 | 54.8° | 180.0° |
H231 | C23 | C24 | C25 | 8.4° | 60.0° |
H231 | C23 | C24 | H241 | 133.6° | 180.0° |
H231 | C23 | C24 | H242 | 116.8° | 60.0° |
H232 | C23 | C24 | C25 | 101.0° | 60.0° |
H232 | C23 | C24 | H241 | 24.2° | 60.0° |
H232 | C23 | C24 | H242 | 133.8° | 180.0° |
C25 | C24 | H241 | H242 | 117.9° | 120.0° |
C24 | C25 | H251 | H252 | 125.3° | 120.0° |
C24 | C25 | H251 | H253 | 125.3° | 120.0° |
C24 | C25 | H252 | H253 | 117.9° | 120.0° |
H241 | C24 | C25 | H251 | 54.8° | 180.0° |
H241 | C24 | C25 | H252 | 180.0° | 60.0° |
H241 | C24 | C25 | H253 | 70.5° | 60.0° |
H242 | C24 | C25 | H251 | 54.7° | 60.0° |
H242 | C24 | C25 | H252 | 70.6° | 180.0° |
H242 | C24 | C25 | H253 | 180.0° | 60.0° |
H251 | C25 | H252 | H253 | 117.9° | 119.9° |
OC1 | C | H1A | H2A | 119.4° | 120.0° |
C | OC1 | CG1 | OG | 83.2° | 69.9° |
C | OC1 | CG1 | CG2 | 157.9° | 169.8° |
C | OC1 | CG1 | HG1 | 37.7° | 50.0° |
H1A | C | OC1 | CG1 | 57.4° | 60.0° |
H2A | C | OC1 | CG1 | 52.0° | 60.0° |
OC1 | CG1 | OG | CG2 | 119.2° | 120.1° |
OC1 | CG1 | OG | HG1 | 120.5° | 119.9° |
OC1 | CG1 | CG2 | HG1 | 120.5° | 119.9° |
OC1 | CG1 | OG | CG | 58.2° | 52.5° |
OC1 | CG1 | CG2 | CG3 | 63.1° | 58.8° |
OC1 | CG1 | CG2 | OG3 | 55.4° | 61.1° |
OC1 | CG1 | CG2 | HG2 | 176.7° | 178.7° |
OG | CG1 | CG2 | HG1 | 121.0° | 120.0° |
CG1 | OG | CG | CG5 | 179.8° | 172.4° |
CG1 | OG | CG | CG4 | 58.8° | 67.6° |
CG1 | OG | CG | HG | 59.3° | 52.6° |
OG | CG1 | CG2 | CG3 | 55.4° | 61.3° |
OG | CG1 | CG2 | OG3 | 173.9° | 178.8° |
OG | CG1 | CG2 | HG2 | 64.7° | 58.6° |
CG2 | CG1 | OG | CG | 61.0° | 67.6° |
CG1 | CG2 | CG3 | CG4 | 52.8° | 53.8° |
CG1 | CG2 | CG3 | OG4 | 177.9° | 173.6° |
CG1 | CG2 | CG3 | OG3 | 117.6° | 119.9° |
CG1 | CG2 | CG3 | HG2 | 121.0° | 119.8° |
CG1 | CG2 | CG3 | HG3 | 64.4° | 66.0° |
CG1 | CG2 | OG3 | HG2 | 120.9° | 120.2° |
CG1 | CG2 | OG3 | H5 | 180.0° | 60.4° |
HG1 | CG1 | OG | CG | 178.7° | 172.4° |
HG1 | CG1 | CG2 | CG3 | 176.4° | 178.6° |
HG1 | CG1 | CG2 | OG3 | 65.1° | 58.7° |
HG1 | CG1 | CG2 | HG2 | 56.2° | 61.5° |
OG | CG | CG5 | CG4 | 120.8° | 120.3° |
OG | CG | CG5 | HG | 121.0° | 119.9° |
OG | CG | CG4 | HG | 121.0° | 120.2° |
OG | CG | CG5 | OG6 | 112.5° | 65.0° |
OG | CG | CG5 | HG51 | 122.2° | 175.0° |
OG | CG | CG5 | HG52 | 12.8° | 55.0° |
OG | CG | CG4 | OG5 | 70.1° | 58.6° |
OG | CG | CG4 | CG3 | 50.4° | 61.3° |
OG | CG | CG4 | HG4 | 170.1° | 178.9° |
CG5 | CG | CG4 | HG | 120.5° | 119.8° |
CG | CG5 | OG6 | HG51 | 125.2° | 120.0° |
CG | CG5 | OG6 | HG52 | 125.2° | 120.0° |
CG | CG5 | HG51 | HG52 | 118.0° | 120.0° |
CG | CG5 | OG6 | HG6 | 180.0° | 180.0° |
CG5 | CG | CG4 | OG5 | 48.5° | 61.4° |
CG5 | CG | CG4 | CG3 | 168.9° | 178.7° |
CG5 | CG | CG4 | HG4 | 71.4° | 58.8° |
CG4 | CG | CG5 | OG6 | 126.7° | 174.7° |
CG4 | CG | CG5 | HG51 | 1.4° | 54.7° |
CG4 | CG | CG5 | HG52 | 108.1° | 65.3° |
CG | CG4 | OG5 | CG3 | 121.3° | 119.5° |
CG | CG4 | OG5 | HG4 | 119.0° | 120.3° |
CG | CG4 | CG3 | HG4 | 119.0° | 119.9° |
CG | CG4 | OG5 | HG5 | 180.0° | 180.0° |
CG | CG4 | CG3 | OG4 | 176.1° | 173.6° |
CG | CG4 | CG3 | CG2 | 50.2° | 53.7° |
CG | CG4 | CG3 | HG3 | 66.0° | 66.1° |
HG | CG | CG5 | OG6 | 8.5° | 54.9° |
HG | CG | CG5 | HG51 | 116.7° | 65.1° |
HG | CG | CG5 | HG52 | 133.8° | 174.8° |
HG | CG | CG4 | OG5 | 169.0° | 178.8° |
HG | CG | CG4 | CG3 | 70.6° | 58.9° |
HG | CG | CG4 | HG4 | 49.1° | 60.9° |
OG6 | CG5 | HG51 | HG52 | 118.0° | 119.9° |
HG51 | CG5 | OG6 | HG6 | 54.7° | 59.9° |
HG52 | CG5 | OG6 | HG6 | 54.8° | 60.0° |
OG5 | CG4 | CG3 | HG4 | 119.9° | 120.2° |
OG5 | CG4 | CG3 | OG4 | 55.0° | 53.7° |
OG5 | CG4 | CG3 | CG2 | 70.9° | 66.2° |
OG5 | CG4 | CG3 | HG3 | 172.9° | 174.0° |
CG3 | CG4 | OG5 | HG5 | 58.7° | 60.4° |
CG4 | CG3 | OG4 | CG2 | 126.4° | 119.2° |
CG4 | CG3 | OG4 | HG3 | 117.3° | 120.3° |
CG4 | CG3 | CG2 | HG3 | 117.1° | 119.8° |
CG4 | CG3 | OG4 | H4 | 180.0° | 179.9° |
CG4 | CG3 | CG2 | OG3 | 170.3° | 173.7° |
CG4 | CG3 | CG2 | HG2 | 68.3° | 66.1° |
HG4 | CG4 | OG5 | HG5 | 61.0° | 59.7° |
HG4 | CG4 | CG3 | OG4 | 64.9° | 66.5° |
HG4 | CG4 | CG3 | CG2 | 169.2° | 173.6° |
HG4 | CG4 | CG3 | HG3 | 53.0° | 53.8° |
OG4 | CG3 | CG2 | HG3 | 117.7° | 120.4° |
OG4 | CG3 | CG2 | OG3 | 64.5° | 66.5° |
OG4 | CG3 | CG2 | HG2 | 56.9° | 53.7° |
CG2 | CG3 | OG4 | H4 | 53.7° | 60.7° |
CG3 | CG2 | OG3 | HG2 | 120.1° | 120.2° |
CG3 | CG2 | OG3 | H5 | 61.0° | 179.9° |
HG3 | CG3 | OG4 | H4 | 62.6° | 59.7° |
HG3 | CG3 | CG2 | OG3 | 53.2° | 53.9° |
HG3 | CG3 | CG2 | HG2 | 174.6° | 174.1° |
HG2 | CG2 | OG3 | H5 | 59.1° | 59.8° |