LIO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.38Å | |
C1 | O3P | sing | 1.43Å | 1.45Å | |
C1 | H11 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.39Å | |
C2 | O2 | sing | 1.45Å | 1.50Å | |
C2 | H21 | sing | 1.09Å | 1.11Å | |
C3 | O3 | sing | 1.45Å | 1.45Å | |
C3 | H31 | sing | 1.09Å | 1.12Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | O4P | sing | 1.43Å | 1.47Å | |
C4 | H41 | sing | 1.09Å | 1.11Å | |
C4 | H42 | sing | 1.09Å | 1.11Å | |
C5 | N | sing | 1.47Å | 1.51Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
C6 | N | sing | 1.47Å | 1.49Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
C6 | H63 | sing | 1.09Å | 1.11Å | |
C7 | N | sing | 1.47Å | 1.47Å | |
C7 | H71 | sing | 1.09Å | 1.11Å | |
C7 | H72 | sing | 1.09Å | 1.12Å | |
C7 | H73 | sing | 1.09Å | 1.12Å | |
C8 | N | sing | 1.47Å | 1.48Å | |
C8 | H81 | sing | 1.09Å | 1.11Å | |
C8 | H82 | sing | 1.09Å | 1.11Å | |
C8 | H83 | sing | 1.09Å | 1.11Å | |
C11 | C12 | sing | 1.51Å | 1.55Å | |
C11 | O3 | sing | 1.34Å | 1.47Å | |
C11 | O11 | doub | 1.21Å | 1.23Å | |
C12 | C13 | sing | 1.53Å | 1.53Å | |
C12 | H121 | sing | 1.09Å | 1.12Å | |
C12 | H122 | sing | 1.09Å | 1.11Å | |
C13 | C14 | sing | 1.53Å | 1.53Å | |
C13 | H131 | sing | 1.09Å | 1.12Å | |
C13 | H132 | sing | 1.09Å | 1.12Å | |
C14 | C15 | sing | 1.53Å | 1.52Å | |
C14 | H141 | sing | 1.09Å | 1.11Å | |
C14 | H142 | sing | 1.09Å | 1.11Å | |
C15 | C16 | sing | 1.53Å | 1.52Å | |
C15 | H151 | sing | 1.09Å | 1.12Å | |
C15 | H152 | sing | 1.09Å | 1.12Å | |
C16 | C17 | sing | 1.53Å | 1.53Å | |
C16 | H161 | sing | 1.09Å | 1.11Å | |
C16 | H162 | sing | 1.09Å | 1.11Å | |
C17 | C18 | sing | 1.53Å | 1.53Å | |
C17 | H171 | sing | 1.09Å | 1.12Å | |
C17 | H172 | sing | 1.09Å | 1.12Å | |
C18 | C19 | sing | 1.53Å | 1.53Å | |
C18 | H181 | sing | 1.09Å | 1.11Å | |
C18 | H182 | sing | 1.09Å | 1.11Å | |
C19 | C20 | sing | 1.53Å | 1.52Å | |
C19 | H191 | sing | 1.09Å | 1.12Å | |
C19 | H192 | sing | 1.09Å | 1.11Å | |
C20 | C21 | sing | 1.53Å | 1.53Å | |
C20 | H201 | sing | 1.09Å | 1.11Å | |
C20 | H202 | sing | 1.09Å | 1.12Å | |
C21 | C22 | sing | 1.53Å | 1.53Å | |
C21 | H211 | sing | 1.09Å | 1.12Å | |
C21 | H212 | sing | 1.09Å | 1.11Å | |
C22 | C23 | sing | 1.53Å | 1.52Å | |
C22 | H221 | sing | 1.09Å | 1.11Å | |
C22 | H222 | sing | 1.09Å | 1.12Å | |
C23 | C24 | sing | 1.53Å | 1.52Å | |
C23 | H231 | sing | 1.09Å | 1.12Å | |
C23 | H232 | sing | 1.09Å | 1.11Å | |
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 | 1.12Å | |
C25 | H253 | sing | 1.09Å | 1.11Å | |
C31 | C32 | sing | 1.51Å | 1.53Å | |
C31 | O2 | sing | 1.34Å | 1.48Å | |
C31 | O31 | doub | 1.21Å | 1.23Å | |
C32 | C33 | sing | 1.53Å | 1.54Å | |
C32 | H321 | sing | 1.09Å | 1.11Å | |
C32 | H322 | sing | 1.09Å | 1.11Å | |
C33 | C34 | sing | 1.53Å | 1.53Å | |
C33 | H331 | sing | 1.09Å | 1.11Å | |
C33 | H332 | sing | 1.09Å | 1.12Å | |
C34 | C35 | sing | 1.53Å | 1.52Å | |
C34 | H341 | sing | 1.09Å | 1.11Å | |
C34 | H342 | sing | 1.09Å | 1.12Å | |
C35 | C36 | sing | 1.53Å | 1.52Å | |
C35 | H351 | sing | 1.09Å | 1.11Å | |
C35 | H352 | sing | 1.09Å | 1.12Å | |
C36 | C37 | sing | 1.53Å | 1.53Å | |
C36 | H361 | sing | 1.09Å | 1.11Å | |
C36 | H362 | sing | 1.09Å | 1.11Å | |
C37 | C38 | sing | 1.53Å | 1.53Å | |
C37 | H371 | sing | 1.09Å | 1.11Å | |
C37 | H372 | sing | 1.09Å | 1.11Å | |
C38 | C39 | sing | 1.53Å | 1.54Å | |
C38 | H381 | sing | 1.09Å | 1.11Å | |
C38 | H382 | sing | 1.09Å | 1.12Å | |
C39 | C40 | sing | 1.53Å | 1.53Å | |
C39 | H391 | sing | 1.09Å | 1.12Å | |
C39 | H392 | sing | 1.09Å | 1.12Å | |
C40 | H401 | sing | 1.09Å | 1.11Å | |
C40 | H402 | sing | 1.09Å | 1.12Å | |
C40 | H403 | sing | 1.09Å | 1.12Å | |
O1P | P | sing | 1.61Å | 1.52Å | |
O1P | HOP1 | sing | 0.97Å | 0.95Å | |
O2P | P | doub | 1.48Å | 1.51Å | |
O3P | P | sing | 1.61Å | 1.53Å | |
O4P | P | sing | 1.61Å | 1.52Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O3P | 121.6° | 109.5° |
C2 | C1 | H11 | 107.9° | 109.5° |
C2 | C1 | H12 | 107.9° | 109.5° |
C1 | C2 | C3 | 108.4° | 109.5° |
C1 | C2 | O2 | 113.3° | 109.5° |
C1 | C2 | H21 | 110.3° | 109.5° |
O3P | C1 | H11 | 107.9° | 109.4° |
O3P | C1 | H12 | 107.9° | 109.5° |
C1 | O3P | P | 110.5° | 106.8° |
H11 | C1 | H12 | 102.0° | 109.5° |
C3 | C2 | O2 | 116.4° | 109.5° |
C3 | C2 | H21 | 106.9° | 109.4° |
C2 | C3 | O3 | 123.6° | 109.4° |
C2 | C3 | H31 | 107.2° | 109.5° |
C2 | C3 | H32 | 107.2° | 109.5° |
O2 | C2 | H21 | 101.1° | 109.4° |
C2 | O2 | C31 | 127.3° | 120.0° |
O3 | C3 | H31 | 107.2° | 109.5° |
O3 | C3 | H32 | 107.2° | 109.5° |
C3 | O3 | C11 | 112.6° | 120.0° |
H31 | C3 | H32 | 102.6° | 109.5° |
C5 | C4 | O4P | 122.0° | 109.4° |
C5 | C4 | H41 | 107.7° | 109.5° |
C5 | C4 | H42 | 107.7° | 109.5° |
C4 | C5 | N | 112.8° | 109.5° |
C4 | C5 | H51 | 111.0° | 109.4° |
C4 | C5 | H52 | 111.0° | 109.5° |
O4P | C4 | H41 | 107.8° | 109.4° |
O4P | C4 | H42 | 107.8° | 109.5° |
C4 | O4P | P | 120.7° | 106.8° |
H41 | C4 | H42 | 102.1° | 109.5° |
N | C5 | H51 | 111.0° | 109.5° |
N | C5 | H52 | 110.9° | 109.5° |
C5 | N | C6 | 111.0° | 109.5° |
C5 | N | C7 | 109.1° | 109.5° |
C5 | N | C8 | 110.9° | 109.4° |
H51 | C5 | H52 | 99.3° | 109.5° |
N | C6 | H61 | 111.0° | 109.5° |
N | C6 | H62 | 111.6° | 109.5° |
N | C6 | H63 | 111.6° | 109.5° |
C6 | N | C7 | 108.8° | 109.5° |
C6 | N | C8 | 109.2° | 109.5° |
H61 | C6 | H62 | 111.6° | 109.5° |
H61 | C6 | H63 | 111.6° | 109.4° |
H62 | C6 | H63 | 98.8° | 109.5° |
N | C7 | H71 | 109.1° | 109.5° |
N | C7 | H72 | 112.4° | 109.5° |
N | C7 | H73 | 112.4° | 109.5° |
C7 | N | C8 | 107.8° | 109.5° |
H71 | C7 | H72 | 112.4° | 109.5° |
H71 | C7 | H73 | 112.3° | 109.5° |
H72 | C7 | H73 | 98.0° | 109.5° |
N | C8 | H81 | 110.8° | 109.5° |
N | C8 | H82 | 111.7° | 109.5° |
N | C8 | H83 | 111.7° | 109.5° |
H81 | C8 | H82 | 111.7° | 109.5° |
H81 | C8 | H83 | 111.7° | 109.4° |
H82 | C8 | H83 | 98.7° | 109.5° |
C12 | C11 | O3 | 117.3° | 120.0° |
C12 | C11 | O11 | 122.2° | 120.0° |
C11 | C12 | C13 | 110.1° | 109.4° |
C11 | C12 | H121 | 112.0° | 109.5° |
C11 | C12 | H122 | 112.0° | 109.4° |
O3 | C11 | O11 | 120.5° | 120.0° |
C13 | C12 | H121 | 112.0° | 109.5° |
C13 | C12 | H122 | 112.0° | 109.5° |
C12 | C13 | C14 | 111.1° | 109.4° |
C12 | C13 | H131 | 111.6° | 109.5° |
C12 | C13 | H132 | 111.6° | 109.5° |
H121 | C12 | H122 | 98.4° | 109.5° |
C14 | C13 | H131 | 111.6° | 109.5° |
C14 | C13 | H132 | 111.6° | 109.5° |
C13 | C14 | C15 | 107.6° | 109.4° |
C13 | C14 | H141 | 112.9° | 109.5° |
C13 | C14 | H142 | 112.9° | 109.5° |
H131 | C13 | H132 | 98.8° | 109.5° |
C15 | C14 | H141 | 112.9° | 109.5° |
C15 | C14 | H142 | 112.9° | 109.5° |
C14 | C15 | C16 | 111.4° | 109.5° |
C14 | C15 | H151 | 111.5° | 109.5° |
C14 | C15 | H152 | 111.5° | 109.5° |
H141 | C14 | H142 | 97.6° | 109.5° |
C16 | C15 | H151 | 111.5° | 109.4° |
C16 | C15 | H152 | 111.5° | 109.4° |
C15 | C16 | C17 | 107.5° | 109.5° |
C15 | C16 | H161 | 112.9° | 109.4° |
C15 | C16 | H162 | 112.9° | 109.5° |
H151 | C15 | H152 | 98.8° | 109.5° |
C17 | C16 | H161 | 112.9° | 109.5° |
C17 | C16 | H162 | 112.9° | 109.5° |
C16 | C17 | C18 | 110.8° | 109.5° |
C16 | C17 | H171 | 111.7° | 109.5° |
C16 | C17 | H172 | 111.7° | 109.5° |
H161 | C16 | H162 | 97.6° | 109.4° |
C18 | C17 | H171 | 111.7° | 109.5° |
C18 | C17 | H172 | 111.7° | 109.5° |
C17 | C18 | C19 | 109.1° | 109.5° |
C17 | C18 | H181 | 112.3° | 109.5° |
C17 | C18 | H182 | 112.3° | 109.5° |
H171 | C17 | H172 | 98.6° | 109.5° |
C19 | C18 | H181 | 112.4° | 109.4° |
C19 | C18 | H182 | 112.4° | 109.4° |
C18 | C19 | C20 | 109.5° | 109.5° |
C18 | C19 | H191 | 112.2° | 109.4° |
C18 | C19 | H192 | 112.3° | 109.4° |
H181 | C18 | H182 | 98.1° | 109.5° |
C20 | C19 | H191 | 112.2° | 109.5° |
C20 | C19 | H192 | 112.2° | 109.5° |
C19 | C20 | C21 | 109.1° | 109.5° |
C19 | C20 | H201 | 112.4° | 109.5° |
C19 | C20 | H202 | 112.4° | 109.5° |
H191 | C19 | H192 | 98.2° | 109.5° |
C21 | C20 | H201 | 112.4° | 109.5° |
C21 | C20 | H202 | 112.3° | 109.5° |
C20 | C21 | C22 | 109.1° | 109.5° |
C20 | C21 | H211 | 112.3° | 109.5° |
C20 | C21 | H212 | 112.4° | 109.5° |
H201 | C20 | H202 | 98.1° | 109.5° |
C22 | C21 | H211 | 112.3° | 109.4° |
C22 | C21 | H212 | 112.3° | 109.5° |
C21 | C22 | C23 | 108.9° | 109.5° |
C21 | C22 | H221 | 112.5° | 109.4° |
C21 | C22 | H222 | 112.4° | 109.5° |
H211 | C21 | H212 | 98.1° | 109.4° |
C23 | C22 | H221 | 112.4° | 109.5° |
C23 | C22 | H222 | 112.4° | 109.5° |
C22 | C23 | C24 | 110.0° | 109.5° |
C22 | C23 | H231 | 112.1° | 109.4° |
C22 | C23 | H232 | 112.1° | 109.5° |
H221 | C22 | H222 | 98.0° | 109.5° |
C24 | C23 | H231 | 112.0° | 109.5° |
C24 | C23 | H232 | 112.0° | 109.5° |
C23 | C24 | C25 | 108.6° | 109.4° |
C23 | C24 | H241 | 112.6° | 109.5° |
C23 | C24 | H242 | 112.6° | 109.5° |
H231 | C23 | H232 | 98.3° | 109.5° |
C25 | C24 | H241 | 112.5° | 109.4° |
C25 | C24 | H242 | 112.5° | 109.5° |
C24 | C25 | H251 | 108.6° | 109.4° |
C24 | C25 | H252 | 112.5° | 109.5° |
C24 | C25 | H253 | 112.5° | 109.4° |
H241 | C24 | H242 | 97.9° | 109.5° |
H251 | C25 | H252 | 112.5° | 109.5° |
H251 | C25 | H253 | 112.6° | 109.4° |
H252 | C25 | H253 | 97.9° | 109.5° |
C32 | C31 | O2 | 125.0° | 120.0° |
C32 | C31 | O31 | 117.5° | 120.0° |
C31 | C32 | C33 | 108.6° | 109.5° |
C31 | C32 | H321 | 112.5° | 109.4° |
C31 | C32 | H322 | 112.5° | 109.5° |
O2 | C31 | O31 | 117.6° | 120.0° |
C33 | C32 | H321 | 112.5° | 109.5° |
C33 | C32 | H322 | 112.5° | 109.5° |
C32 | C33 | C34 | 110.3° | 109.5° |
C32 | C33 | H331 | 111.9° | 109.5° |
C32 | C33 | H332 | 111.8° | 109.5° |
H321 | C32 | H322 | 98.0° | 109.5° |
C34 | C33 | H331 | 111.9° | 109.4° |
C34 | C33 | H332 | 111.9° | 109.5° |
C33 | C34 | C35 | 109.2° | 109.5° |
C33 | C34 | H341 | 112.3° | 109.5° |
C33 | C34 | H342 | 112.3° | 109.5° |
H331 | C33 | H332 | 98.5° | 109.4° |
C35 | C34 | H341 | 112.3° | 109.5° |
C35 | C34 | H342 | 112.3° | 109.5° |
C34 | C35 | C36 | 109.9° | 109.5° |
C34 | C35 | H351 | 112.0° | 109.4° |
C34 | C35 | H352 | 112.0° | 109.5° |
H341 | C34 | H342 | 98.1° | 109.4° |
C36 | C35 | H351 | 112.1° | 109.5° |
C36 | C35 | H352 | 112.1° | 109.5° |
C35 | C36 | C37 | 109.0° | 109.5° |
C35 | C36 | H361 | 112.4° | 109.5° |
C35 | C36 | H362 | 112.4° | 109.5° |
H351 | C35 | H352 | 98.4° | 109.5° |
C37 | C36 | H361 | 112.4° | 109.4° |
C37 | C36 | H362 | 112.4° | 109.5° |
C36 | C37 | C38 | 110.3° | 109.5° |
C36 | C37 | H371 | 111.9° | 109.5° |
C36 | C37 | H372 | 111.9° | 109.5° |
H361 | C36 | H362 | 98.0° | 109.5° |
C38 | C37 | H371 | 111.9° | 109.5° |
C38 | C37 | H372 | 111.9° | 109.4° |
C37 | C38 | C39 | 110.0° | 109.5° |
C37 | C38 | H381 | 112.0° | 109.5° |
C37 | C38 | H382 | 112.0° | 109.5° |
H371 | C37 | H372 | 98.5° | 109.5° |
C39 | C38 | H381 | 112.1° | 109.5° |
C39 | C38 | H382 | 112.1° | 109.4° |
C38 | C39 | C40 | 109.6° | 109.4° |
C38 | C39 | H391 | 112.1° | 109.5° |
C38 | C39 | H392 | 112.1° | 109.4° |
H381 | C38 | H382 | 98.3° | 109.4° |
C40 | C39 | H391 | 112.2° | 109.5° |
C40 | C39 | H392 | 112.2° | 109.5° |
C39 | C40 | H401 | 109.6° | 109.5° |
C39 | C40 | H402 | 112.1° | 109.5° |
C39 | C40 | H403 | 112.1° | 109.5° |
H391 | C39 | H392 | 98.2° | 109.5° |
H401 | C40 | H402 | 112.2° | 109.5° |
H401 | C40 | H403 | 112.2° | 109.4° |
H402 | C40 | H403 | 98.2° | 109.5° |
P | O1P | HOP1 | 108.9° | 106.8° |
O1P | P | O2P | 109.0° | 109.5° |
O1P | P | O3P | 111.2° | 109.5° |
O1P | P | O4P | 109.3° | 109.5° |
O2P | P | O3P | 108.0° | 109.5° |
O2P | P | O4P | 108.9° | 109.5° |
O3P | P | O4P | 110.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O3P | H11 | 125.3° | 120.0° |
C2 | C1 | O3P | H12 | 125.3° | 120.1° |
C2 | C1 | H11 | H12 | 113.5° | 120.0° |
C1 | C2 | C3 | O2 | 129.1° | 120.1° |
C1 | C2 | C3 | H21 | 118.9° | 120.0° |
C1 | C2 | O2 | H21 | 118.1° | 120.0° |
C1 | C2 | C3 | O3 | 0.2° | 55.0° |
C1 | C2 | C3 | H31 | 125.1° | 65.0° |
C1 | C2 | C3 | H32 | 125.4° | 175.0° |
C1 | C2 | O2 | C31 | 178.1° | 90.0° |
C2 | C1 | O3P | P | 140.7° | 180.0° |
O3P | C1 | H11 | H12 | 113.5° | 120.0° |
O3P | C1 | C2 | C3 | 136.8° | 55.0° |
O3P | C1 | C2 | O2 | 92.5° | 65.1° |
O3P | C1 | C2 | H21 | 20.1° | 175.0° |
C1 | O3P | P | O1P | 55.3° | 65.0° |
C1 | O3P | P | O2P | 174.8° | 55.0° |
C1 | O3P | P | O4P | 66.3° | 175.0° |
H11 | C1 | C2 | C3 | 98.0° | 64.9° |
H11 | C1 | C2 | O2 | 32.8° | 175.0° |
H11 | C1 | C2 | H21 | 145.3° | 55.0° |
H11 | C1 | O3P | P | 94.0° | 60.0° |
H12 | C1 | C2 | C3 | 11.5° | 175.0° |
H12 | C1 | C2 | O2 | 142.3° | 55.0° |
H12 | C1 | C2 | H21 | 105.2° | 65.0° |
H12 | C1 | O3P | P | 15.4° | 60.0° |
C3 | C2 | O2 | H21 | 115.3° | 120.0° |
C2 | C3 | O3 | H31 | 125.2° | 120.0° |
C2 | C3 | O3 | H32 | 125.2° | 120.0° |
C2 | C3 | H31 | H32 | 112.7° | 120.0° |
C2 | C3 | O3 | C11 | 176.7° | 180.0° |
C3 | C2 | O2 | C31 | 51.4° | 150.0° |
O2 | C2 | C3 | O3 | 129.2° | 65.0° |
O2 | C2 | C3 | H31 | 4.0° | 175.0° |
O2 | C2 | C3 | H32 | 105.5° | 54.9° |
C2 | O2 | C31 | C32 | 1.5° | 180.0° |
C2 | O2 | C31 | O31 | 179.3° | 0.0° |
H21 | C2 | C3 | O3 | 118.8° | 175.0° |
H21 | C2 | C3 | H31 | 116.0° | 55.0° |
H21 | C2 | C3 | H32 | 6.5° | 65.0° |
H21 | C2 | O2 | C31 | 63.9° | 30.0° |
O3 | C3 | H31 | H32 | 112.7° | 120.0° |
C3 | O3 | C11 | C12 | 0.1° | 180.0° |
C3 | O3 | C11 | O11 | 179.8° | 0.1° |
H31 | C3 | O3 | C11 | 51.5° | 60.0° |
H32 | C3 | O3 | C11 | 58.1° | 60.0° |
C5 | C4 | O4P | H41 | 125.3° | 120.0° |
C5 | C4 | O4P | H42 | 125.2° | 120.0° |
C5 | C4 | H41 | H42 | 113.3° | 120.1° |
C4 | C5 | N | H51 | 125.3° | 120.0° |
C4 | C5 | N | H52 | 125.3° | 120.0° |
C4 | C5 | H51 | H52 | 116.9° | 120.0° |
C4 | C5 | N | C6 | 60.2° | 54.4° |
C4 | C5 | N | C7 | 179.9° | 174.4° |
C4 | C5 | N | C8 | 61.4° | 65.6° |
C5 | C4 | O4P | P | 84.4° | 180.0° |
O4P | C4 | H41 | H42 | 113.4° | 120.0° |
O4P | C4 | C5 | N | 180.0° | 66.5° |
O4P | C4 | C5 | H51 | 54.7° | 173.5° |
O4P | C4 | C5 | H52 | 54.8° | 53.5° |
C4 | O4P | P | O1P | 56.3° | 65.0° |
C4 | O4P | P | O2P | 62.6° | 55.0° |
C4 | O4P | P | O3P | 178.9° | 175.0° |
H41 | C4 | C5 | N | 54.7° | 53.4° |
H41 | C4 | C5 | H51 | 70.6° | 66.6° |
H41 | C4 | C5 | H52 | 179.9° | 173.5° |
H41 | C4 | O4P | P | 40.9° | 60.0° |
H42 | C4 | C5 | N | 54.8° | 173.5° |
H42 | C4 | C5 | H51 | 179.9° | 53.5° |
H42 | C4 | C5 | H52 | 70.4° | 66.5° |
H42 | C4 | O4P | P | 150.4° | 60.0° |
N | C5 | H51 | H52 | 116.8° | 120.1° |
C5 | N | C6 | C7 | 120.1° | 120.0° |
C5 | N | C6 | C8 | 122.5° | 120.0° |
C5 | N | C6 | H61 | 180.0° | 60.0° |
C5 | N | C6 | H62 | 54.8° | 180.0° |
C5 | N | C6 | H63 | 54.7° | 59.9° |
C5 | N | C7 | C8 | 120.5° | 120.0° |
C5 | N | C7 | H71 | 180.0° | 60.0° |
C5 | N | C7 | H72 | 54.7° | 180.0° |
C5 | N | C7 | H73 | 54.8° | 60.0° |
C5 | N | C8 | H81 | 180.0° | 71.0° |
C5 | N | C8 | H82 | 54.7° | 169.0° |
C5 | N | C8 | H83 | 54.8° | 49.0° |
H51 | C5 | N | C6 | 174.5° | 65.6° |
H51 | C5 | N | C7 | 54.6° | 54.5° |
H51 | C5 | N | C8 | 63.9° | 174.5° |
H52 | C5 | N | C6 | 65.1° | 174.4° |
H52 | C5 | N | C7 | 54.8° | 65.6° |
H52 | C5 | N | C8 | 173.3° | 54.4° |
N | C6 | H61 | H62 | 125.2° | 120.0° |
N | C6 | H61 | H63 | 125.3° | 120.0° |
N | C6 | H62 | H63 | 117.6° | 120.0° |
C6 | N | C7 | C8 | 118.3° | 120.0° |
C6 | N | C7 | H71 | 58.7° | 180.0° |
C6 | N | C7 | H72 | 175.9° | 60.0° |
C6 | N | C7 | H73 | 66.5° | 60.1° |
C6 | N | C8 | H81 | 57.4° | 49.0° |
C6 | N | C8 | H82 | 67.9° | 71.0° |
C6 | N | C8 | H83 | 177.4° | 169.0° |
H61 | C6 | H62 | H63 | 117.5° | 120.0° |
H61 | C6 | N | C7 | 59.9° | 60.0° |
H61 | C6 | N | C8 | 57.5° | 180.0° |
H62 | C6 | N | C7 | 65.3° | 60.0° |
H62 | C6 | N | C8 | 177.3° | 60.0° |
H63 | C6 | N | C7 | 174.8° | 180.0° |
H63 | C6 | N | C8 | 67.8° | 60.0° |
N | C7 | H71 | H72 | 125.4° | 120.0° |
N | C7 | H71 | H73 | 125.2° | 120.0° |
N | C7 | H72 | H73 | 118.3° | 120.0° |
C7 | N | C8 | H81 | 60.7° | 169.0° |
C7 | N | C8 | H82 | 174.1° | 49.0° |
C7 | N | C8 | H83 | 64.6° | 71.0° |
H71 | C7 | H72 | H73 | 118.2° | 120.0° |
H71 | C7 | N | C8 | 59.6° | 60.0° |
H72 | C7 | N | C8 | 65.8° | 60.0° |
H73 | C7 | N | C8 | 175.2° | 180.0° |
N | C8 | H81 | H82 | 125.2° | 120.0° |
N | C8 | H81 | H83 | 125.2° | 120.0° |
N | C8 | H82 | H83 | 117.6° | 120.0° |
H81 | C8 | H82 | H83 | 117.7° | 120.0° |
C12 | C11 | O3 | O11 | 179.9° | 180.0° |
C11 | C12 | C13 | H121 | 125.2° | 120.0° |
C11 | C12 | C13 | H122 | 125.3° | 120.0° |
C11 | C12 | H121 | H122 | 117.9° | 120.0° |
C11 | C12 | C13 | C14 | 179.8° | 180.0° |
C11 | C12 | C13 | H131 | 54.6° | 60.0° |
C11 | C12 | C13 | H132 | 54.9° | 60.0° |
O3 | C11 | C12 | C13 | 149.7° | 180.0° |
O3 | C11 | C12 | H121 | 24.4° | 60.0° |
O3 | C11 | C12 | H122 | 85.0° | 60.0° |
O11 | C11 | C12 | C13 | 30.2° | 0.0° |
O11 | C11 | C12 | H121 | 155.5° | 120.0° |
O11 | C11 | C12 | H122 | 95.1° | 120.0° |
C13 | C12 | H121 | H122 | 117.9° | 120.1° |
C12 | C13 | C14 | H131 | 125.3° | 120.0° |
C12 | C13 | C14 | H132 | 125.2° | 119.9° |
C12 | C13 | H131 | H132 | 117.5° | 120.0° |
C12 | C13 | C14 | C15 | 139.7° | 180.0° |
C12 | C13 | C14 | H141 | 14.5° | 60.0° |
C12 | C13 | C14 | H142 | 95.0° | 60.1° |
H121 | C12 | C13 | C14 | 54.9° | 60.0° |
H121 | C12 | C13 | H131 | 179.8° | 180.0° |
H121 | C12 | C13 | H132 | 70.4° | 60.0° |
H122 | C12 | C13 | C14 | 54.6° | 60.1° |
H122 | C12 | C13 | H131 | 70.7° | 60.0° |
H122 | C12 | C13 | H132 | 179.8° | 180.0° |
C14 | C13 | H131 | H132 | 117.5° | 120.0° |
C13 | C14 | C15 | H141 | 125.2° | 120.0° |
C13 | C14 | C15 | H142 | 125.3° | 120.0° |
C13 | C14 | H141 | H142 | 118.8° | 120.0° |
C13 | C14 | C15 | C16 | 145.9° | 180.0° |
C13 | C14 | C15 | H151 | 20.6° | 60.0° |
C13 | C14 | C15 | H152 | 88.8° | 60.1° |
H131 | C13 | C14 | C15 | 95.0° | 60.0° |
H131 | C13 | C14 | H141 | 139.8° | NaN° |
H131 | C13 | C14 | H142 | 30.3° | 59.9° |
H132 | C13 | C14 | C15 | 14.5° | 60.1° |
H132 | C13 | C14 | H141 | 110.7° | 59.9° |
H132 | C13 | C14 | H142 | 139.8° | 180.0° |
C15 | C14 | H141 | H142 | 118.9° | 120.0° |
C14 | C15 | C16 | H151 | 125.3° | 120.0° |
C14 | C15 | C16 | H152 | 125.3° | 120.0° |
C14 | C15 | H151 | H152 | 117.4° | 120.1° |
C14 | C15 | C16 | C17 | 179.7° | 180.0° |
C14 | C15 | C16 | H161 | 55.1° | 60.0° |
C14 | C15 | C16 | H162 | 54.5° | 60.0° |
H141 | C14 | C15 | C16 | 88.9° | 60.0° |
H141 | C14 | C15 | H151 | 145.8° | 180.0° |
H141 | C14 | C15 | H152 | 36.4° | 60.0° |
H142 | C14 | C15 | C16 | 20.6° | 60.0° |
H142 | C14 | C15 | H151 | 104.7° | 60.0° |
H142 | C14 | C15 | H152 | 145.9° | 180.0° |
C16 | C15 | H151 | H152 | 117.4° | 119.9° |
C15 | C16 | C17 | H161 | 125.2° | 120.0° |
C15 | C16 | C17 | H162 | 125.2° | 120.0° |
C15 | C16 | H161 | H162 | 118.9° | 119.9° |
C15 | C16 | C17 | C18 | 167.3° | 180.0° |
C15 | C16 | C17 | H171 | 67.4° | 60.0° |
C15 | C16 | C17 | H172 | 42.0° | 60.0° |
H151 | C15 | C16 | C17 | 54.5° | 60.0° |
H151 | C15 | C16 | H161 | 179.7° | 180.0° |
H151 | C15 | C16 | H162 | 70.8° | 60.1° |
H152 | C15 | C16 | C17 | 55.0° | 60.0° |
H152 | C15 | C16 | H161 | 70.2° | 60.0° |
H152 | C15 | C16 | H162 | 179.7° | 180.0° |
C17 | C16 | H161 | H162 | 118.9° | 120.0° |
C16 | C17 | C18 | H171 | 125.3° | 120.0° |
C16 | C17 | C18 | H172 | 125.3° | 120.0° |
C16 | C17 | H171 | H172 | 117.6° | 120.0° |
C16 | C17 | C18 | C19 | 118.9° | 180.0° |
C16 | C17 | C18 | H181 | 6.4° | 60.0° |
C16 | C17 | C18 | H182 | 115.9° | 60.0° |
H161 | C16 | C17 | C18 | 42.1° | 60.0° |
H161 | C16 | C17 | H171 | 167.4° | NaN° |
H161 | C16 | C17 | H172 | 83.2° | 60.0° |
H162 | C16 | C17 | C18 | 67.5° | 60.0° |
H162 | C16 | C17 | H171 | 57.9° | 60.0° |
H162 | C16 | C17 | H172 | 167.2° | 180.0° |
C18 | C17 | H171 | H172 | 117.6° | 120.0° |
C17 | C18 | C19 | H181 | 125.2° | 120.0° |
C17 | C18 | C19 | H182 | 125.2° | 120.0° |
C17 | C18 | H181 | H182 | 118.2° | 120.0° |
C17 | C18 | C19 | C20 | 105.2° | NaN° |
C17 | C18 | C19 | H191 | 20.1° | 60.0° |
C17 | C18 | C19 | H192 | 129.5° | 60.0° |
H171 | C17 | C18 | C19 | 115.8° | 60.0° |
H171 | C17 | C18 | H181 | 118.9° | 180.0° |
H171 | C17 | C18 | H182 | 9.5° | 60.0° |
H172 | C17 | C18 | C19 | 6.4° | 60.0° |
H172 | C17 | C18 | H181 | 131.7° | 60.0° |
H172 | C17 | C18 | H182 | 118.9° | 180.0° |
C19 | C18 | H181 | H182 | 118.3° | 119.9° |
C18 | C19 | C20 | H191 | 125.2° | 120.0° |
C18 | C19 | C20 | H192 | 125.3° | 120.0° |
C18 | C19 | H191 | H192 | 118.2° | 119.9° |
C18 | C19 | C20 | C21 | 167.4° | 180.0° |
C18 | C19 | C20 | H201 | 67.3° | 60.0° |
C18 | C19 | C20 | H202 | 42.2° | 60.0° |
H181 | C18 | C19 | C20 | 129.6° | 60.0° |
H181 | C18 | C19 | H191 | 105.2° | 180.0° |
H181 | C18 | C19 | H192 | 4.3° | 60.1° |
H182 | C18 | C19 | C20 | 20.0° | 60.0° |
H182 | C18 | C19 | H191 | 145.3° | 60.1° |
H182 | C18 | C19 | H192 | 105.2° | 180.0° |
C20 | C19 | H191 | H192 | 118.1° | 120.0° |
C19 | C20 | C21 | H201 | 125.3° | 120.0° |
C19 | C20 | C21 | H202 | 125.2° | 120.0° |
C19 | C20 | H201 | H202 | 118.3° | 120.0° |
C19 | C20 | C21 | C22 | 175.5° | 180.0° |
C19 | C20 | C21 | H211 | 59.2° | 60.0° |
C19 | C20 | C21 | H212 | 50.3° | 60.0° |
H191 | C19 | C20 | C21 | 42.2° | 60.0° |
H191 | C19 | C20 | H201 | 167.5° | 180.0° |
H191 | C19 | C20 | H202 | 83.0° | 60.0° |
H192 | C19 | C20 | C21 | 67.3° | 60.0° |
H192 | C19 | C20 | H201 | 58.0° | 60.0° |
H192 | C19 | C20 | H202 | 167.5° | 180.0° |
C21 | C20 | H201 | H202 | 118.2° | 120.0° |
C20 | C21 | C22 | H211 | 125.3° | 120.0° |
C20 | C21 | C22 | H212 | 125.3° | 120.0° |
C20 | C21 | H211 | H212 | 118.3° | 120.0° |
C20 | C21 | C22 | C23 | 166.1° | 180.0° |
C20 | C21 | C22 | H221 | 68.7° | 60.0° |
C20 | C21 | C22 | H222 | 40.9° | 59.9° |
H201 | C20 | C21 | C22 | 50.3° | 60.0° |
H201 | C20 | C21 | H211 | 175.5° | NaN° |
H201 | C20 | C21 | H212 | 75.0° | 60.0° |
H202 | C20 | C21 | C22 | 59.2° | 60.0° |
H202 | C20 | C21 | H211 | 66.1° | 60.0° |
H202 | C20 | C21 | H212 | 175.5° | 180.0° |
C22 | C21 | H211 | H212 | 118.2° | 119.9° |
C21 | C22 | C23 | H221 | 125.3° | 120.0° |
C21 | C22 | C23 | H222 | 125.2° | 120.0° |
C21 | C22 | H221 | H222 | 118.4° | 120.0° |
C21 | C22 | C23 | C24 | 179.9° | 180.0° |
C21 | C22 | C23 | H231 | 54.9° | 60.0° |
C21 | C22 | C23 | H232 | 54.6° | 60.0° |
H211 | C21 | C22 | C23 | 40.8° | 60.0° |
H211 | C21 | C22 | H221 | 166.1° | 180.0° |
H211 | C21 | C22 | H222 | 84.4° | 60.1° |
H212 | C21 | C22 | C23 | 68.6° | 60.0° |
H212 | C21 | C22 | H221 | 56.6° | 60.0° |
H212 | C21 | C22 | H222 | 166.2° | 180.0° |
C23 | C22 | H221 | H222 | 118.3° | 120.0° |
C22 | C23 | C24 | H231 | 125.3° | 120.0° |
C22 | C23 | C24 | H232 | 125.3° | 120.0° |
C22 | C23 | H231 | H232 | 118.0° | 120.0° |
C22 | C23 | C24 | C25 | 162.9° | 180.0° |
C22 | C23 | C24 | H241 | 71.9° | 60.0° |
C22 | C23 | C24 | H242 | 37.7° | 60.0° |
H221 | C22 | C23 | C24 | 54.6° | 60.0° |
H221 | C22 | C23 | H231 | 179.9° | 179.9° |
H221 | C22 | C23 | H232 | 70.7° | 60.0° |
H222 | C22 | C23 | C24 | 54.9° | 60.0° |
H222 | C22 | C23 | H231 | 70.4° | 60.1° |
H222 | C22 | C23 | H232 | 179.8° | 180.0° |
C24 | C23 | H231 | H232 | 117.9° | 120.0° |
C23 | C24 | C25 | H241 | 125.3° | 120.0° |
C23 | C24 | C25 | H242 | 125.3° | 120.0° |
C23 | C24 | H241 | H242 | 118.5° | 120.1° |
C23 | C24 | C25 | H251 | 180.0° | 180.0° |
C23 | C24 | C25 | H252 | 54.7° | 60.0° |
C23 | C24 | C25 | H253 | 54.7° | 60.1° |
H231 | C23 | C24 | C25 | 37.6° | 60.0° |
H231 | C23 | C24 | H241 | 162.8° | 180.0° |
H231 | C23 | C24 | H242 | 87.6° | 60.0° |
H232 | C23 | C24 | C25 | 71.8° | 60.0° |
H232 | C23 | C24 | H241 | 53.5° | 59.9° |
H232 | C23 | C24 | H242 | 163.0° | 180.0° |
C25 | C24 | H241 | H242 | 118.4° | 120.0° |
C24 | C25 | H251 | H252 | 125.3° | 120.1° |
C24 | C25 | H251 | H253 | 125.3° | 119.9° |
C24 | C25 | H252 | H253 | 118.5° | 120.0° |
H241 | C24 | C25 | H251 | 54.7° | 60.1° |
H241 | C24 | C25 | H252 | 180.0° | 60.0° |
H241 | C24 | C25 | H253 | 70.6° | 180.0° |
H242 | C24 | C25 | H251 | 54.7° | 60.0° |
H242 | C24 | C25 | H252 | 70.5° | 180.0° |
H242 | C24 | C25 | H253 | 180.0° | 60.0° |
H251 | C25 | H252 | H253 | 118.5° | 120.0° |
C32 | C31 | O2 | O31 | 179.3° | 179.9° |
C31 | C32 | C33 | H321 | 125.2° | 120.0° |
C31 | C32 | C33 | H322 | 125.2° | 120.0° |
C31 | C32 | H321 | H322 | 118.4° | 120.0° |
C31 | C32 | C33 | C34 | 114.4° | 180.0° |
C31 | C32 | C33 | H331 | 120.3° | 60.0° |
C31 | C32 | C33 | H332 | 10.9° | 59.9° |
O2 | C31 | C32 | C33 | 111.8° | 180.0° |
O2 | C31 | C32 | H321 | 123.0° | 60.0° |
O2 | C31 | C32 | H322 | 13.5° | 60.0° |
O31 | C31 | C32 | C33 | 67.5° | 0.1° |
O31 | C31 | C32 | H321 | 57.8° | 120.1° |
O31 | C31 | C32 | H322 | 167.2° | 119.9° |
C33 | C32 | H321 | H322 | 118.5° | 120.0° |
C32 | C33 | C34 | H331 | 125.3° | 120.0° |
C32 | C33 | C34 | H332 | 125.2° | 120.0° |
C32 | C33 | H331 | H332 | 117.8° | 120.0° |
C32 | C33 | C34 | C35 | 137.6° | 180.0° |
C32 | C33 | C34 | H341 | 97.2° | 60.0° |
C32 | C33 | C34 | H342 | 12.3° | 60.0° |
H321 | C32 | C33 | C34 | 10.8° | 60.0° |
H321 | C32 | C33 | H331 | 114.5° | 180.0° |
H321 | C32 | C33 | H332 | 136.1° | 60.0° |
H322 | C32 | C33 | C34 | 120.4° | 60.0° |
H322 | C32 | C33 | H331 | 4.9° | 60.0° |
H322 | C32 | C33 | H332 | 114.3° | 179.9° |
C34 | C33 | H331 | H332 | 117.8° | 120.0° |
C33 | C34 | C35 | H341 | 125.2° | 120.0° |
C33 | C34 | C35 | H342 | 125.2° | 120.1° |
C33 | C34 | H341 | H342 | 118.2° | 120.0° |
C33 | C34 | C35 | C36 | 146.3° | 180.0° |
C33 | C34 | C35 | H351 | 88.4° | 60.0° |
C33 | C34 | C35 | H352 | 21.1° | 60.0° |
H331 | C33 | C34 | C35 | 12.3° | 60.0° |
H331 | C33 | C34 | H341 | 137.5° | 180.0° |
H331 | C33 | C34 | H342 | 113.0° | 60.0° |
H332 | C33 | C34 | C35 | 97.2° | 60.0° |
H332 | C33 | C34 | H341 | 28.0° | 60.0° |
H332 | C33 | C34 | H342 | 137.5° | NaN° |
C35 | C34 | H341 | H342 | 118.3° | 120.0° |
C34 | C35 | C36 | H351 | 125.3° | 120.0° |
C34 | C35 | C36 | H352 | 125.2° | 120.0° |
C34 | C35 | H351 | H352 | 117.9° | 120.0° |
C34 | C35 | C36 | C37 | 148.3° | 180.0° |
C34 | C35 | C36 | H361 | 86.4° | 60.0° |
C34 | C35 | C36 | H362 | 23.0° | 60.0° |
H341 | C34 | C35 | C36 | 21.1° | 60.0° |
H341 | C34 | C35 | H351 | 146.4° | 180.0° |
H341 | C34 | C35 | H352 | 104.2° | 60.0° |
H342 | C34 | C35 | C36 | 88.4° | 60.0° |
H342 | C34 | C35 | H351 | 36.8° | 60.0° |
H342 | C34 | C35 | H352 | 146.3° | 179.9° |
C36 | C35 | H351 | H352 | 118.0° | 120.0° |
C35 | C36 | C37 | H361 | 125.3° | 120.0° |
C35 | C36 | C37 | H362 | 125.3° | 120.0° |
C35 | C36 | H361 | H362 | 118.3° | 120.0° |
C35 | C36 | C37 | C38 | 180.0° | 180.0° |
C35 | C36 | C37 | H371 | 54.7° | 60.0° |
C35 | C36 | C37 | H372 | 54.8° | 60.0° |
H351 | C35 | C36 | C37 | 23.1° | 60.0° |
H351 | C35 | C36 | H361 | 148.4° | NaN° |
H351 | C35 | C36 | H362 | 102.2° | 59.9° |
H352 | C35 | C36 | C37 | 86.4° | 60.0° |
H352 | C35 | C36 | H361 | 38.9° | 59.9° |
H352 | C35 | C36 | H362 | 148.3° | 180.0° |
C37 | C36 | H361 | H362 | 118.3° | 120.0° |
C36 | C37 | C38 | H371 | 125.2° | 120.0° |
C36 | C37 | C38 | H372 | 125.2° | 120.0° |
C36 | C37 | H371 | H372 | 117.8° | 120.0° |
C36 | C37 | C38 | C39 | 93.1° | 179.9° |
C36 | C37 | C38 | H381 | 141.6° | 60.0° |
C36 | C37 | C38 | H382 | 32.2° | 60.0° |
H361 | C36 | C37 | C38 | 54.8° | 60.0° |
H361 | C36 | C37 | H371 | 180.0° | 180.0° |
H361 | C36 | C37 | H372 | 70.5° | 60.0° |
H362 | C36 | C37 | C38 | 54.7° | 60.0° |
H362 | C36 | C37 | H371 | 70.6° | 60.0° |
H362 | C36 | C37 | H372 | 180.0° | 180.0° |
C38 | C37 | H371 | H372 | 117.9° | 120.0° |
C37 | C38 | C39 | H381 | 125.3° | 120.1° |
C37 | C38 | C39 | H382 | 125.2° | 120.0° |
C37 | C38 | H381 | H382 | 117.9° | 120.0° |
C37 | C38 | C39 | C40 | 144.4° | 180.0° |
C37 | C38 | C39 | H391 | 90.3° | 60.0° |
C37 | C38 | C39 | H392 | 19.1° | 60.0° |
H371 | C37 | C38 | C39 | 32.1° | 59.9° |
H371 | C37 | C38 | H381 | 93.2° | 180.0° |
H371 | C37 | C38 | H382 | 157.4° | 60.0° |
H372 | C37 | C38 | C39 | 141.6° | 60.0° |
H372 | C37 | C38 | H381 | 16.3° | 60.1° |
H372 | C37 | C38 | H382 | 93.1° | 180.0° |
C39 | C38 | H381 | H382 | 118.0° | 120.0° |
C38 | C39 | C40 | H391 | 125.3° | 120.1° |
C38 | C39 | C40 | H392 | 125.3° | 119.9° |
C38 | C39 | H391 | H392 | 118.0° | 120.0° |
C38 | C39 | C40 | H401 | 180.0° | 60.0° |
C38 | C39 | C40 | H402 | 54.7° | 60.1° |
C38 | C39 | C40 | H403 | 54.7° | 179.9° |
H381 | C38 | C39 | C40 | 19.1° | 59.9° |
H381 | C38 | C39 | H391 | 144.4° | 179.9° |
H381 | C38 | C39 | H392 | 106.2° | 60.0° |
H382 | C38 | C39 | C40 | 90.4° | 60.0° |
H382 | C38 | C39 | H391 | 34.9° | 60.0° |
H382 | C38 | C39 | H392 | 144.3° | 180.0° |
C40 | C39 | H391 | H392 | 118.1° | 120.0° |
C39 | C40 | H401 | H402 | 125.2° | 120.0° |
C39 | C40 | H401 | H403 | 125.3° | 119.9° |
C39 | C40 | H402 | H403 | 118.0° | 120.0° |
H391 | C39 | C40 | H401 | 54.7° | 180.0° |
H391 | C39 | C40 | H402 | 179.9° | 60.0° |
H391 | C39 | C40 | H403 | 70.6° | 60.0° |
H392 | C39 | C40 | H401 | 54.7° | 59.9° |
H392 | C39 | C40 | H402 | 70.6° | 180.0° |
H392 | C39 | C40 | H403 | 179.9° | 60.0° |
H401 | C40 | H402 | H403 | 118.2° | 120.0° |
O1P | P | O2P | O3P | 120.9° | 120.1° |
O1P | P | O2P | O4P | 119.1° | 120.0° |
O1P | P | O3P | O4P | 121.5° | 120.0° |
HOP1 | O1P | P | O2P | 179.9° | 180.0° |
HOP1 | O1P | P | O3P | 61.1° | 60.0° |
HOP1 | O1P | P | O4P | 61.1° | 60.0° |
O2P | P | O3P | O4P | 119.0° | 120.0° |