JH0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C | doub | 1.23Å | 1.23Å | |
C | C12 | sing | 1.52Å | 1.53Å | |
C | N | sing | 1.37Å | 1.36Å | |
C12 | C13 | sing | 1.53Å | 1.54Å | |
C12 | H121 | sing | 1.10Å | 1.10Å | |
C12 | H122 | sing | 1.10Å | 1.10Å | |
C13 | C14 | sing | 1.53Å | 1.54Å | |
C13 | H131 | sing | 1.10Å | 1.10Å | |
C13 | H132 | sing | 1.10Å | 1.10Å | |
C14 | C15 | sing | 1.53Å | 1.54Å | |
C14 | H141 | sing | 1.10Å | 1.10Å | |
C14 | H142 | sing | 1.10Å | 1.10Å | |
C15 | C16 | sing | 1.53Å | 1.54Å | |
C15 | H151 | sing | 1.10Å | 1.10Å | |
C15 | H152 | sing | 1.09Å | 1.10Å | |
C16 | C17 | sing | 1.53Å | 1.54Å | |
C16 | H161 | sing | 1.10Å | 1.10Å | |
C16 | H162 | sing | 1.10Å | 1.10Å | |
C17 | C18 | sing | 1.53Å | 1.55Å | |
C17 | H171 | sing | 1.10Å | 1.10Å | |
C17 | H172 | sing | 1.10Å | 1.10Å | |
C18 | C19 | sing | 1.53Å | 1.53Å | |
C18 | H181 | sing | 1.10Å | 1.10Å | |
C18 | H182 | sing | 1.10Å | 1.10Å | |
C19 | C20 | sing | 1.53Å | 1.53Å | |
C19 | H191 | sing | 1.10Å | 1.10Å | |
C19 | H192 | sing | 1.10Å | 1.10Å | |
C20 | C21 | sing | 1.53Å | 1.54Å | |
C20 | H201 | sing | 1.10Å | 1.10Å | |
C20 | H202 | sing | 1.09Å | 1.10Å | |
C21 | C22 | sing | 1.53Å | 1.54Å | |
C21 | H211 | sing | 1.10Å | 1.10Å | |
C21 | H212 | sing | 1.10Å | 1.10Å | |
C22 | C23 | sing | 1.53Å | 1.53Å | |
C22 | H221 | sing | 1.10Å | 1.10Å | |
C22 | H222 | sing | 1.10Å | 1.10Å | |
C23 | C24 | sing | 1.53Å | 1.55Å | |
C23 | H231 | sing | 1.10Å | 1.10Å | |
C23 | H232 | sing | 1.10Å | 1.10Å | |
C24 | C25 | sing | 1.53Å | 1.54Å | |
C24 | H241 | sing | 1.10Å | 1.10Å | |
C24 | H242 | sing | 1.10Å | 1.10Å | |
C25 | C26 | sing | 1.52Å | 1.53Å | |
C25 | H251 | sing | 1.10Å | 1.10Å | |
C25 | H252 | sing | 1.10Å | 1.10Å | |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C26 | H262 | sing | 1.09Å | 1.10Å | |
C26 | H263 | sing | 1.09Å | 1.10Å | |
N | ON1 | sing | 1.40Å | 1.40Å | |
N | C1 | sing | 1.45Å | 1.47Å | |
ON1 | HN1 | sing | 0.97Å | 0.95Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | H21 | sing | 1.10Å | 1.10Å | |
C2 | H22 | sing | 1.10Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | H31 | sing | 1.10Å | 1.10Å | |
C3 | H32 | sing | 1.10Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | H41A | sing | 1.10Å | 1.10Å | |
C4 | H42A | sing | 1.10Å | 1.10Å | |
C5 | N2 | sing | 1.44Å | 1.46Å | |
C5 | C6 | sing | 1.52Å | 1.52Å | |
C5 | H5 | sing | 1.10Å | 1.10Å | |
N2 | C11 | sing | 1.38Å | 1.34Å | |
N2 | HN2 | sing | 1.02Å | 1.00Å | |
C11 | O3 | doub | 1.23Å | 1.22Å | |
C11 | C39 | sing | 1.49Å | 1.52Å | |
C39 | N4 | sing | 1.47Å | 1.48Å | |
C39 | C37 | sing | 1.51Å | 1.55Å | |
C39 | H39 | sing | 1.09Å | 1.10Å | |
N4 | C38 | doub | 1.30Å | 1.26Å | |
C38 | O6 | sing | 1.35Å | 1.44Å | |
C38 | C45 | sing | 1.44Å | 1.50Å | |
O6 | C37 | sing | 1.42Å | 1.43Å | |
C37 | H371 | sing | 1.10Å | 1.10Å | |
C37 | H372 | sing | 1.09Å | 1.10Å | |
C45 | C44 | doub | 1.40Å | 1.41Å | Aromatic |
C45 | C40 | sing | 1.40Å | 1.40Å | Aromatic |
C44 | C43 | sing | 1.40Å | 1.40Å | Aromatic |
C44 | H44 | sing | 1.09Å | 1.08Å | |
C43 | C42 | doub | 1.39Å | 1.40Å | Aromatic |
C43 | H43 | sing | 1.09Å | 1.08Å | |
C42 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
C42 | H42 | sing | 1.09Å | 1.08Å | |
C41 | C40 | doub | 1.40Å | 1.40Å | Aromatic |
C41 | H41 | sing | 1.09Å | 1.08Å | |
C40 | O7 | sing | 1.36Å | 1.34Å | |
O7 | HO7 | sing | 0.97Å | 0.95Å | |
C6 | O | doub | 1.23Å | 1.22Å | |
C6 | O1 | sing | 1.36Å | 1.47Å | |
O1 | C7 | sing | 1.43Å | 1.44Å | |
C7 | C9 | sing | 1.52Å | 1.52Å | |
C7 | C8 | sing | 1.53Å | 1.52Å | |
C7 | H7 | sing | 1.10Å | 1.10Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.10Å | 1.10Å | |
C9 | H93 | sing | 1.10Å | 1.10Å | |
C8 | C10 | sing | 1.52Å | 1.51Å | |
C8 | H81 | sing | 1.10Å | 1.10Å | |
C8 | H82 | sing | 1.10Å | 1.10Å | |
C10 | O2 | doub | 1.23Å | 1.21Å | |
C10 | N1 | sing | 1.39Å | 1.34Å | |
N1 | C35 | sing | 1.44Å | 1.47Å | |
N1 | H1 | sing | 1.02Å | 1.00Å | |
C35 | C36 | sing | 1.52Å | 1.52Å | |
C35 | C34 | sing | 1.53Å | 1.54Å | |
C35 | H35 | sing | 1.10Å | 1.10Å | |
C36 | O5 | doub | 1.24Å | 1.22Å | |
C36 | N3 | sing | 1.37Å | 1.34Å | |
C34 | C33 | sing | 1.53Å | 1.53Å | |
C34 | H341 | sing | 1.10Å | 1.10Å | |
C34 | H342 | sing | 1.10Å | 1.10Å | |
C33 | C32 | sing | 1.52Å | 1.52Å | |
C33 | H331 | sing | 1.10Å | 1.10Å | |
C33 | H332 | sing | 1.10Å | 1.10Å | |
C32 | C31 | sing | 1.52Å | 1.54Å | |
C32 | H321 | sing | 1.10Å | 1.10Å | |
C32 | H322 | sing | 1.10Å | 1.10Å | |
C31 | N3 | sing | 1.45Å | 1.47Å | |
C31 | H311 | sing | 1.10Å | 1.10Å | |
C31 | H312 | sing | 1.09Å | 1.10Å | |
N3 | ON2 | sing | 1.41Å | 1.36Å | |
ON2 | SI70 | sing | 1.67Å | 1.79Å | |
SI70 | C27 | sing | 1.86Å | 67.42Å | |
SI70 | C46 | sing | 1.88Å | 67.42Å | |
SI70 | C47 | sing | 1.88Å | 67.42Å | |
C27 | C28 | sing | 1.55Å | 0.00Å | |
C27 | C29 | sing | 1.54Å | 0.00Å | |
C27 | C30 | sing | 1.55Å | 0.00Å | |
C28 | H281 | sing | 1.10Å | 0.00Å | |
C28 | H282 | sing | 1.10Å | 0.00Å | |
C28 | H283 | sing | 1.10Å | 0.00Å | |
C29 | H291 | sing | 1.10Å | 0.00Å | |
C29 | H292 | sing | 1.10Å | 0.00Å | |
C29 | H293 | sing | 1.10Å | 0.00Å | |
C30 | H301 | sing | 1.10Å | 0.00Å | |
C30 | H302 | sing | 1.10Å | 0.00Å | |
C30 | H303 | sing | 1.10Å | 0.00Å | |
C46 | C51 | doub | 1.39Å | 0.00Å | Aromatic |
C46 | C52 | sing | 1.39Å | 0.00Å | Aromatic |
C47 | C53 | doub | 1.38Å | 0.00Å | Aromatic |
C47 | C57 | sing | 1.38Å | 0.00Å | Aromatic |
C48 | C49 | sing | 1.39Å | 0.00Å | Aromatic |
C48 | C52 | doub | 1.39Å | 0.00Å | Aromatic |
C48 | H48 | sing | 1.09Å | 0.00Å | |
C49 | C50 | doub | 1.39Å | 0.00Å | Aromatic |
C49 | H49 | sing | 1.09Å | 0.00Å | |
C50 | C51 | sing | 1.40Å | 0.00Å | Aromatic |
C50 | H50 | sing | 1.09Å | 0.00Å | |
C51 | H51 | sing | 1.09Å | 0.00Å | |
C52 | H52 | sing | 1.09Å | 0.00Å | |
C53 | C54 | sing | 1.40Å | 0.00Å | Aromatic |
C53 | H53 | sing | 1.09Å | 0.00Å | |
C54 | C55 | doub | 1.39Å | 0.00Å | Aromatic |
C54 | H54 | sing | 1.09Å | 0.00Å | |
C55 | C56 | sing | 1.39Å | 0.00Å | Aromatic |
C55 | H55 | sing | 1.09Å | 0.00Å | |
C56 | C57 | doub | 1.40Å | 0.00Å | Aromatic |
C56 | H56 | sing | 1.09Å | 0.00Å | |
C57 | H57 | sing | 1.09Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C | C12 | 119.9° | 119.8° |
O4 | C | N | 121.2° | 123.5° |
C12 | C | N | 119.0° | 116.6° |
C | C12 | C13 | 114.5° | 112.6° |
C | C12 | H121 | 107.8° | 108.3° |
C | C12 | H122 | 106.7° | 109.2° |
C | N | ON1 | 117.1° | 123.8° |
C | N | C1 | 129.0° | 123.8° |
C13 | C12 | H121 | 107.8° | 110.4° |
C13 | C12 | H122 | 106.7° | 109.9° |
C12 | C13 | C14 | 110.1° | 112.6° |
C12 | C13 | H131 | 109.3° | 110.6° |
C12 | C13 | H132 | 109.2° | 108.3° |
H121 | C12 | H122 | 113.5° | 106.2° |
C14 | C13 | H131 | 109.3° | 109.3° |
C14 | C13 | H132 | 109.1° | 109.0° |
C13 | C14 | C15 | 113.5° | 111.2° |
C13 | C14 | H141 | 108.2° | 109.9° |
C13 | C14 | H142 | 107.2° | 109.5° |
H131 | C13 | H132 | 109.9° | 106.9° |
C15 | C14 | H141 | 108.1° | 109.2° |
C15 | C14 | H142 | 107.2° | 109.6° |
C14 | C15 | C16 | 114.6° | 111.2° |
C14 | C15 | H151 | 107.8° | 109.5° |
C14 | C15 | H152 | 106.6° | 109.0° |
H141 | C14 | H142 | 112.7° | 107.2° |
C16 | C15 | H151 | 107.8° | 109.6° |
C16 | C15 | H152 | 106.6° | 110.1° |
C15 | C16 | C17 | 112.9° | 113.5° |
C15 | C16 | H161 | 108.4° | 109.8° |
C15 | C16 | H162 | 107.6° | 108.9° |
H151 | C15 | H152 | 113.6° | 107.3° |
C17 | C16 | H161 | 108.3° | 109.7° |
C17 | C16 | H162 | 107.6° | 108.1° |
C16 | C17 | C18 | 114.5° | 113.4° |
C16 | C17 | H171 | 107.8° | 109.6° |
C16 | C17 | H172 | 106.7° | 107.5° |
H161 | C16 | H162 | 112.2° | 106.7° |
C18 | C17 | H171 | 107.8° | 109.8° |
C18 | C17 | H172 | 106.7° | 109.5° |
C17 | C18 | C19 | 113.5° | 113.3° |
C17 | C18 | H181 | 108.1° | 109.5° |
C17 | C18 | H182 | 107.2° | 109.8° |
H171 | C17 | H172 | 113.5° | 106.8° |
C19 | C18 | H181 | 108.2° | 107.5° |
C19 | C18 | H182 | 107.2° | 109.7° |
C18 | C19 | C20 | 115.3° | 113.4° |
C18 | C19 | H191 | 107.5° | 108.1° |
C18 | C19 | H192 | 106.2° | 109.1° |
H181 | C18 | H182 | 112.7° | 106.8° |
C20 | C19 | H191 | 107.6° | 108.9° |
C20 | C19 | H192 | 106.2° | 110.3° |
C19 | C20 | C21 | 111.3° | 113.2° |
C19 | C20 | H201 | 108.9° | 109.1° |
C19 | C20 | H202 | 108.5° | 110.4° |
H191 | C19 | H192 | 114.2° | 106.8° |
C21 | C20 | H201 | 108.9° | 108.0° |
C21 | C20 | H202 | 108.4° | 109.5° |
C20 | C21 | C22 | 114.0° | 115.6° |
C20 | C21 | H211 | 108.0° | 108.5° |
C20 | C21 | H212 | 107.0° | 108.8° |
H201 | C20 | H202 | 110.9° | 106.4° |
C22 | C21 | H211 | 108.0° | 109.4° |
C22 | C21 | H212 | 107.0° | 108.2° |
C21 | C22 | C23 | 115.8° | 115.7° |
C21 | C22 | H221 | 107.4° | 108.2° |
C21 | C22 | H222 | 106.0° | 109.3° |
H211 | C21 | H212 | 113.0° | 105.8° |
C23 | C22 | H221 | 107.4° | 108.8° |
C23 | C22 | H222 | 106.0° | 108.5° |
C22 | C23 | C24 | 114.3° | 113.4° |
C22 | C23 | H231 | 107.9° | 110.1° |
C22 | C23 | H232 | 106.8° | 108.0° |
H221 | C22 | H222 | 114.5° | 105.8° |
C24 | C23 | H231 | 107.9° | 109.9° |
C24 | C23 | H232 | 106.8° | 109.0° |
C23 | C24 | C25 | 111.5° | 111.2° |
C23 | C24 | H241 | 108.8° | 109.6° |
C23 | C24 | H242 | 108.4° | 110.1° |
H231 | C23 | H232 | 113.3° | 106.2° |
C25 | C24 | H241 | 108.8° | 109.6° |
C25 | C24 | H242 | 108.3° | 109.0° |
C24 | C25 | C26 | 117.2° | 111.5° |
C24 | C25 | H251 | 107.0° | 109.9° |
C24 | C25 | H252 | 105.2° | 109.9° |
H241 | C24 | H242 | 111.0° | 107.2° |
C26 | C25 | H251 | 107.0° | 109.1° |
C26 | C25 | H252 | 105.2° | 109.1° |
C25 | C26 | H261 | 109.5° | 111.0° |
C25 | C26 | H262 | 109.4° | 110.3° |
C25 | C26 | H263 | 109.5° | 111.0° |
H251 | C25 | H252 | 115.7° | 107.2° |
H261 | C26 | H262 | 109.5° | 108.1° |
H261 | C26 | H263 | 109.5° | 108.3° |
H262 | C26 | H263 | 109.5° | 108.1° |
ON1 | N | C1 | 113.9° | 112.4° |
N | ON1 | HN1 | 109.5° | 100.5° |
N | C1 | C2 | 108.3° | 112.9° |
N | C1 | H11 | 109.9° | 106.8° |
N | C1 | H12 | 110.1° | 107.8° |
C2 | C1 | H11 | 109.8° | 109.7° |
C2 | C1 | H12 | 110.1° | 111.4° |
C1 | C2 | C3 | 117.5° | 112.8° |
C1 | C2 | H21 | 106.9° | 108.4° |
C1 | C2 | H22 | 105.0° | 109.9° |
H11 | C1 | H12 | 108.6° | 108.1° |
C3 | C2 | H21 | 106.9° | 108.9° |
C3 | C2 | H22 | 105.0° | 109.6° |
C2 | C3 | C4 | 116.8° | 111.2° |
C2 | C3 | H31 | 107.1° | 109.5° |
C2 | C3 | H32 | 105.4° | 109.8° |
H21 | C2 | H22 | 116.0° | 107.1° |
C4 | C3 | H31 | 107.1° | 109.5° |
C4 | C3 | H32 | 105.4° | 109.7° |
C3 | C4 | C5 | 116.9° | 112.6° |
C3 | C4 | H41A | 107.1° | 109.5° |
C3 | C4 | H42A | 105.3° | 108.7° |
H31 | C3 | H32 | 115.5° | 107.2° |
C5 | C4 | H41A | 107.1° | 109.8° |
C5 | C4 | H42A | 105.4° | 109.6° |
C4 | C5 | N2 | 117.4° | 111.0° |
C4 | C5 | C6 | 113.6° | 110.0° |
C4 | C5 | H5 | 99.4° | 111.0° |
H41A | C4 | H42A | 115.4° | 106.4° |
N2 | C5 | C6 | 106.3° | 111.2° |
N2 | C5 | H5 | 107.8° | 106.5° |
C5 | N2 | C11 | 129.3° | 123.3° |
C5 | N2 | HN2 | 115.4° | 118.3° |
C6 | C5 | H5 | 112.1° | 106.9° |
C5 | C6 | O | 121.7° | 122.7° |
C5 | C6 | O1 | 119.9° | 112.3° |
C11 | N2 | HN2 | 115.3° | 118.4° |
N2 | C11 | O3 | 124.6° | 126.3° |
N2 | C11 | C39 | 117.9° | 114.2° |
O3 | C11 | C39 | 117.4° | 119.5° |
C11 | C39 | N4 | 112.1° | 106.7° |
C11 | C39 | C37 | 119.7° | 112.4° |
C11 | C39 | H39 | 98.0° | 108.7° |
N4 | C39 | C37 | 101.3° | 105.3° |
N4 | C39 | H39 | 117.4° | 111.7° |
C39 | N4 | C38 | 113.8° | 103.9° |
C37 | C39 | H39 | 109.4° | 111.9° |
C39 | C37 | O6 | 105.8° | 104.4° |
C39 | C37 | H371 | 110.7° | 111.8° |
C39 | C37 | H372 | 111.5° | 113.7° |
N4 | C38 | O6 | 111.1° | 119.2° |
N4 | C38 | C45 | 125.2° | 127.6° |
O6 | C38 | C45 | 123.7° | 113.2° |
C38 | O6 | C37 | 107.9° | 104.8° |
C38 | C45 | C44 | 117.8° | 119.6° |
C38 | C45 | C40 | 121.9° | 121.4° |
O6 | C37 | H371 | 110.7° | 108.2° |
O6 | C37 | H372 | 111.5° | 109.7° |
H371 | C37 | H372 | 106.7° | 108.9° |
C44 | C45 | C40 | 120.3° | 119.0° |
C45 | C44 | C43 | 120.6° | 120.5° |
C45 | C44 | H44 | 119.7° | 120.2° |
C45 | C40 | C41 | 118.8° | 120.5° |
C45 | C40 | O7 | 121.5° | 120.4° |
C43 | C44 | H44 | 119.7° | 119.4° |
C44 | C43 | C42 | 119.1° | 120.0° |
C44 | C43 | H43 | 120.4° | 120.0° |
C42 | C43 | H43 | 120.4° | 120.0° |
C43 | C42 | C41 | 120.4° | 120.0° |
C43 | C42 | H42 | 119.8° | 120.0° |
C41 | C42 | H42 | 119.8° | 120.0° |
C42 | C41 | C40 | 120.7° | 120.0° |
C42 | C41 | H41 | 119.6° | 119.6° |
C40 | C41 | H41 | 119.6° | 120.4° |
C41 | C40 | O7 | 119.6° | 119.1° |
C40 | O7 | HO7 | 109.5° | 110.2° |
O | C6 | O1 | 118.4° | 125.0° |
C6 | O1 | C7 | 121.3° | 115.8° |
O1 | C7 | C9 | 114.5° | 108.6° |
O1 | C7 | C8 | 108.4° | 108.5° |
O1 | C7 | H7 | 107.4° | 108.0° |
C9 | C7 | C8 | 111.2° | 111.1° |
C9 | C7 | H7 | 104.3° | 109.7° |
C7 | C9 | H91 | 109.5° | 111.3° |
C7 | C9 | H92 | 109.5° | 110.5° |
C7 | C9 | H93 | 109.5° | 111.0° |
C8 | C7 | H7 | 111.0° | 110.8° |
C7 | C8 | C10 | 113.2° | 112.9° |
C7 | C8 | H81 | 108.3° | 110.2° |
C7 | C8 | H82 | 107.4° | 110.1° |
H91 | C9 | H92 | 109.4° | 108.5° |
H91 | C9 | H93 | 109.4° | 108.8° |
H92 | C9 | H93 | 109.5° | 106.7° |
C10 | C8 | H81 | 108.2° | 107.6° |
C10 | C8 | H82 | 107.5° | 107.4° |
C8 | C10 | O2 | 116.6° | 123.4° |
C8 | C10 | N1 | 118.4° | 111.5° |
H81 | C8 | H82 | 112.4° | 108.5° |
O2 | C10 | N1 | 124.8° | 125.1° |
C10 | N1 | C35 | 124.6° | 122.7° |
C10 | N1 | H1 | 117.7° | 119.4° |
C35 | N1 | H1 | 117.7° | 117.9° |
N1 | C35 | C36 | 115.6° | 109.2° |
N1 | C35 | C34 | 116.5° | 114.3° |
N1 | C35 | H35 | 98.9° | 104.6° |
C36 | C35 | C34 | 108.0° | 115.8° |
C36 | C35 | H35 | 109.2° | 105.4° |
C35 | C36 | O5 | 118.7° | 119.3° |
C35 | C36 | N3 | 118.8° | 117.6° |
C34 | C35 | H35 | 108.0° | 106.3° |
C35 | C34 | C33 | 118.9° | 116.5° |
C35 | C34 | H341 | 106.4° | 107.9° |
C35 | C34 | H342 | 104.3° | 109.4° |
O5 | C36 | N3 | 122.5° | 123.1° |
C36 | N3 | C31 | 125.8° | 131.4° |
C36 | N3 | ON2 | 117.1° | 114.6° |
C33 | C34 | H341 | 106.4° | 107.0° |
C33 | C34 | H342 | 104.2° | 109.2° |
C34 | C33 | C32 | 113.0° | 114.1° |
C34 | C33 | H331 | 108.3° | 110.5° |
C34 | C33 | H332 | 107.5° | 107.9° |
H341 | C34 | H342 | 117.2° | 106.4° |
C32 | C33 | H331 | 108.3° | 110.1° |
C32 | C33 | H332 | 107.5° | 107.8° |
C33 | C32 | C31 | 115.3° | 113.2° |
C33 | C32 | H321 | 107.6° | 110.0° |
C33 | C32 | H322 | 106.3° | 107.9° |
H331 | C33 | H332 | 112.3° | 106.0° |
C31 | C32 | H321 | 107.6° | 110.4° |
C31 | C32 | H322 | 106.3° | 108.3° |
C32 | C31 | N3 | 110.8° | 112.6° |
C32 | C31 | H311 | 109.0° | 109.0° |
C32 | C31 | H312 | 108.7° | 110.8° |
H321 | C32 | H322 | 114.1° | 106.8° |
N3 | C31 | H311 | 109.1° | 108.4° |
N3 | C31 | H312 | 108.8° | 108.2° |
C31 | N3 | ON2 | 117.0° | 112.4° |
H311 | C31 | H312 | 110.5° | 107.8° |
N3 | ON2 | SI70 | 120.5° | 111.9° |
ON2 | SI70 | C27 | 124.1° | 113.0° |
ON2 | SI70 | C46 | 124.1° | 107.8° |
ON2 | SI70 | C47 | 124.1° | 108.1° |
C27 | SI70 | C46 | NaN° | 113.6° |
C27 | SI70 | C47 | NaN° | 111.3° |
SI70 | C27 | C28 | 90.0° | 110.2° |
SI70 | C27 | C29 | 90.0° | 110.2° |
SI70 | C27 | C30 | 90.0° | 110.2° |
C46 | SI70 | C47 | NaN° | 102.4° |
SI70 | C46 | C51 | 90.0° | 119.4° |
SI70 | C46 | C52 | 90.0° | 119.4° |
SI70 | C47 | C53 | 90.0° | 119.3° |
SI70 | C47 | C57 | 90.0° | 119.3° |
C28 | C27 | C29 | 90.0° | 108.8° |
C28 | C27 | C30 | 90.0° | 108.8° |
C27 | C28 | H281 | 90.0° | 111.6° |
C27 | C28 | H282 | 90.0° | 110.9° |
C27 | C28 | H283 | 90.0° | 111.6° |
C29 | C27 | C30 | 90.0° | 108.8° |
C27 | C29 | H291 | 90.0° | 111.6° |
C27 | C29 | H292 | 90.0° | 111.5° |
C27 | C29 | H293 | 90.0° | 111.0° |
C27 | C30 | H301 | 90.0° | 111.5° |
C27 | C30 | H302 | 90.0° | 111.0° |
C27 | C30 | H303 | 90.0° | 111.5° |
H281 | C28 | H282 | 90.0° | 107.5° |
H281 | C28 | H283 | 90.0° | 107.6° |
H282 | C28 | H283 | 90.0° | 107.5° |
H291 | C29 | H292 | 90.0° | 107.6° |
H291 | C29 | H293 | 90.0° | 107.5° |
H292 | C29 | H293 | 90.0° | 107.5° |
H301 | C30 | H302 | 90.0° | 107.5° |
H301 | C30 | H303 | 90.0° | 107.6° |
H302 | C30 | H303 | 90.0° | 107.6° |
C51 | C46 | C52 | 90.0° | 121.2° |
C46 | C51 | C50 | 90.0° | 119.4° |
C46 | C51 | H51 | 90.0° | 122.1° |
C46 | C52 | C48 | 90.0° | 119.4° |
C46 | C52 | H52 | 90.0° | 122.1° |
C53 | C47 | C57 | 90.0° | 121.5° |
C47 | C53 | C54 | 90.0° | 119.3° |
C47 | C53 | H53 | 90.0° | 122.2° |
C47 | C57 | C56 | 90.0° | 119.3° |
C47 | C57 | H57 | 90.0° | 122.2° |
C49 | C48 | C52 | 90.0° | 120.0° |
C49 | C48 | H48 | 90.0° | 120.0° |
C48 | C49 | C50 | 90.0° | 120.0° |
C48 | C49 | H49 | 90.0° | 120.0° |
C52 | C48 | H48 | 90.0° | 120.0° |
C48 | C52 | H52 | 90.0° | 118.6° |
C50 | C49 | H49 | 90.0° | 120.0° |
C49 | C50 | C51 | 90.0° | 120.0° |
C49 | C50 | H50 | 90.0° | 120.0° |
C51 | C50 | H50 | 90.0° | 120.0° |
C50 | C51 | H51 | 90.0° | 118.5° |
C54 | C53 | H53 | 90.0° | 118.5° |
C53 | C54 | C55 | 90.0° | 120.0° |
C53 | C54 | H54 | 90.0° | 120.0° |
C55 | C54 | H54 | 90.0° | 120.0° |
C54 | C55 | C56 | 90.0° | 120.0° |
C54 | C55 | H55 | 90.0° | 120.0° |
C56 | C55 | H55 | 90.0° | 120.0° |
C55 | C56 | C57 | 90.0° | 120.0° |
C55 | C56 | H56 | 90.0° | 120.0° |
C57 | C56 | H56 | 90.0° | 120.0° |
C56 | C57 | H57 | 90.0° | 118.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C | C12 | N | 179.7° | 179.9° |
O4 | C | C12 | C13 | 2.6° | 30.1° |
O4 | C | C12 | H121 | 117.4° | 152.6° |
O4 | C | C12 | H122 | 120.4° | 92.2° |
O4 | C | N | ON1 | 3.2° | 180.0° |
O4 | C | N | C1 | 176.8° | 0.0° |
C | C12 | C13 | H121 | 120.0° | 121.2° |
C | C12 | C13 | H122 | 117.7° | 122.0° |
C | C12 | H121 | H122 | 117.9° | 117.1° |
C | C12 | C13 | C14 | 179.7° | 62.6° |
C | C12 | C13 | H131 | 60.3° | 60.0° |
C | C12 | C13 | H132 | 59.9° | 176.8° |
C12 | C | N | ON1 | 176.5° | 0.1° |
C12 | C | N | C1 | 3.5° | 179.9° |
N | C | C12 | C13 | 177.1° | 150.0° |
N | C | C12 | H121 | 62.9° | 27.5° |
N | C | C12 | H122 | 59.3° | 87.7° |
C | N | ON1 | C1 | 180.0° | 180.0° |
C | N | ON1 | HN1 | 15.5° | 91.9° |
C | N | C1 | C2 | 130.8° | 120.0° |
C | N | C1 | H11 | 109.3° | 119.5° |
C | N | C1 | H12 | 10.3° | 3.5° |
C13 | C12 | H121 | H122 | 118.0° | 119.1° |
C12 | C13 | C14 | H131 | 120.0° | 123.3° |
C12 | C13 | C14 | H132 | 119.8° | 120.2° |
C12 | C13 | H131 | H132 | 119.8° | 117.7° |
C12 | C13 | C14 | C15 | 162.2° | 178.9° |
C12 | C13 | C14 | H141 | 77.8° | 60.0° |
C12 | C13 | C14 | H142 | 44.0° | 57.6° |
H121 | C12 | C13 | C14 | 59.7° | 58.7° |
H121 | C12 | C13 | H131 | 179.7° | 178.7° |
H121 | C12 | C13 | H132 | 60.1° | 62.0° |
H122 | C12 | C13 | C14 | 62.6° | 175.5° |
H122 | C12 | C13 | H131 | 57.4° | 61.9° |
H122 | C12 | C13 | H132 | 177.7° | 54.8° |
C14 | C13 | H131 | H132 | 119.7° | 117.8° |
C13 | C14 | C15 | H141 | 120.0° | 121.5° |
C13 | C14 | C15 | H142 | 118.2° | 121.3° |
C13 | C14 | H141 | H142 | 118.3° | 119.0° |
C13 | C14 | C15 | C16 | 118.4° | 178.7° |
C13 | C14 | C15 | H151 | 1.6° | 60.0° |
C13 | C14 | C15 | H152 | 123.9° | 57.1° |
H131 | C13 | C14 | C15 | 42.2° | 57.8° |
H131 | C13 | C14 | H141 | 162.2° | 63.3° |
H131 | C13 | C14 | H142 | 76.0° | 179.1° |
H132 | C13 | C14 | C15 | 78.0° | 58.7° |
H132 | C13 | C14 | H141 | 42.0° | 179.8° |
H132 | C13 | C14 | H142 | 163.8° | 62.7° |
C15 | C14 | H141 | H142 | 118.3° | 118.7° |
C14 | C15 | C16 | H151 | 120.0° | 121.2° |
C14 | C15 | C16 | H152 | 117.7° | 120.9° |
C14 | C15 | H151 | H152 | 117.9° | 118.2° |
C14 | C15 | C16 | C17 | 161.7° | 176.9° |
C14 | C15 | C16 | H161 | 78.3° | 60.0° |
C14 | C15 | C16 | H162 | 43.2° | 56.5° |
H141 | C14 | C15 | C16 | 121.5° | 57.2° |
H141 | C14 | C15 | H151 | 118.4° | 178.5° |
H141 | C14 | C15 | H152 | 3.9° | 64.4° |
H142 | C14 | C15 | C16 | 0.2° | 60.0° |
H142 | C14 | C15 | H151 | 119.8° | 61.2° |
H142 | C14 | C15 | H152 | 117.9° | 178.4° |
C16 | C15 | H151 | H152 | 117.9° | 119.6° |
C15 | C16 | C17 | H161 | 120.0° | 123.2° |
C15 | C16 | C17 | H162 | 118.5° | 120.9° |
C15 | C16 | H161 | H162 | 118.6° | 117.9° |
C15 | C16 | C17 | C18 | 178.9° | 176.9° |
C15 | C16 | C17 | H171 | 58.9° | 60.0° |
C15 | C16 | C17 | H172 | 63.4° | 55.8° |
H151 | C15 | C16 | C17 | 41.7° | 55.7° |
H151 | C15 | C16 | H161 | 161.7° | 178.8° |
H151 | C15 | C16 | H162 | 76.8° | 64.7° |
H152 | C15 | C16 | C17 | 80.5° | 62.1° |
H152 | C15 | C16 | H161 | 39.4° | 61.0° |
H152 | C15 | C16 | H162 | 160.9° | 177.4° |
C17 | C16 | H161 | H162 | 118.6° | 116.8° |
C16 | C17 | C18 | H171 | 120.0° | 123.0° |
C16 | C17 | C18 | H172 | 117.8° | 120.0° |
C16 | C17 | H171 | H172 | 117.9° | 116.2° |
C16 | C17 | C18 | C19 | 104.9° | 180.0° |
C16 | C17 | C18 | H181 | 135.1° | 60.0° |
C16 | C17 | C18 | H182 | 13.3° | 57.0° |
H161 | C16 | C17 | C18 | 61.1° | 59.9° |
H161 | C16 | C17 | H171 | 178.9° | 63.2° |
H161 | C16 | C17 | H172 | 56.6° | 178.9° |
H162 | C16 | C17 | C18 | 60.4° | 56.0° |
H162 | C16 | C17 | H171 | 59.6° | 179.1° |
H162 | C16 | C17 | H172 | 178.1° | 65.1° |
C18 | C17 | H171 | H172 | 117.9° | 118.6° |
C17 | C18 | C19 | H181 | 120.0° | 121.2° |
C17 | C18 | C19 | H182 | 118.2° | 123.0° |
C17 | C18 | H181 | H182 | 118.4° | 118.8° |
C17 | C18 | C19 | C20 | 176.8° | 179.1° |
C17 | C18 | C19 | H191 | 63.2° | 60.0° |
C17 | C18 | C19 | H192 | 59.5° | 55.8° |
H171 | C17 | C18 | C19 | 15.1° | 57.0° |
H171 | C17 | C18 | H181 | 104.9° | 63.0° |
H171 | C17 | C18 | H182 | 133.3° | 180.0° |
H172 | C17 | C18 | C19 | 137.4° | 59.9° |
H172 | C17 | C18 | H181 | 17.4° | 180.0° |
H172 | C17 | C18 | H182 | 104.4° | 63.0° |
C19 | C18 | H181 | H182 | 118.4° | 117.7° |
C18 | C19 | C20 | H191 | 120.0° | 120.4° |
C18 | C19 | C20 | H192 | 117.4° | 122.7° |
C18 | C19 | H191 | H192 | 117.6° | 117.2° |
C18 | C19 | C20 | C21 | 160.1° | 179.6° |
C18 | C19 | C20 | H201 | 40.1° | 60.2° |
C18 | C19 | C20 | H202 | 80.7° | 56.4° |
H181 | C18 | C19 | C20 | 56.8° | 59.7° |
H181 | C18 | C19 | H191 | 176.8° | 61.2° |
H181 | C18 | C19 | H192 | 60.5° | 176.9° |
H182 | C18 | C19 | C20 | 65.0° | 56.1° |
H182 | C18 | C19 | H191 | 55.0° | 177.0° |
H182 | C18 | C19 | H192 | 177.7° | 67.3° |
C20 | C19 | H191 | H192 | 117.6° | 119.2° |
C19 | C20 | C21 | H201 | 120.0° | 120.9° |
C19 | C20 | C21 | H202 | 119.2° | 123.7° |
C19 | C20 | H201 | H202 | 119.3° | 119.1° |
C19 | C20 | C21 | C22 | 81.6° | 179.1° |
C19 | C20 | C21 | H211 | 38.4° | 57.5° |
C19 | C20 | C21 | H212 | 160.4° | 57.1° |
H191 | C19 | C20 | C21 | 79.9° | 60.0° |
H191 | C19 | C20 | H201 | 160.1° | 60.3° |
H191 | C19 | C20 | H202 | 39.3° | 176.8° |
H192 | C19 | C20 | C21 | 42.7° | 56.9° |
H192 | C19 | C20 | H201 | 77.3° | 177.2° |
H192 | C19 | C20 | H202 | 162.0° | 66.2° |
C21 | C20 | H201 | H202 | 119.2° | 117.4° |
C20 | C21 | C22 | H211 | 120.0° | 122.8° |
C20 | C21 | C22 | H212 | 118.0° | 122.3° |
C20 | C21 | H211 | H212 | 118.2° | 116.6° |
C20 | C21 | C22 | C23 | 120.1° | 177.1° |
C20 | C21 | C22 | H221 | 119.9° | 54.8° |
C20 | C21 | C22 | H222 | 2.9° | 60.0° |
H201 | C20 | C21 | C22 | 158.4° | 60.0° |
H201 | C20 | C21 | H211 | 81.6° | 63.4° |
H201 | C20 | C21 | H212 | 40.4° | 178.0° |
H202 | C20 | C21 | C22 | 37.6° | 55.4° |
H202 | C20 | C21 | H211 | 157.6° | 178.8° |
H202 | C20 | C21 | H212 | 80.4° | 66.6° |
C22 | C21 | H211 | H212 | 118.2° | 116.4° |
C21 | C22 | C23 | H221 | 120.0° | 122.1° |
C21 | C22 | C23 | H222 | 117.1° | 123.3° |
C21 | C22 | H221 | H222 | 117.4° | 117.1° |
C21 | C22 | C23 | C24 | 143.4° | 178.0° |
C21 | C22 | C23 | H231 | 23.4° | 58.5° |
C21 | C22 | C23 | H232 | 98.7° | 57.1° |
H211 | C21 | C22 | C23 | 0.0° | 60.0° |
H211 | C21 | C22 | H221 | 120.1° | 177.6° |
H211 | C21 | C22 | H222 | 117.1° | 62.8° |
H212 | C21 | C22 | C23 | 121.9° | 54.8° |
H212 | C21 | C22 | H221 | 1.9° | 67.5° |
H212 | C21 | C22 | H222 | 120.9° | 177.6° |
C23 | C22 | H221 | H222 | 117.4° | 116.4° |
C22 | C23 | C24 | H231 | 120.0° | 123.7° |
C22 | C23 | C24 | H232 | 117.9° | 120.3° |
C22 | C23 | H231 | H232 | 118.0° | 116.7° |
C22 | C23 | C24 | C25 | 175.4° | 176.3° |
C22 | C23 | C24 | H241 | 64.6° | 55.0° |
C22 | C23 | C24 | H242 | 56.3° | 62.7° |
H221 | C22 | C23 | C24 | 96.6° | 60.0° |
H221 | C22 | C23 | H231 | 143.4° | 63.6° |
H221 | C22 | C23 | H232 | 21.3° | 179.1° |
H222 | C22 | C23 | C24 | 26.3° | 54.7° |
H222 | C22 | C23 | H231 | 93.7° | 178.3° |
H222 | C22 | C23 | H232 | 144.2° | 66.2° |
C24 | C23 | H231 | H232 | 118.0° | 117.7° |
C23 | C24 | C25 | H241 | 120.0° | 121.3° |
C23 | C24 | C25 | H242 | 119.2° | 121.6° |
C23 | C24 | H241 | H242 | 119.2° | 119.5° |
C23 | C24 | C25 | C26 | 178.1° | 178.7° |
C23 | C24 | C25 | H251 | 61.9° | 60.1° |
C23 | C24 | C25 | H252 | 61.6° | 57.6° |
H231 | C23 | C24 | C25 | 55.4° | 60.0° |
H231 | C23 | C24 | H241 | 175.4° | 178.7° |
H231 | C23 | C24 | H242 | 63.7° | 61.0° |
H232 | C23 | C24 | C25 | 66.7° | 56.0° |
H232 | C23 | C24 | H241 | 53.3° | 65.3° |
H232 | C23 | C24 | H242 | 174.2° | 177.0° |
C25 | C24 | H241 | H242 | 119.2° | 118.2° |
C24 | C25 | C26 | H251 | 120.0° | 121.6° |
C24 | C25 | C26 | H252 | 116.5° | 121.6° |
C24 | C25 | H251 | H252 | 116.8° | 119.4° |
C24 | C25 | C26 | H261 | 158.6° | 60.2° |
C24 | C25 | C26 | H262 | 81.4° | 180.0° |
C24 | C25 | C26 | H263 | 38.6° | 60.3° |
H241 | C24 | C25 | C26 | 58.1° | 60.0° |
H241 | C24 | C25 | H251 | 178.1° | 61.2° |
H241 | C24 | C25 | H252 | 58.4° | 178.9° |
H242 | C24 | C25 | C26 | 62.8° | 57.1° |
H242 | C24 | C25 | H251 | 57.3° | 178.2° |
H242 | C24 | C25 | H252 | 179.2° | 64.0° |
C26 | C25 | H251 | H252 | 116.8° | 118.1° |
C25 | C26 | H261 | H262 | 120.0° | 121.0° |
C25 | C26 | H261 | H263 | 120.0° | 122.1° |
C25 | C26 | H262 | H263 | 120.0° | 121.5° |
H251 | C25 | C26 | H261 | 38.6° | 61.4° |
H251 | C25 | C26 | H262 | 158.5° | 58.4° |
H251 | C25 | C26 | H263 | 81.4° | 178.1° |
H252 | C25 | C26 | H261 | 85.0° | 178.2° |
H252 | C25 | C26 | H262 | 35.0° | 58.5° |
H252 | C25 | C26 | H263 | 155.0° | 61.3° |
H261 | C26 | H262 | H263 | 120.0° | 117.0° |
ON1 | N | C1 | C2 | 49.2° | 60.0° |
ON1 | N | C1 | H11 | 70.8° | 60.6° |
ON1 | N | C1 | H12 | 169.7° | 176.6° |
C1 | N | ON1 | HN1 | 164.5° | 88.1° |
N | C1 | C2 | H11 | 120.0° | 118.9° |
N | C1 | C2 | H12 | 120.5° | 121.4° |
N | C1 | H11 | H12 | 120.5° | 115.8° |
N | C1 | C2 | C3 | 85.4° | 61.1° |
N | C1 | C2 | H21 | 34.6° | 178.3° |
N | C1 | C2 | H22 | 158.4° | 61.6° |
C2 | C1 | H11 | H12 | 120.5° | 121.6° |
C1 | C2 | C3 | H21 | 120.0° | 120.3° |
C1 | C2 | C3 | H22 | 116.2° | 122.8° |
C1 | C2 | H21 | H22 | 116.7° | 118.5° |
C1 | C2 | C3 | C4 | 24.7° | 179.7° |
C1 | C2 | C3 | H31 | 144.6° | 59.3° |
C1 | C2 | C3 | H32 | 91.9° | 58.1° |
H11 | C1 | C2 | C3 | 154.6° | 180.0° |
H11 | C1 | C2 | H21 | 85.4° | 59.4° |
H11 | C1 | C2 | H22 | 38.4° | 57.4° |
H12 | C1 | C2 | C3 | 35.1° | 60.3° |
H12 | C1 | C2 | H21 | 155.1° | 60.3° |
H12 | C1 | C2 | H22 | 81.1° | 177.0° |
C3 | C2 | H21 | H22 | 116.7° | 118.4° |
C2 | C3 | C4 | H31 | 120.0° | 121.1° |
C2 | C3 | C4 | H32 | 116.6° | 121.6° |
C2 | C3 | H31 | H32 | 117.0° | 119.0° |
C2 | C3 | C4 | C5 | 161.6° | 177.5° |
C2 | C3 | C4 | H41A | 41.6° | 60.0° |
C2 | C3 | C4 | H42A | 81.8° | 55.9° |
H21 | C2 | C3 | C4 | 95.3° | 60.0° |
H21 | C2 | C3 | H31 | 24.6° | 61.1° |
H21 | C2 | C3 | H32 | 148.1° | 178.5° |
H22 | C2 | C3 | C4 | 140.9° | 56.9° |
H22 | C2 | C3 | H31 | 99.2° | 177.9° |
H22 | C2 | C3 | H32 | 24.3° | 64.7° |
C4 | C3 | H31 | H32 | 117.0° | 118.9° |
C3 | C4 | C5 | H41A | 120.0° | 122.3° |
C3 | C4 | C5 | H42A | 116.6° | 121.2° |
C3 | C4 | H41A | H42A | 116.9° | 117.3° |
C3 | C4 | C5 | N2 | 77.4° | 65.9° |
C3 | C4 | C5 | C6 | 47.6° | 57.7° |
C3 | C4 | C5 | H5 | 166.8° | 175.9° |
H31 | C3 | C4 | C5 | 78.4° | 56.5° |
H31 | C3 | C4 | H41A | 161.6° | 179.0° |
H31 | C3 | C4 | H42A | 38.2° | 65.2° |
H32 | C3 | C4 | C5 | 45.0° | 60.9° |
H32 | C3 | C4 | H41A | 75.0° | 61.6° |
H32 | C3 | C4 | H42A | 161.6° | 177.5° |
C5 | C4 | H41A | H42A | 117.0° | 118.5° |
C4 | C5 | N2 | C6 | 128.5° | 122.9° |
C4 | C5 | N2 | H5 | 111.1° | 121.0° |
C4 | C5 | C6 | H5 | 111.7° | 120.7° |
C4 | C5 | N2 | C11 | 12.1° | 91.0° |
C4 | C5 | N2 | HN2 | 167.9° | 89.1° |
C4 | C5 | C6 | O | 36.9° | 60.7° |
C4 | C5 | C6 | O1 | 146.3° | 119.2° |
H41A | C4 | C5 | N2 | 42.7° | 56.4° |
H41A | C4 | C5 | C6 | 167.6° | 180.0° |
H41A | C4 | C5 | H5 | 73.1° | 61.8° |
H42A | C4 | C5 | N2 | 166.1° | 173.0° |
H42A | C4 | C5 | C6 | 69.0° | 63.4° |
H42A | C4 | C5 | H5 | 50.3° | 54.7° |
N2 | C5 | C6 | H5 | 117.5° | 115.9° |
C5 | N2 | C11 | HN2 | 180.0° | 179.9° |
C5 | N2 | C11 | O3 | 17.3° | 0.1° |
C5 | N2 | C11 | C39 | 157.7° | 179.9° |
N2 | C5 | C6 | O | 167.6° | 175.9° |
N2 | C5 | C6 | O1 | 15.6° | 4.3° |
C6 | C5 | N2 | C11 | 116.4° | 146.1° |
C6 | C5 | N2 | HN2 | 63.6° | 33.8° |
C5 | C6 | O | O1 | 176.8° | 179.8° |
C5 | C6 | O1 | C7 | 113.5° | 179.8° |
H5 | C5 | N2 | C11 | 123.2° | 30.0° |
H5 | C5 | N2 | HN2 | 56.8° | 150.0° |
H5 | C5 | C6 | O | 74.8° | 60.0° |
H5 | C5 | C6 | O1 | 102.0° | 120.2° |
N2 | C11 | O3 | C39 | 175.0° | 180.0° |
N2 | C11 | C39 | N4 | 119.4° | 150.5° |
N2 | C11 | C39 | C37 | 1.1° | 94.5° |
N2 | C11 | C39 | H39 | 116.6° | 29.9° |
HN2 | N2 | C11 | O3 | 162.8° | 180.0° |
HN2 | N2 | C11 | C39 | 22.3° | 0.1° |
O3 | C11 | C39 | N4 | 55.9° | 29.5° |
O3 | C11 | C39 | C37 | 174.2° | 85.5° |
O3 | C11 | C39 | H39 | 68.0° | 150.0° |
C11 | C39 | N4 | C37 | 128.7° | 119.6° |
C11 | C39 | N4 | H39 | 112.3° | 118.6° |
C11 | C39 | C37 | H39 | 111.7° | 122.7° |
C11 | C39 | N4 | C38 | 129.1° | 108.7° |
C11 | C39 | C37 | O6 | 124.8° | 100.5° |
C11 | C39 | C37 | H371 | 115.2° | 142.8° |
C11 | C39 | C37 | H372 | 3.4° | 19.0° |
N4 | C39 | C37 | H39 | 124.6° | 121.5° |
C39 | N4 | C38 | O6 | 0.4° | 2.5° |
C39 | N4 | C38 | C45 | 178.0° | 177.6° |
N4 | C39 | C37 | O6 | 1.1° | 15.3° |
N4 | C39 | C37 | H371 | 121.1° | 101.4° |
N4 | C39 | C37 | H372 | 120.3° | 134.8° |
C37 | C39 | N4 | C38 | 0.4° | 10.9° |
C39 | C37 | O6 | C38 | 1.3° | 13.6° |
C39 | C37 | O6 | H371 | 120.0° | 119.2° |
C39 | C37 | O6 | H372 | 121.4° | 122.2° |
C39 | C37 | H371 | H372 | 121.5° | 126.5° |
H39 | C39 | N4 | C38 | 118.6° | 132.6° |
H39 | C39 | C37 | O6 | 123.5° | 136.8° |
H39 | C39 | C37 | H371 | 3.5° | 20.2° |
H39 | C39 | C37 | H372 | 115.1° | 103.6° |
N4 | C38 | O6 | C45 | 177.6° | 179.9° |
N4 | C38 | O6 | C37 | 1.2° | 7.7° |
N4 | C38 | C45 | C44 | 149.5° | 150.0° |
N4 | C38 | C45 | C40 | 28.8° | 30.0° |
C38 | O6 | C37 | H371 | 121.3° | 105.6° |
C38 | O6 | C37 | H372 | 120.1° | 135.8° |
O6 | C38 | C45 | C44 | 27.7° | 29.9° |
O6 | C38 | C45 | C40 | 154.0° | 150.1° |
C45 | C38 | O6 | C37 | 178.7° | 172.2° |
C38 | C45 | C44 | C40 | 178.3° | 180.0° |
C38 | C45 | C44 | C43 | 178.7° | 180.0° |
C38 | C45 | C44 | H44 | 1.3° | 0.0° |
C38 | C45 | C40 | C41 | 178.4° | 180.0° |
C38 | C45 | C40 | O7 | 1.8° | 0.0° |
O6 | C37 | H371 | H372 | 121.5° | 119.2° |
C45 | C44 | C43 | H44 | 180.0° | 180.0° |
C45 | C44 | C43 | C42 | 0.3° | 0.0° |
C45 | C44 | C43 | H43 | 179.8° | 180.0° |
C44 | C45 | C40 | C41 | 0.1° | 0.1° |
C44 | C45 | C40 | O7 | 180.0° | 180.0° |
C40 | C45 | C44 | C43 | 0.4° | 0.0° |
C40 | C45 | C44 | H44 | 179.6° | 180.0° |
C45 | C40 | C41 | C42 | 0.3° | 0.1° |
C45 | C40 | C41 | O7 | 179.9° | 180.0° |
C45 | C40 | C41 | H41 | 179.7° | 180.0° |
C45 | C40 | O7 | HO7 | 0.4° | 61.9° |
C44 | C43 | C42 | H43 | 180.0° | 180.0° |
C44 | C43 | C42 | C41 | 0.1° | 0.1° |
C44 | C43 | C42 | H42 | 179.9° | 180.0° |
H44 | C44 | C43 | C42 | 179.7° | 180.0° |
H44 | C44 | C43 | H43 | 0.3° | 0.0° |
C43 | C42 | C41 | H42 | 180.0° | 179.9° |
C43 | C42 | C41 | C40 | 0.4° | 0.1° |
C43 | C42 | C41 | H41 | 179.6° | 180.0° |
H43 | C43 | C42 | C41 | 179.8° | 180.0° |
H43 | C43 | C42 | H42 | 0.1° | 0.1° |
C42 | C41 | C40 | H41 | 180.0° | 179.9° |
C42 | C41 | C40 | O7 | 179.6° | 180.0° |
H42 | C42 | C41 | C40 | 179.6° | 180.0° |
H42 | C42 | C41 | H41 | 0.4° | 0.1° |
C41 | C40 | O7 | HO7 | 179.5° | 118.1° |
H41 | C41 | C40 | O7 | 0.5° | 0.0° |
O | C6 | O1 | C7 | 69.7° | 0.0° |
C6 | O1 | C7 | C9 | 45.7° | 58.9° |
C6 | O1 | C7 | C8 | 79.1° | 179.8° |
C6 | O1 | C7 | H7 | 161.0° | 60.0° |
O1 | C7 | C9 | C8 | 123.2° | 119.3° |
O1 | C7 | C9 | H7 | 117.1° | 117.9° |
O1 | C7 | C8 | H7 | 117.6° | 118.4° |
O1 | C7 | C9 | H91 | 5.4° | 56.1° |
O1 | C7 | C9 | H92 | 114.6° | 176.8° |
O1 | C7 | C9 | H93 | 125.4° | 65.1° |
O1 | C7 | C8 | C10 | 164.8° | 58.5° |
O1 | C7 | C8 | H81 | 75.2° | 178.9° |
O1 | C7 | C8 | H82 | 46.4° | 61.5° |
C9 | C7 | C8 | H7 | 115.7° | 122.2° |
C7 | C9 | H91 | H92 | 120.0° | 121.8° |
C7 | C9 | H91 | H93 | 120.0° | 122.6° |
C7 | C9 | H92 | H93 | 120.0° | 120.7° |
C9 | C7 | C8 | C10 | 38.1° | 177.9° |
C9 | C7 | C8 | H81 | 158.1° | 61.8° |
C9 | C7 | C8 | H82 | 80.3° | 57.9° |
C8 | C7 | C9 | H91 | 117.8° | 175.5° |
C8 | C7 | C9 | H92 | 122.2° | 63.9° |
C8 | C7 | C9 | H93 | 2.2° | 54.2° |
C7 | C8 | C10 | H81 | 120.0° | 121.8° |
C7 | C8 | C10 | H82 | 118.4° | 121.6° |
C7 | C8 | H81 | H82 | 118.5° | 120.6° |
C7 | C8 | C10 | O2 | 102.4° | 1.7° |
C7 | C8 | C10 | N1 | 82.1° | 178.1° |
H7 | C7 | C9 | H91 | 122.5° | 61.7° |
H7 | C7 | C9 | H92 | 2.5° | 58.9° |
H7 | C7 | C9 | H93 | 117.5° | 177.0° |
H7 | C7 | C8 | C10 | 77.6° | 59.9° |
H7 | C7 | C8 | H81 | 42.4° | 60.4° |
H7 | C7 | C8 | H82 | 164.0° | 179.9° |
H91 | C9 | H92 | H93 | 119.9° | 117.0° |
C10 | C8 | H81 | H82 | 118.5° | 115.9° |
C8 | C10 | O2 | N1 | 175.1° | 179.8° |
C8 | C10 | N1 | C35 | 162.6° | 179.8° |
C8 | C10 | N1 | H1 | 17.4° | 2.2° |
H81 | C8 | C10 | O2 | 137.6° | 120.1° |
H81 | C8 | C10 | N1 | 37.9° | 60.0° |
H82 | C8 | C10 | O2 | 16.0° | 123.3° |
H82 | C8 | C10 | N1 | 159.5° | 56.5° |
O2 | C10 | N1 | C35 | 12.5° | 0.0° |
O2 | C10 | N1 | H1 | 167.5° | 177.6° |
C10 | N1 | C35 | H1 | 180.0° | 177.7° |
C10 | N1 | C35 | C36 | 169.8° | 142.5° |
C10 | N1 | C35 | C34 | 41.3° | 85.9° |
C10 | N1 | C35 | H35 | 73.9° | 30.0° |
N1 | C35 | C36 | C34 | 132.5° | 130.8° |
N1 | C35 | C36 | H35 | 110.3° | 112.0° |
N1 | C35 | C34 | H35 | 110.1° | 114.9° |
N1 | C35 | C36 | O5 | 113.0° | 97.2° |
N1 | C35 | C36 | N3 | 69.2° | 81.0° |
N1 | C35 | C34 | C33 | 94.2° | 52.2° |
N1 | C35 | C34 | H341 | 145.8° | 68.0° |
N1 | C35 | C34 | H342 | 21.2° | 176.7° |
H1 | N1 | C35 | C36 | 10.2° | 39.8° |
H1 | N1 | C35 | C34 | 138.7° | 91.8° |
H1 | N1 | C35 | H35 | 106.1° | 152.3° |
C36 | C35 | C34 | H35 | 117.9° | 116.7° |
C35 | C36 | O5 | N3 | 177.8° | 178.1° |
C36 | C35 | C34 | C33 | 37.8° | 76.1° |
C36 | C35 | C34 | H341 | 82.2° | 163.6° |
C36 | C35 | C34 | H342 | 153.3° | 48.3° |
C35 | C36 | N3 | C31 | 14.7° | 13.0° |
C35 | C36 | N3 | ON2 | 165.7° | 177.2° |
C34 | C35 | C36 | O5 | 114.5° | 132.0° |
C34 | C35 | C36 | N3 | 63.3° | 49.8° |
C35 | C34 | C33 | H341 | 120.0° | 120.7° |
C35 | C34 | C33 | H342 | 115.5° | 124.5° |
C35 | C34 | H341 | H342 | 116.1° | 117.3° |
C35 | C34 | C33 | C32 | 48.1° | 68.7° |
C35 | C34 | C33 | H331 | 71.9° | 55.9° |
C35 | C34 | C33 | H332 | 166.6° | 171.4° |
H35 | C35 | C36 | O5 | 2.7° | 14.8° |
H35 | C35 | C36 | N3 | 179.5° | 167.0° |
H35 | C35 | C34 | C33 | 155.7° | 167.2° |
H35 | C35 | C34 | H341 | 35.7° | 46.9° |
H35 | C35 | C34 | H342 | 88.8° | 68.4° |
O5 | C36 | N3 | C31 | 167.5° | 165.1° |
O5 | C36 | N3 | ON2 | 12.0° | 0.9° |
C36 | N3 | C31 | C32 | 69.0° | 67.9° |
C36 | N3 | C31 | ON2 | 179.6° | 164.4° |
C36 | N3 | C31 | H311 | 171.0° | 171.5° |
C36 | N3 | C31 | H312 | 50.5° | 54.9° |
C36 | N3 | ON2 | SI70 | 124.9° | 90.0° |
C33 | C34 | H341 | H342 | 116.1° | 116.7° |
C34 | C33 | C32 | H331 | 120.0° | 124.8° |
C34 | C33 | C32 | H332 | 118.5° | 119.9° |
C34 | C33 | H331 | H332 | 118.6° | 116.7° |
C34 | C33 | C32 | C31 | 67.4° | 66.0° |
C34 | C33 | C32 | H321 | 172.6° | 58.0° |
C34 | C33 | C32 | H322 | 50.0° | 174.2° |
H341 | C34 | C33 | C32 | 168.1° | 170.5° |
H341 | C34 | C33 | H331 | 48.1° | 64.8° |
H341 | C34 | C33 | H332 | 73.4° | 50.7° |
H342 | C34 | C33 | C32 | 67.4° | 55.8° |
H342 | C34 | C33 | H331 | 172.6° | 179.6° |
H342 | C34 | C33 | H332 | 51.1° | 64.1° |
C32 | C33 | H331 | H332 | 118.5° | 116.4° |
C33 | C32 | C31 | H321 | 120.0° | 123.8° |
C33 | C32 | C31 | H322 | 117.4° | 119.6° |
C33 | C32 | H321 | H322 | 117.6° | 116.9° |
C33 | C32 | C31 | N3 | 7.7° | 74.5° |
C33 | C32 | C31 | H311 | 127.7° | 165.2° |
C33 | C32 | C31 | H312 | 111.8° | 46.8° |
H331 | C33 | C32 | C31 | 52.6° | 58.9° |
H331 | C33 | C32 | H321 | 67.4° | 177.2° |
H331 | C33 | C32 | H322 | 170.0° | 61.0° |
H332 | C33 | C32 | C31 | 174.2° | 174.1° |
H332 | C33 | C32 | H321 | 54.2° | 62.0° |
H332 | C33 | C32 | H322 | 68.4° | 54.2° |
C31 | C32 | H321 | H322 | 117.6° | 117.6° |
C32 | C31 | N3 | H311 | 120.0° | 120.6° |
C32 | C31 | N3 | H312 | 119.5° | 122.7° |
C32 | C31 | H311 | H312 | 119.4° | 120.3° |
C32 | C31 | N3 | ON2 | 111.4° | 127.7° |
H321 | C32 | C31 | N3 | 112.3° | 49.3° |
H321 | C32 | C31 | H311 | 7.7° | 71.0° |
H321 | C32 | C31 | H312 | 128.2° | 170.6° |
H322 | C32 | C31 | N3 | 125.1° | 166.0° |
H322 | C32 | C31 | H311 | 114.9° | 45.7° |
H322 | C32 | C31 | H312 | 5.6° | 72.8° |
N3 | C31 | H311 | H312 | 119.5° | 116.9° |
C31 | N3 | ON2 | SI70 | 55.5° | 102.8° |
H311 | C31 | N3 | ON2 | 8.6° | 7.1° |
H312 | C31 | N3 | ON2 | 129.1° | 109.6° |
N3 | ON2 | SI70 | C27 | 73.8° | 66.4° |
N3 | ON2 | SI70 | C46 | 73.8° | 60.0° |
N3 | ON2 | SI70 | C47 | 73.8° | 170.0° |
ON2 | SI70 | C27 | C46 | 90.0° | 123.3° |
ON2 | SI70 | C27 | C47 | 90.0° | 121.8° |
ON2 | SI70 | C46 | C47 | 90.0° | 113.8° |
ON2 | SI70 | C27 | C28 | 90.0° | 176.7° |
ON2 | SI70 | C27 | C29 | 90.0° | 56.7° |
ON2 | SI70 | C27 | C30 | 90.0° | 63.3° |
ON2 | SI70 | C46 | C51 | 90.0° | 126.4° |
ON2 | SI70 | C46 | C52 | 90.0° | 53.9° |
ON2 | SI70 | C47 | C53 | 90.0° | 173.7° |
ON2 | SI70 | C47 | C57 | 90.0° | 6.1° |
C27 | SI70 | C46 | C47 | 90.0° | 120.1° |
SI70 | C27 | C28 | C29 | 90.0° | 120.9° |
SI70 | C27 | C28 | C30 | 90.0° | 120.8° |
SI70 | C27 | C29 | C30 | 90.0° | 120.9° |
SI70 | C27 | C28 | H281 | 90.0° | 60.3° |
SI70 | C27 | C28 | H282 | 90.0° | 179.9° |
SI70 | C27 | C28 | H283 | 90.0° | 60.1° |
SI70 | C27 | C29 | H291 | 90.0° | 60.2° |
SI70 | C27 | C29 | H292 | 90.0° | 60.1° |
SI70 | C27 | C29 | H293 | 90.0° | 180.0° |
SI70 | C27 | C30 | H301 | 90.0° | 60.1° |
SI70 | C27 | C30 | H302 | 90.0° | 179.9° |
SI70 | C27 | C30 | H303 | 90.0° | 60.2° |
C27 | SI70 | C46 | C51 | 90.0° | 0.3° |
C27 | SI70 | C46 | C52 | 90.0° | 179.9° |
C27 | SI70 | C47 | C53 | 90.0° | 61.7° |
C27 | SI70 | C47 | C57 | 90.0° | 118.5° |
C46 | SI70 | C27 | C28 | 90.0° | 60.0° |
C46 | SI70 | C27 | C29 | 90.0° | 180.0° |
C46 | SI70 | C27 | C30 | 90.0° | 60.0° |
SI70 | C46 | C51 | C52 | 90.0° | 179.8° |
C46 | SI70 | C47 | C53 | 90.0° | 60.0° |
C46 | SI70 | C47 | C57 | 90.0° | 119.8° |
SI70 | C46 | C52 | C48 | 90.0° | 179.8° |
SI70 | C46 | C51 | C50 | 90.0° | 179.8° |
SI70 | C46 | C51 | H51 | 90.0° | 0.2° |
SI70 | C46 | C52 | H52 | 90.0° | 0.1° |
C47 | SI70 | C27 | C28 | 90.0° | 54.9° |
C47 | SI70 | C27 | C29 | 90.0° | 65.1° |
C47 | SI70 | C27 | C30 | 90.0° | 174.9° |
C47 | SI70 | C46 | C51 | 90.0° | 119.8° |
C47 | SI70 | C46 | C52 | 90.0° | 60.0° |
SI70 | C47 | C53 | C57 | 90.0° | 179.8° |
SI70 | C47 | C53 | C54 | 90.0° | 179.8° |
SI70 | C47 | C53 | H53 | 90.0° | 0.1° |
SI70 | C47 | C57 | C56 | 90.0° | 179.8° |
SI70 | C47 | C57 | H57 | 90.0° | 0.2° |
C28 | C27 | C29 | C30 | 90.0° | 118.3° |
C27 | C28 | H281 | H282 | 90.0° | 121.9° |
C27 | C28 | H281 | H283 | 90.0° | 122.7° |
C27 | C28 | H282 | H283 | 90.0° | 122.2° |
C28 | C27 | C29 | H291 | 90.0° | 179.0° |
C28 | C27 | C29 | H292 | 90.0° | 60.7° |
C28 | C27 | C29 | H293 | 90.0° | 59.1° |
C28 | C27 | C30 | H301 | 90.0° | 60.7° |
C28 | C27 | C30 | H302 | 90.0° | 59.1° |
C28 | C27 | C30 | H303 | 90.0° | 179.0° |
C29 | C27 | C28 | H281 | 90.0° | 60.6° |
C29 | C27 | C28 | H282 | 90.0° | 59.2° |
C29 | C27 | C28 | H283 | 90.0° | 179.0° |
C27 | C29 | H291 | H292 | 90.0° | 122.6° |
C27 | C29 | H291 | H293 | 90.0° | 121.9° |
C27 | C29 | H292 | H293 | 90.0° | 121.8° |
C29 | C27 | C30 | H301 | 90.0° | 179.0° |
C29 | C27 | C30 | H302 | 90.0° | 59.2° |
C29 | C27 | C30 | H303 | 90.0° | 60.7° |
C30 | C27 | C28 | H281 | 90.0° | 178.9° |
C30 | C27 | C28 | H282 | 90.0° | 59.0° |
C30 | C27 | C28 | H283 | 90.0° | 60.8° |
C30 | C27 | C29 | H291 | 90.0° | 60.7° |
C30 | C27 | C29 | H292 | 90.0° | 179.0° |
C30 | C27 | C29 | H293 | 90.0° | 59.2° |
C27 | C30 | H301 | H302 | 90.0° | 121.9° |
C27 | C30 | H301 | H303 | 90.0° | 122.5° |
C27 | C30 | H302 | H303 | 90.0° | 122.2° |
H281 | C28 | H282 | H283 | 90.0° | 115.5° |
H291 | C29 | H292 | H293 | 90.0° | 115.5° |
H301 | C30 | H302 | H303 | 90.0° | 115.6° |
C51 | C46 | C52 | C48 | 90.0° | 0.0° |
C46 | C51 | C50 | C49 | 90.0° | 0.0° |
C46 | C51 | C50 | H51 | 90.0° | 180.0° |
C46 | C51 | C50 | H50 | 90.0° | 180.0° |
C51 | C46 | C52 | H52 | 90.0° | 179.8° |
C46 | C52 | C48 | C49 | 90.0° | 0.0° |
C46 | C52 | C48 | H52 | 90.0° | 179.9° |
C46 | C52 | C48 | H48 | 90.0° | 180.0° |
C52 | C46 | C51 | C50 | 90.0° | 0.1° |
C52 | C46 | C51 | H51 | 90.0° | 180.0° |
C47 | C53 | C54 | H53 | 90.0° | 179.9° |
C47 | C53 | C54 | C55 | 90.0° | 0.0° |
C47 | C53 | C54 | H54 | 90.0° | 180.0° |
C53 | C47 | C57 | C56 | 90.0° | 0.0° |
C53 | C47 | C57 | H57 | 90.0° | 180.0° |
C57 | C47 | C53 | C54 | 90.0° | 0.0° |
C57 | C47 | C53 | H53 | 90.0° | 179.9° |
C47 | C57 | C56 | C55 | 90.0° | 0.0° |
C47 | C57 | C56 | H57 | 90.0° | 180.0° |
C47 | C57 | C56 | H56 | 90.0° | 179.9° |
C49 | C48 | C52 | H48 | 90.0° | 180.0° |
C48 | C49 | C50 | H49 | 90.0° | 179.9° |
C48 | C49 | C50 | C51 | 90.0° | 0.0° |
C48 | C49 | C50 | H50 | 90.0° | 180.0° |
C49 | C48 | C52 | H52 | 90.0° | 179.9° |
C52 | C48 | C49 | C50 | 90.0° | 0.0° |
C52 | C48 | C49 | H49 | 90.0° | 180.0° |
H48 | C48 | C49 | C50 | 90.0° | 180.0° |
H48 | C48 | C49 | H49 | 90.0° | 0.0° |
H48 | C48 | C52 | H52 | 90.0° | 0.1° |
C49 | C50 | C51 | H50 | 90.0° | 180.0° |
C49 | C50 | C51 | H51 | 90.0° | 180.0° |
H49 | C49 | C50 | C51 | 90.0° | 179.9° |
H49 | C49 | C50 | H50 | 90.0° | 0.1° |
H50 | C50 | C51 | H51 | 90.0° | 0.0° |
C53 | C54 | C55 | H54 | 90.0° | 180.0° |
C53 | C54 | C55 | C56 | 90.0° | 0.0° |
C53 | C54 | C55 | H55 | 90.0° | 180.0° |
H53 | C53 | C54 | C55 | 90.0° | 179.9° |
H53 | C53 | C54 | H54 | 90.0° | 0.1° |
C54 | C55 | C56 | H55 | 90.0° | 180.0° |
C54 | C55 | C56 | C57 | 90.0° | 0.0° |
C54 | C55 | C56 | H56 | 90.0° | 179.9° |
H54 | C54 | C55 | C56 | 90.0° | 180.0° |
H54 | C54 | C55 | H55 | 90.0° | 0.0° |
C55 | C56 | C57 | H56 | 90.0° | 179.9° |
C55 | C56 | C57 | H57 | 90.0° | 180.0° |
H55 | C55 | C56 | C57 | 90.0° | 180.0° |
H55 | C55 | C56 | H56 | 90.0° | 0.1° |
H56 | C56 | C57 | H57 | 90.0° | 0.1° |