CBO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | C10 | sing | 1.54Å | 1.52Å | |
C1 | H11 | sing | 1.09Å | 1.11Å | |
C1 | H12A | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.52Å | 1.53Å | |
C2 | H21 | sing | 1.10Å | 1.12Å | |
C2 | H22 | sing | 1.08Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.59Å | |
C3 | O3 | sing | 1.46Å | 1.41Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.51Å | 1.58Å | |
C4 | C24 | sing | 1.53Å | 1.61Å | |
C4 | C25 | sing | 1.55Å | 1.55Å | |
C5 | C6 | sing | 1.53Å | 1.58Å | |
C5 | C10 | sing | 1.53Å | 1.56Å | |
C5 | H5 | sing | 1.12Å | 1.11Å | |
C6 | C7 | sing | 1.54Å | 1.51Å | |
C6 | H61 | sing | 1.08Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
C7 | C8 | sing | 1.52Å | 1.66Å | |
C7 | H71 | sing | 1.09Å | 1.11Å | |
C7 | H72 | sing | 1.09Å | 1.11Å | |
C8 | C9 | sing | 1.52Å | 1.61Å | |
C8 | C14 | sing | 1.54Å | 1.65Å | |
C8 | C26 | sing | 1.54Å | 1.67Å | |
C9 | C10 | sing | 1.53Å | 1.61Å | |
C9 | C11 | sing | 1.51Å | 1.50Å | |
C9 | H9 | sing | 1.11Å | 1.11Å | |
C10 | C19 | sing | 1.52Å | 1.53Å | |
C11 | C12 | sing | 1.47Å | 1.45Å | |
C11 | O11 | doub | 1.22Å | 1.27Å | |
C12 | C13 | doub | 1.34Å | 1.38Å | |
C12 | H12 | sing | 1.08Å | 1.10Å | |
C13 | C14 | sing | 1.50Å | 1.49Å | |
C13 | C18 | sing | 1.52Å | 1.56Å | |
C14 | C15 | sing | 1.52Å | 1.66Å | |
C14 | C27 | sing | 1.53Å | 1.59Å | |
C15 | C16 | sing | 1.53Å | 1.54Å | |
C15 | H151 | sing | 1.11Å | 1.11Å | |
C15 | H152 | sing | 1.08Å | 1.11Å | |
C16 | C17 | sing | 1.52Å | 1.60Å | |
C16 | H161 | sing | 1.09Å | 1.12Å | |
C16 | H162 | sing | 1.10Å | 1.11Å | |
C17 | C18 | sing | 1.53Å | 1.60Å | |
C17 | C23 | sing | 1.53Å | 1.56Å | |
C17 | C28 | sing | 1.53Å | 1.55Å | |
C18 | C20 | sing | 1.52Å | 1.60Å | |
C18 | H18 | sing | 1.10Å | 1.11Å | |
C19 | H191 | sing | 1.09Å | 1.12Å | |
C19 | H192 | sing | 1.09Å | 1.11Å | |
C19 | H193 | sing | 1.09Å | 1.12Å | |
C20 | C21 | sing | 1.53Å | 1.57Å | |
C20 | H201 | sing | 1.09Å | 1.11Å | |
C20 | H202 | sing | 1.09Å | 1.11Å | |
C21 | C22 | sing | 1.53Å | 1.59Å | |
C21 | C33 | sing | 1.50Å | 1.54Å | |
C21 | C34 | sing | 1.54Å | 1.56Å | |
C22 | C23 | sing | 1.52Å | 1.50Å | |
C22 | H221 | sing | 1.09Å | 1.12Å | |
C22 | H222 | sing | 1.09Å | 1.11Å | |
C23 | H231 | sing | 1.10Å | 1.11Å | |
C23 | H232 | sing | 1.09Å | 1.12Å | |
C24 | H241 | sing | 1.09Å | 1.12Å | |
C24 | H242 | sing | 1.09Å | 1.11Å | |
C24 | H243 | sing | 1.09Å | 1.12Å | |
C25 | H251 | sing | 1.09Å | 1.11Å | |
C25 | H252 | sing | 1.09Å | 1.11Å | |
C25 | H253 | sing | 1.09Å | 1.11Å | |
C26 | H261 | sing | 1.09Å | 1.11Å | |
C26 | H262 | sing | 1.09Å | 1.12Å | |
C26 | H263 | sing | 1.09Å | 1.11Å | |
C27 | H271 | sing | 1.09Å | 1.11Å | |
C27 | H272 | sing | 1.09Å | 1.11Å | |
C27 | H273 | sing | 1.09Å | 1.11Å | |
C28 | H281 | sing | 1.09Å | 1.11Å | |
C28 | H282 | sing | 1.09Å | 1.11Å | |
C28 | H283 | sing | 1.09Å | 1.12Å | |
C29 | C30 | sing | 1.51Å | 1.51Å | |
C29 | O3 | sing | 1.34Å | 1.33Å | |
C29 | O29 | doub | 1.21Å | 1.20Å | |
C30 | C31 | sing | 1.53Å | 1.58Å | |
C30 | H301 | sing | 1.09Å | 1.11Å | |
C30 | H302 | sing | 1.09Å | 1.11Å | |
C31 | C32 | sing | 1.51Å | 1.51Å | |
C31 | H311 | sing | 1.09Å | 1.11Å | |
C31 | H312 | sing | 1.09Å | 1.12Å | |
C32 | O32 | doub | 1.21Å | 1.29Å | |
C32 | O33 | sing | 1.34Å | 1.28Å | |
C33 | O34 | doub | 1.21Å | 1.28Å | |
C33 | O35 | sing | 1.34Å | 1.35Å | |
C34 | H341 | sing | 1.09Å | 1.11Å | |
C34 | H342 | sing | 1.09Å | 1.11Å | |
C34 | H343 | sing | 1.09Å | 1.11Å | |
O33 | H33 | sing | 0.97Å | 0.95Å | |
O35 | H35 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C10 | 120.5° | 109.5° |
C2 | C1 | H11 | 108.3° | 109.7° |
C2 | C1 | H12A | 108.3° | 109.6° |
C1 | C2 | C3 | 115.4° | 110.2° |
C1 | C2 | H21 | 110.0° | 108.4° |
C1 | C2 | H22 | 110.1° | 111.4° |
C10 | C1 | H11 | 108.3° | 109.0° |
C10 | C1 | H12A | 108.3° | 109.3° |
C1 | C10 | C5 | 117.2° | 108.2° |
C1 | C10 | C9 | 110.7° | 107.9° |
C1 | C10 | C19 | 96.4° | 108.0° |
H11 | C1 | H12A | 101.7° | 109.7° |
C3 | C2 | H21 | 110.0° | 108.5° |
C3 | C2 | H22 | 110.0° | 110.7° |
C2 | C3 | C4 | 117.4° | 112.1° |
C2 | C3 | O3 | 120.8° | 109.3° |
C2 | C3 | H3 | 92.1° | 109.1° |
H21 | C2 | H22 | 100.2° | 107.5° |
C4 | C3 | O3 | 105.1° | 109.0° |
C4 | C3 | H3 | 112.4° | 108.8° |
C3 | C4 | C5 | 107.7° | 112.5° |
C3 | C4 | C24 | 116.1° | 109.9° |
C3 | C4 | C25 | 106.9° | 106.2° |
O3 | C3 | H3 | 108.2° | 108.4° |
C3 | O3 | C29 | 147.4° | 120.1° |
C5 | C4 | C24 | 111.1° | 112.9° |
C5 | C4 | C25 | 108.7° | 108.1° |
C4 | C5 | C6 | 118.1° | 113.0° |
C4 | C5 | C10 | 117.6° | 116.1° |
C4 | C5 | H5 | 95.7° | 106.2° |
C24 | C4 | C25 | 106.0° | 106.9° |
C4 | C24 | H241 | 116.1° | 109.5° |
C4 | C24 | H242 | 109.8° | 109.5° |
C4 | C24 | H243 | 109.9° | 109.4° |
C4 | C25 | H251 | 106.9° | 109.5° |
C4 | C25 | H252 | 113.2° | 109.5° |
C4 | C25 | H253 | 113.2° | 109.5° |
C6 | C5 | C10 | 110.4° | 109.7° |
C6 | C5 | H5 | 105.8° | 105.5° |
C5 | C6 | C7 | 109.5° | 107.9° |
C5 | C6 | H61 | 112.2° | 111.8° |
C5 | C6 | H62 | 112.2° | 110.1° |
C10 | C5 | H5 | 106.7° | 105.5° |
C5 | C10 | C9 | 103.0° | 107.8° |
C5 | C10 | C19 | 115.4° | 112.6° |
C7 | C6 | H61 | 112.2° | 110.1° |
C7 | C6 | H62 | 112.2° | 107.9° |
C6 | C7 | C8 | 112.3° | 110.8° |
C6 | C7 | H71 | 111.1° | 108.4° |
C6 | C7 | H72 | 111.2° | 107.7° |
H61 | C6 | H62 | 98.1° | 108.9° |
C8 | C7 | H71 | 111.2° | 109.7° |
C8 | C7 | H72 | 111.1° | 111.5° |
C7 | C8 | C9 | 111.5° | 112.8° |
C7 | C8 | C14 | 112.1° | 110.7° |
C7 | C8 | C26 | 105.4° | 108.2° |
H71 | C7 | H72 | 99.3° | 108.6° |
C9 | C8 | C14 | 104.1° | 109.6° |
C9 | C8 | C26 | 108.2° | 109.6° |
C8 | C9 | C10 | 118.1° | 115.0° |
C8 | C9 | C11 | 110.4° | 108.3° |
C8 | C9 | H9 | 105.5° | 108.6° |
C14 | C8 | C26 | 115.6° | 105.8° |
C8 | C14 | C13 | 107.3° | 110.5° |
C8 | C14 | C15 | 109.8° | 110.1° |
C8 | C14 | C27 | 115.4° | 107.6° |
C8 | C26 | H261 | 105.5° | 109.5° |
C8 | C26 | H262 | 113.7° | 109.4° |
C8 | C26 | H263 | 113.7° | 109.4° |
C10 | C9 | C11 | 117.1° | 112.6° |
C10 | C9 | H9 | 96.2° | 105.2° |
C9 | C10 | C19 | 114.6° | 112.0° |
C11 | C9 | H9 | 107.0° | 106.6° |
C9 | C11 | C12 | 116.6° | 117.0° |
C9 | C11 | O11 | 123.3° | 123.1° |
C10 | C19 | H191 | 96.5° | 109.4° |
C10 | C19 | H192 | 117.3° | 109.4° |
C10 | C19 | H193 | 117.3° | 109.5° |
C12 | C11 | O11 | 120.1° | 119.9° |
C11 | C12 | C13 | 122.7° | 121.7° |
C11 | C12 | H12 | 121.2° | 119.4° |
C13 | C12 | H12 | 116.1° | 119.0° |
C12 | C13 | C14 | 121.2° | 122.5° |
C12 | C13 | C18 | 120.7° | 116.1° |
C14 | C13 | C18 | 118.0° | 121.4° |
C13 | C14 | C15 | 110.3° | 113.3° |
C13 | C14 | C27 | 106.0° | 107.7° |
C13 | C18 | C17 | 108.0° | 109.2° |
C13 | C18 | C20 | 109.5° | 109.5° |
C13 | C18 | H18 | 113.6° | 108.6° |
C15 | C14 | C27 | 108.0° | 107.3° |
C14 | C15 | C16 | 111.2° | 113.0° |
C14 | C15 | H151 | 111.6° | 107.6° |
C14 | C15 | H152 | 111.6° | 113.4° |
C14 | C27 | H271 | 115.4° | 109.4° |
C14 | C27 | H272 | 110.1° | 109.5° |
C14 | C27 | H273 | 110.0° | 109.5° |
C16 | C15 | H151 | 111.5° | 107.1° |
C16 | C15 | H152 | 111.6° | 109.5° |
C15 | C16 | C17 | 114.1° | 111.0° |
C15 | C16 | H161 | 110.5° | 109.8° |
C15 | C16 | H162 | 110.6° | 108.9° |
H151 | C15 | H152 | 98.8° | 105.6° |
C17 | C16 | H161 | 110.5° | 110.0° |
C17 | C16 | H162 | 110.5° | 109.0° |
C16 | C17 | C18 | 111.6° | 109.1° |
C16 | C17 | C23 | 110.5° | 110.5° |
C16 | C17 | C28 | 108.7° | 110.0° |
H161 | C16 | H162 | 99.7° | 108.2° |
C18 | C17 | C23 | 108.4° | 110.2° |
C18 | C17 | C28 | 110.1° | 109.2° |
C17 | C18 | C20 | 117.3° | 110.7° |
C17 | C18 | H18 | 105.1° | 109.1° |
C23 | C17 | C28 | 107.3° | 107.9° |
C17 | C23 | C22 | 114.1° | 111.1° |
C17 | C23 | H231 | 110.5° | 108.6° |
C17 | C23 | H232 | 110.5° | 109.4° |
C17 | C28 | H281 | 108.8° | 109.4° |
C17 | C28 | H282 | 112.5° | 109.5° |
C17 | C28 | H283 | 112.5° | 109.4° |
C20 | C18 | H18 | 103.4° | 109.6° |
C18 | C20 | C21 | 116.2° | 111.6° |
C18 | C20 | H201 | 109.7° | 109.9° |
C18 | C20 | H202 | 109.8° | 109.5° |
H191 | C19 | H192 | 117.2° | 109.5° |
H191 | C19 | H193 | 117.3° | 109.5° |
H192 | C19 | H193 | 93.0° | 109.5° |
C21 | C20 | H201 | 109.8° | 108.2° |
C21 | C20 | H202 | 109.8° | 109.1° |
C20 | C21 | C22 | 111.0° | 110.1° |
C20 | C21 | C33 | 109.2° | 110.4° |
C20 | C21 | C34 | 108.7° | 108.6° |
H201 | C20 | H202 | 100.4° | 108.4° |
C22 | C21 | C33 | 111.5° | 110.5° |
C22 | C21 | C34 | 110.9° | 108.6° |
C21 | C22 | C23 | 116.2° | 111.1° |
C21 | C22 | H221 | 109.8° | 109.3° |
C21 | C22 | H222 | 109.8° | 109.1° |
C33 | C21 | C34 | 105.4° | 108.6° |
C21 | C33 | O34 | 118.6° | 120.0° |
C21 | C33 | O35 | 122.6° | 120.0° |
C21 | C34 | H341 | 108.6° | 109.4° |
C21 | C34 | H342 | 112.5° | 109.5° |
C21 | C34 | H343 | 112.5° | 109.5° |
C23 | C22 | H221 | 109.7° | 109.6° |
C23 | C22 | H222 | 109.8° | 109.3° |
C22 | C23 | H231 | 110.6° | 109.2° |
C22 | C23 | H232 | 110.6° | 110.4° |
H221 | C22 | H222 | 100.5° | 108.3° |
H231 | C23 | H232 | 99.7° | 108.1° |
H241 | C24 | H242 | 109.8° | 109.5° |
H241 | C24 | H243 | 109.7° | 109.4° |
H242 | C24 | H243 | 100.4° | 109.5° |
H251 | C25 | H252 | 113.1° | 109.5° |
H251 | C25 | H253 | 113.2° | 109.5° |
H252 | C25 | H253 | 97.3° | 109.5° |
H261 | C26 | H262 | 113.7° | 109.4° |
H261 | C26 | H263 | 113.7° | 109.5° |
H262 | C26 | H263 | 96.7° | 109.5° |
H271 | C27 | H272 | 110.1° | 109.5° |
H271 | C27 | H273 | 110.1° | 109.5° |
H272 | C27 | H273 | 100.1° | 109.4° |
H281 | C28 | H282 | 112.5° | 109.5° |
H281 | C28 | H283 | 112.5° | 109.5° |
H282 | C28 | H283 | 97.9° | 109.5° |
C30 | C29 | O3 | 109.6° | 120.1° |
C30 | C29 | O29 | 126.1° | 120.0° |
C29 | C30 | C31 | 116.1° | 109.5° |
C29 | C30 | H301 | 109.7° | 109.5° |
C29 | C30 | H302 | 109.8° | 109.4° |
O3 | C29 | O29 | 123.5° | 119.9° |
C31 | C30 | H301 | 109.8° | 109.5° |
C31 | C30 | H302 | 109.8° | 109.4° |
C30 | C31 | C32 | 112.8° | 109.5° |
C30 | C31 | H311 | 111.0° | 109.5° |
C30 | C31 | H312 | 111.0° | 109.5° |
H301 | C30 | H302 | 100.5° | 109.5° |
C32 | C31 | H311 | 111.0° | 109.5° |
C32 | C31 | H312 | 111.0° | 109.5° |
C31 | C32 | O32 | 114.8° | 120.0° |
C31 | C32 | O33 | 122.5° | 120.0° |
H311 | C31 | H312 | 99.3° | 109.5° |
O32 | C32 | O33 | 122.8° | 120.0° |
C32 | O33 | H33 | 122.4° | 120.0° |
O34 | C33 | O35 | 118.6° | 120.0° |
C33 | O35 | H35 | 122.6° | 120.0° |
H341 | C34 | H342 | 112.6° | 109.5° |
H341 | C34 | H343 | 112.6° | 109.5° |
H342 | C34 | H343 | 98.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C10 | H11 | 125.3° | 120.1° |
C2 | C1 | C10 | H12A | 125.2° | 120.1° |
C2 | C1 | H11 | H12A | 113.9° | 120.4° |
C1 | C2 | C3 | H21 | 125.2° | 118.5° |
C1 | C2 | C3 | H22 | 125.3° | 123.7° |
C1 | C2 | H21 | H22 | 115.9° | 120.6° |
C1 | C2 | C3 | C4 | 41.7° | 56.2° |
C1 | C2 | C3 | O3 | 172.3° | 177.3° |
C1 | C2 | C3 | H3 | 75.1° | 64.4° |
C2 | C1 | C10 | C5 | 19.3° | 59.5° |
C2 | C1 | C10 | C9 | 137.1° | 175.9° |
C2 | C1 | C10 | C19 | 103.6° | 62.7° |
C10 | C1 | H11 | H12A | 113.9° | 119.6° |
C10 | C1 | C2 | C3 | 24.0° | 63.2° |
C10 | C1 | C2 | H21 | 101.2° | 178.2° |
C10 | C1 | C2 | H22 | 149.3° | 60.2° |
C1 | C10 | C5 | C4 | 31.9° | 52.4° |
C1 | C10 | C5 | C6 | 171.5° | 178.1° |
C1 | C10 | C5 | C9 | 121.8° | 116.5° |
C1 | C10 | C5 | C19 | 112.5° | 119.3° |
C1 | C10 | C5 | H5 | 74.0° | 64.9° |
C1 | C10 | C9 | C8 | 178.0° | 168.9° |
C1 | C10 | C9 | C19 | 107.8° | 118.8° |
C1 | C10 | C9 | C11 | 46.1° | 66.4° |
C1 | C10 | C9 | H9 | 66.7° | 49.4° |
C1 | C10 | C19 | H191 | 180.0° | 49.2° |
C1 | C10 | C19 | H192 | 54.8° | 169.2° |
C1 | C10 | C19 | H193 | 54.8° | 70.9° |
H11 | C1 | C2 | C3 | 101.2° | 56.4° |
H11 | C1 | C2 | H21 | 133.5° | 62.2° |
H11 | C1 | C2 | H22 | 24.0° | 179.7° |
H11 | C1 | C10 | C5 | 105.9° | 60.6° |
H11 | C1 | C10 | C9 | 11.8° | 55.9° |
H11 | C1 | C10 | C19 | 131.2° | 177.2° |
H12A | C1 | C2 | C3 | 149.2° | 176.9° |
H12A | C1 | C2 | H21 | 24.0° | 58.3° |
H12A | C1 | C2 | H22 | 85.5° | 59.8° |
H12A | C1 | C10 | C5 | 144.5° | 179.6° |
H12A | C1 | C10 | C9 | 97.7° | 64.0° |
H12A | C1 | C10 | C19 | 21.6° | 57.4° |
C3 | C2 | H21 | H22 | 115.8° | 119.8° |
C2 | C3 | C4 | O3 | 137.5° | 121.2° |
C2 | C3 | C4 | H3 | 105.0° | 120.8° |
C2 | C3 | O3 | H3 | 103.9° | 118.8° |
C2 | C3 | C4 | C5 | 51.3° | 47.0° |
C2 | C3 | C4 | C24 | 73.9° | 79.7° |
C2 | C3 | C4 | C25 | 168.0° | 165.1° |
C2 | C3 | O3 | C29 | 43.1° | 87.1° |
H21 | C2 | C3 | C4 | 83.6° | 174.7° |
H21 | C2 | C3 | O3 | 47.0° | 64.2° |
H21 | C2 | C3 | H3 | 159.7° | 54.1° |
H22 | C2 | C3 | C4 | 167.0° | 67.5° |
H22 | C2 | C3 | O3 | 62.4° | 53.5° |
H22 | C2 | C3 | H3 | 50.2° | 171.9° |
C4 | C3 | O3 | H3 | 120.3° | 118.3° |
C3 | C4 | C5 | C24 | 128.2° | 125.1° |
C3 | C4 | C5 | C25 | 115.5° | 116.9° |
C3 | C4 | C24 | C25 | 118.5° | 114.8° |
C3 | C4 | C5 | C6 | 177.9° | 174.5° |
C3 | C4 | C5 | C10 | 45.7° | 46.5° |
C3 | C4 | C5 | H5 | 66.6° | 70.3° |
C3 | C4 | C24 | H241 | 180.0° | 61.9° |
C3 | C4 | C24 | H242 | 54.7° | 178.1° |
C3 | C4 | C24 | H243 | 54.8° | 58.1° |
C3 | C4 | C25 | H251 | 180.0° | 57.4° |
C3 | C4 | C25 | H252 | 54.8° | 62.7° |
C3 | C4 | C25 | H253 | 54.8° | 177.3° |
C4 | C3 | O3 | C29 | 178.9° | 150.0° |
O3 | C3 | C4 | C5 | 171.1° | 168.2° |
O3 | C3 | C4 | C24 | 63.6° | 41.6° |
O3 | C3 | C4 | C25 | 54.4° | 73.7° |
C3 | O3 | C29 | C30 | 22.8° | 180.0° |
C3 | O3 | C29 | O29 | 147.6° | 0.0° |
H3 | C3 | C4 | C5 | 53.7° | 73.8° |
H3 | C3 | C4 | C24 | 179.0° | 159.5° |
H3 | C3 | C4 | C25 | 63.0° | 44.2° |
H3 | C3 | O3 | C29 | 60.8° | 31.8° |
C5 | C4 | C24 | C25 | 117.9° | 118.7° |
C4 | C5 | C6 | C10 | 139.3° | 131.2° |
C4 | C5 | C6 | H5 | 105.6° | 115.6° |
C4 | C5 | C10 | H5 | 105.9° | 117.3° |
C4 | C5 | C6 | C7 | 147.3° | 162.4° |
C4 | C5 | C6 | H61 | 87.4° | 76.4° |
C4 | C5 | C6 | H62 | 22.0° | 44.8° |
C4 | C5 | C10 | C9 | 153.7° | 168.9° |
C4 | C5 | C10 | C19 | 80.6° | 67.0° |
C5 | C4 | C24 | H241 | 56.4° | 171.7° |
C5 | C4 | C24 | H242 | 68.8° | 51.6° |
C5 | C4 | C24 | H243 | 178.3° | 68.4° |
C5 | C4 | C25 | H251 | 64.0° | 178.3° |
C5 | C4 | C25 | H252 | 170.9° | 58.2° |
C5 | C4 | C25 | H253 | 61.3° | 61.8° |
C24 | C4 | C5 | C6 | 53.9° | 49.4° |
C24 | C4 | C5 | C10 | 82.6° | 78.6° |
C24 | C4 | C5 | H5 | 165.2° | 164.5° |
C4 | C24 | H241 | H242 | 125.3° | 120.1° |
C4 | C24 | H241 | H243 | 125.3° | 119.9° |
C4 | C24 | H242 | H243 | 115.7° | 119.9° |
C24 | C4 | C25 | H251 | 55.5° | 59.9° |
C24 | C4 | C25 | H252 | 69.6° | 180.0° |
C24 | C4 | C25 | H253 | 179.2° | 60.0° |
C25 | C4 | C5 | C6 | 62.4° | 68.6° |
C25 | C4 | C5 | C10 | 161.2° | 163.4° |
C25 | C4 | C5 | H5 | 48.9° | 46.5° |
C25 | C4 | C24 | H241 | 61.5° | 53.0° |
C25 | C4 | C24 | H242 | 173.3° | 67.1° |
C25 | C4 | C24 | H243 | 63.8° | 172.9° |
C4 | C25 | H251 | H252 | 125.2° | 120.1° |
C4 | C25 | H251 | H253 | 125.3° | 120.0° |
C4 | C25 | H252 | H253 | 119.1° | 120.0° |
C6 | C5 | C10 | H5 | 114.5° | 113.2° |
C5 | C6 | C7 | H61 | 125.3° | 122.3° |
C5 | C6 | C7 | H62 | 125.3° | 119.0° |
C5 | C6 | H61 | H62 | 118.1° | 121.9° |
C5 | C6 | C7 | C8 | 54.9° | 59.3° |
C5 | C6 | C7 | H71 | 179.9° | 179.7° |
C5 | C6 | C7 | H72 | 70.3° | 62.9° |
C6 | C5 | C10 | C9 | 66.7° | 61.5° |
C6 | C5 | C10 | C19 | 58.9° | 62.6° |
C10 | C5 | C6 | C7 | 73.4° | 66.4° |
C10 | C5 | C6 | H61 | 51.9° | 54.8° |
C10 | C5 | C6 | H62 | 161.3° | 176.0° |
C5 | C10 | C9 | C8 | 51.9° | 52.1° |
C5 | C10 | C9 | C19 | 126.2° | 124.5° |
C5 | C10 | C9 | C11 | 172.2° | 176.9° |
C5 | C10 | C9 | H9 | 59.4° | 67.4° |
C5 | C10 | C19 | H191 | 55.8° | 70.3° |
C5 | C10 | C19 | H192 | 179.0° | 49.7° |
C5 | C10 | C19 | H193 | 69.5° | 169.6° |
H5 | C5 | C6 | C7 | 41.7° | 46.8° |
H5 | C5 | C6 | H61 | 167.0° | 168.0° |
H5 | C5 | C6 | H62 | 83.6° | 70.8° |
H5 | C5 | C10 | C9 | 47.8° | 51.6° |
H5 | C5 | C10 | C19 | 173.5° | 175.7° |
C7 | C6 | H61 | H62 | 118.1° | 118.1° |
C6 | C7 | C8 | H71 | 125.2° | 119.7° |
C6 | C7 | C8 | H72 | 125.2° | 119.9° |
C6 | C7 | H71 | H72 | 117.1° | 116.8° |
C6 | C7 | C8 | C9 | 39.0° | 49.9° |
C6 | C7 | C8 | C14 | 155.3° | 173.1° |
C6 | C7 | C8 | C26 | 78.2° | 71.4° |
H61 | C6 | C7 | C8 | 70.4° | 63.0° |
H61 | C6 | C7 | H71 | 54.8° | 57.5° |
H61 | C6 | C7 | H72 | 164.3° | 174.8° |
H62 | C6 | C7 | C8 | 179.8° | 178.3° |
H62 | C6 | C7 | H71 | 54.6° | 61.3° |
H62 | C6 | C7 | H72 | 55.0° | 56.1° |
C8 | C7 | H71 | H72 | 117.1° | 122.1° |
C7 | C8 | C9 | C14 | 121.0° | 123.8° |
C7 | C8 | C9 | C26 | 115.5° | 120.5° |
C7 | C8 | C14 | C26 | 120.8° | 116.9° |
C7 | C8 | C9 | C10 | 39.2° | 47.4° |
C7 | C8 | C9 | C11 | 177.8° | 174.4° |
C7 | C8 | C9 | H9 | 66.9° | 70.2° |
C7 | C8 | C14 | C13 | 179.5° | 178.3° |
C7 | C8 | C14 | C15 | 59.6° | 55.7° |
C7 | C8 | C14 | C27 | 62.7° | 61.0° |
C7 | C8 | C26 | H261 | 180.0° | 67.4° |
C7 | C8 | C26 | H262 | 54.7° | 172.6° |
C7 | C8 | C26 | H263 | 54.7° | 52.6° |
H71 | C7 | C8 | C9 | 164.2° | 169.6° |
H71 | C7 | C8 | C14 | 79.5° | 67.2° |
H71 | C7 | C8 | C26 | 47.0° | 48.3° |
H72 | C7 | C8 | C9 | 86.2° | 70.0° |
H72 | C7 | C8 | C14 | 30.0° | 53.2° |
H72 | C7 | C8 | C26 | 156.6° | 168.6° |
C9 | C8 | C14 | C26 | 118.5° | 118.1° |
C8 | C9 | C10 | C11 | 135.9° | 124.8° |
C8 | C9 | C10 | H9 | 111.3° | 119.5° |
C8 | C9 | C11 | H9 | 114.4° | 116.7° |
C8 | C9 | C10 | C19 | 74.3° | 72.3° |
C8 | C9 | C11 | C12 | 41.8° | 39.4° |
C8 | C9 | C11 | O11 | 135.1° | 141.7° |
C9 | C8 | C14 | C13 | 59.8° | 53.3° |
C9 | C8 | C14 | C15 | 179.7° | 179.3° |
C9 | C8 | C14 | C27 | 58.0° | 64.0° |
C9 | C8 | C26 | H261 | 60.6° | 169.3° |
C9 | C8 | C26 | H262 | 64.7° | 49.3° |
C9 | C8 | C26 | H263 | 174.1° | 70.7° |
C14 | C8 | C9 | C10 | 160.2° | 171.2° |
C14 | C8 | C9 | C11 | 61.1° | 61.8° |
C14 | C8 | C9 | H9 | 54.2° | 53.6° |
C8 | C14 | C13 | C12 | 42.7° | 21.8° |
C8 | C14 | C13 | C15 | 119.6° | 124.2° |
C8 | C14 | C13 | C27 | 123.8° | 117.3° |
C8 | C14 | C13 | C18 | 134.7° | 157.8° |
C8 | C14 | C15 | C27 | 126.6° | 116.9° |
C8 | C14 | C15 | C16 | 75.3° | 162.4° |
C8 | C14 | C15 | H151 | 49.9° | 79.5° |
C8 | C14 | C15 | H152 | 159.4° | 37.0° |
C14 | C8 | C26 | H261 | 55.7° | 51.2° |
C14 | C8 | C26 | H262 | 179.1° | 68.8° |
C14 | C8 | C26 | H263 | 69.6° | 171.3° |
C8 | C14 | C27 | H271 | 180.0° | 178.6° |
C8 | C14 | C27 | H272 | 54.7° | 58.5° |
C8 | C14 | C27 | H273 | 54.7° | 61.4° |
C26 | C8 | C9 | C10 | 76.3° | 73.1° |
C26 | C8 | C9 | C11 | 62.3° | 53.9° |
C26 | C8 | C9 | H9 | 177.6° | 169.3° |
C26 | C8 | C14 | C13 | 58.7° | 64.7° |
C26 | C8 | C14 | C15 | 61.2° | 61.3° |
C26 | C8 | C14 | C27 | 176.5° | 177.9° |
C8 | C26 | H261 | H262 | 125.3° | 120.0° |
C8 | C26 | H261 | H263 | 125.3° | 120.0° |
C8 | C26 | H262 | H263 | 119.6° | 119.9° |
C10 | C9 | C11 | H9 | 106.5° | 114.9° |
C10 | C9 | C11 | C12 | 179.1° | 167.7° |
C10 | C9 | C11 | O11 | 4.0° | 13.4° |
C9 | C10 | C19 | H191 | 63.7° | 167.9° |
C9 | C10 | C19 | H192 | 61.6° | 72.1° |
C9 | C10 | C19 | H193 | 171.1° | 47.9° |
C11 | C9 | C10 | C19 | 61.7° | 52.4° |
C9 | C11 | C12 | O11 | 177.0° | 178.9° |
C9 | C11 | C12 | C13 | 20.1° | 8.0° |
C9 | C11 | C12 | H12 | 159.9° | 172.0° |
H9 | C9 | C10 | C19 | 174.4° | 168.2° |
H9 | C9 | C11 | C12 | 72.5° | 77.4° |
H9 | C9 | C11 | O11 | 110.6° | 101.5° |
C10 | C19 | H191 | H192 | 125.3° | 119.9° |
C10 | C19 | H191 | H193 | 125.3° | 120.0° |
C10 | C19 | H192 | H193 | 123.0° | 120.0° |
C11 | C12 | C13 | H12 | 180.0° | 180.0° |
C11 | C12 | C13 | C14 | 21.8° | 1.3° |
C11 | C12 | C13 | C18 | 155.6° | 179.2° |
O11 | C11 | C12 | C13 | 156.9° | 173.0° |
O11 | C11 | C12 | H12 | 23.0° | 6.9° |
C12 | C13 | C14 | C18 | 177.4° | 179.5° |
C12 | C13 | C14 | C15 | 162.3° | 146.0° |
C12 | C13 | C14 | C27 | 81.1° | 95.5° |
C12 | C13 | C18 | C17 | 116.4° | 137.0° |
C12 | C13 | C18 | C20 | 114.8° | 101.6° |
C12 | C13 | C18 | H18 | 0.3° | 18.1° |
H12 | C12 | C13 | C14 | 158.3° | 178.7° |
H12 | C12 | C13 | C18 | 24.4° | 0.9° |
C13 | C14 | C15 | C27 | 115.4° | 118.7° |
C13 | C14 | C15 | C16 | 42.7° | 38.0° |
C13 | C14 | C15 | H151 | 167.9° | 156.1° |
C13 | C14 | C15 | H152 | 82.6° | 87.5° |
C14 | C13 | C18 | C17 | 61.0° | 42.5° |
C14 | C13 | C18 | C20 | 67.8° | 78.8° |
C14 | C13 | C18 | H18 | 177.1° | 161.5° |
C13 | C14 | C27 | H271 | 61.4° | 62.3° |
C13 | C14 | C27 | H272 | 173.2° | 177.7° |
C13 | C14 | C27 | H273 | 63.9° | 57.7° |
C18 | C13 | C14 | C15 | 15.1° | 33.6° |
C18 | C13 | C14 | C27 | 101.5° | 85.0° |
C13 | C18 | C17 | C16 | 46.5° | 55.7° |
C13 | C18 | C17 | C20 | 124.2° | 120.6° |
C13 | C18 | C17 | H18 | 121.6° | 118.6° |
C13 | C18 | C17 | C23 | 168.4° | 177.1° |
C13 | C18 | C17 | C28 | 74.4° | 64.5° |
C13 | C18 | C20 | H18 | 121.4° | 119.0° |
C13 | C18 | C20 | C21 | 161.0° | 177.2° |
C13 | C18 | C20 | H201 | 35.8° | 57.2° |
C13 | C18 | C20 | H202 | 73.7° | 61.8° |
C14 | C15 | C16 | H151 | 125.2° | 118.4° |
C14 | C15 | C16 | H152 | 125.3° | 127.5° |
C14 | C15 | H151 | H152 | 117.5° | 121.5° |
C14 | C15 | C16 | C17 | 54.3° | 55.3° |
C14 | C15 | C16 | H161 | 70.9° | 66.4° |
C14 | C15 | C16 | H162 | 179.6° | 175.3° |
C15 | C14 | C27 | H271 | 56.8° | 60.0° |
C15 | C14 | C27 | H272 | 68.5° | 60.0° |
C15 | C14 | C27 | H273 | 177.9° | 180.0° |
C27 | C14 | C15 | C16 | 158.1° | 80.7° |
C27 | C14 | C15 | H151 | 76.7° | 37.3° |
C27 | C14 | C15 | H152 | 32.8° | 153.8° |
C14 | C27 | H271 | H272 | 125.3° | 120.0° |
C14 | C27 | H271 | H273 | 125.2° | 120.0° |
C14 | C27 | H272 | H273 | 115.8° | 120.0° |
C16 | C15 | H151 | H152 | 117.5° | 116.7° |
C15 | C16 | C17 | H161 | 125.2° | 121.7° |
C15 | C16 | C17 | H162 | 125.3° | 119.9° |
C15 | C16 | H161 | H162 | 116.4° | 118.7° |
C15 | C16 | C17 | C18 | 8.3° | 64.8° |
C15 | C16 | C17 | C23 | 112.5° | 173.9° |
C15 | C16 | C17 | C28 | 130.0° | 54.9° |
H151 | C15 | C16 | C17 | 179.6° | 173.7° |
H151 | C15 | C16 | H161 | 54.3° | 51.9° |
H151 | C15 | C16 | H162 | 55.1° | 66.3° |
H152 | C15 | C16 | C17 | 71.0° | 72.2° |
H152 | C15 | C16 | H161 | 163.8° | 166.0° |
H152 | C15 | C16 | H162 | 54.3° | 47.8° |
C17 | C16 | H161 | H162 | 116.4° | 118.9° |
C16 | C17 | C18 | C23 | 122.0° | 121.4° |
C16 | C17 | C18 | C28 | 120.9° | 120.2° |
C16 | C17 | C23 | C28 | 118.4° | 120.2° |
C16 | C17 | C18 | C20 | 77.7° | 64.9° |
C16 | C17 | C18 | H18 | 168.0° | 174.3° |
C16 | C17 | C23 | C22 | 68.4° | 63.6° |
C16 | C17 | C23 | H231 | 166.3° | 56.4° |
C16 | C17 | C23 | H232 | 57.0° | 174.2° |
C16 | C17 | C28 | H281 | 180.0° | 60.5° |
C16 | C17 | C28 | H282 | 54.7° | 179.5° |
C16 | C17 | C28 | H283 | 54.7° | 59.4° |
H161 | C16 | C17 | C18 | 117.0° | 56.9° |
H161 | C16 | C17 | C23 | 122.3° | 64.4° |
H161 | C16 | C17 | C28 | 4.7° | 176.6° |
H162 | C16 | C17 | C18 | 133.6° | 175.3° |
H162 | C16 | C17 | C23 | 12.9° | 54.0° |
H162 | C16 | C17 | C28 | 104.7° | 65.0° |
C18 | C17 | C23 | C28 | 118.9° | 119.2° |
C17 | C18 | C20 | H18 | 115.1° | 120.5° |
C17 | C18 | C20 | C21 | 37.6° | 56.8° |
C17 | C18 | C20 | H201 | 87.7° | 63.3° |
C17 | C18 | C20 | H202 | 162.9° | 177.7° |
C18 | C17 | C23 | C22 | 54.3° | 57.0° |
C18 | C17 | C23 | H231 | 71.0° | 177.1° |
C18 | C17 | C23 | H232 | 179.6° | 65.2° |
C18 | C17 | C28 | H281 | 57.4° | 179.8° |
C18 | C17 | C28 | H282 | 67.9° | 59.8° |
C18 | C17 | C28 | H283 | 177.3° | 60.2° |
C23 | C17 | C18 | C20 | 44.2° | 56.5° |
C23 | C17 | C18 | H18 | 70.0° | 64.3° |
C17 | C23 | C22 | C21 | 58.8° | 57.1° |
C17 | C23 | C22 | H231 | 125.3° | 119.7° |
C17 | C23 | C22 | H232 | 125.3° | 121.6° |
C17 | C23 | C22 | H221 | 66.4° | 63.8° |
C17 | C23 | C22 | H222 | 175.9° | 177.6° |
C17 | C23 | H231 | H232 | 116.3° | 118.6° |
C23 | C17 | C28 | H281 | 60.4° | 60.0° |
C23 | C17 | C28 | H282 | 174.3° | 60.0° |
C23 | C17 | C28 | H283 | 64.9° | 180.0° |
C28 | C17 | C18 | C20 | 161.4° | 174.9° |
C28 | C17 | C18 | H18 | 47.1° | 54.1° |
C28 | C17 | C23 | C22 | 173.2° | 176.1° |
C28 | C17 | C23 | H231 | 47.9° | 63.8° |
C28 | C17 | C23 | H232 | 61.5° | 54.0° |
C17 | C28 | H281 | H282 | 125.3° | 120.0° |
C17 | C28 | H281 | H283 | 125.3° | 119.9° |
C17 | C28 | H282 | H283 | 118.4° | 120.0° |
C18 | C20 | C21 | H201 | 125.2° | 121.1° |
C18 | C20 | C21 | H202 | 125.3° | 121.2° |
C18 | C20 | H201 | H202 | 115.6° | 119.7° |
C18 | C20 | C21 | C22 | 35.5° | 56.1° |
C18 | C20 | C21 | C33 | 87.8° | 66.2° |
C18 | C20 | C21 | C34 | 157.7° | 174.9° |
H18 | C18 | C20 | C21 | 77.5° | 63.7° |
H18 | C18 | C20 | H201 | 157.2° | 176.3° |
H18 | C18 | C20 | H202 | 47.8° | 57.2° |
H191 | C19 | H192 | H193 | 122.9° | 120.1° |
C21 | C20 | H201 | H202 | 115.6° | 118.2° |
C20 | C21 | C22 | C33 | 122.0° | 122.2° |
C20 | C21 | C22 | C34 | 120.9° | 118.8° |
C20 | C21 | C33 | C34 | 116.6° | 118.9° |
C20 | C21 | C22 | C23 | 46.8° | 56.0° |
C20 | C21 | C22 | H221 | 78.5° | 65.0° |
C20 | C21 | C22 | H222 | 172.0° | 176.7° |
C20 | C21 | C33 | O34 | 78.6° | 0.0° |
C20 | C21 | C33 | O35 | 106.9° | 180.0° |
C20 | C21 | C34 | H341 | 180.0° | 180.0° |
C20 | C21 | C34 | H342 | 54.7° | 60.0° |
C20 | C21 | C34 | H343 | 54.7° | 60.0° |
H201 | C20 | C21 | C22 | 89.7° | 65.0° |
H201 | C20 | C21 | C33 | 146.9° | 172.8° |
H201 | C20 | C21 | C34 | 32.5° | 53.9° |
H202 | C20 | C21 | C22 | 160.8° | 177.2° |
H202 | C20 | C21 | C33 | 37.4° | 55.0° |
H202 | C20 | C21 | C34 | 77.0° | 63.9° |
C22 | C21 | C33 | C34 | 120.4° | 119.1° |
C21 | C22 | C23 | H221 | 125.3° | 120.9° |
C21 | C22 | C23 | H222 | 125.3° | 120.5° |
C21 | C22 | H221 | H222 | 115.6° | 118.8° |
C21 | C22 | C23 | H231 | 66.5° | 176.9° |
C21 | C22 | C23 | H232 | 175.9° | 64.4° |
C22 | C21 | C33 | O34 | 44.4° | 122.1° |
C22 | C21 | C33 | O35 | 130.1° | 58.0° |
C22 | C21 | C34 | H341 | 57.8° | 60.2° |
C22 | C21 | C34 | H342 | 67.5° | 59.8° |
C22 | C21 | C34 | H343 | 176.9° | 179.8° |
C33 | C21 | C22 | C23 | 75.2° | 66.1° |
C33 | C21 | C22 | H221 | 159.5° | 172.8° |
C33 | C21 | C22 | H222 | 50.0° | 54.5° |
C21 | C33 | O34 | O35 | 174.7° | 180.0° |
C33 | C21 | C34 | H341 | 63.0° | 60.0° |
C33 | C21 | C34 | H342 | 171.7° | 180.0° |
C33 | C21 | C34 | H343 | 62.3° | 60.0° |
C21 | C33 | O35 | H35 | 179.9° | 180.0° |
C34 | C21 | C22 | C23 | 167.6° | 174.9° |
C34 | C21 | C22 | H221 | 42.4° | 53.8° |
C34 | C21 | C22 | H222 | 67.1° | 64.5° |
C34 | C21 | C33 | O34 | 164.8° | 118.9° |
C34 | C21 | C33 | O35 | 9.6° | 61.1° |
C21 | C34 | H341 | H342 | 125.2° | 120.0° |
C21 | C34 | H341 | H343 | 125.2° | 120.0° |
C21 | C34 | H342 | H343 | 118.4° | 120.0° |
C23 | C22 | H221 | H222 | 115.6° | 119.2° |
C22 | C23 | H231 | H232 | 116.4° | 120.2° |
H221 | C22 | C23 | H231 | 168.3° | 55.9° |
H221 | C22 | C23 | H232 | 58.9° | 174.6° |
H222 | C22 | C23 | H231 | 58.8° | 62.7° |
H222 | C22 | C23 | H232 | 50.6° | 56.1° |
H241 | C24 | H242 | H243 | 115.5° | 120.0° |
H251 | C25 | H252 | H253 | 119.1° | 120.0° |
H261 | C26 | H262 | H263 | 119.6° | 120.0° |
H271 | C27 | H272 | H273 | 115.9° | 120.0° |
H281 | C28 | H282 | H283 | 118.4° | 120.1° |
C30 | C29 | O3 | O29 | 170.4° | 179.9° |
C29 | C30 | C31 | H301 | 125.2° | 120.1° |
C29 | C30 | C31 | H302 | 125.2° | 119.9° |
C29 | C30 | H301 | H302 | 115.6° | 119.9° |
C29 | C30 | C31 | C32 | 138.3° | 179.9° |
C29 | C30 | C31 | H311 | 96.4° | 59.9° |
C29 | C30 | C31 | H312 | 13.1° | 60.1° |
O3 | C29 | C30 | C31 | 144.7° | 180.0° |
O3 | C29 | C30 | H301 | 19.5° | 59.9° |
O3 | C29 | C30 | H302 | 90.0° | 60.1° |
O29 | C29 | C30 | C31 | 45.2° | 0.1° |
O29 | C29 | C30 | H301 | 170.4° | 120.0° |
O29 | C29 | C30 | H302 | 80.0° | 120.0° |
C31 | C30 | H301 | H302 | 115.6° | 120.0° |
C30 | C31 | C32 | H311 | 125.3° | 120.0° |
C30 | C31 | C32 | H312 | 125.3° | 120.0° |
C30 | C31 | H311 | H312 | 116.9° | 120.0° |
C30 | C31 | C32 | O32 | 156.2° | 0.0° |
C30 | C31 | C32 | O33 | 24.1° | 180.0° |
H301 | C30 | C31 | C32 | 13.1° | 60.0° |
H301 | C30 | C31 | H311 | 138.4° | 180.0° |
H301 | C30 | C31 | H312 | 112.1° | 60.0° |
H302 | C30 | C31 | C32 | 96.4° | 60.0° |
H302 | C30 | C31 | H311 | 28.8° | 59.9° |
H302 | C30 | C31 | H312 | 138.3° | 180.0° |
C32 | C31 | H311 | H312 | 116.9° | 120.0° |
C31 | C32 | O32 | O33 | 179.8° | 180.0° |
C31 | C32 | O33 | H33 | 180.0° | 180.0° |
H311 | C31 | C32 | O32 | 78.6° | 120.0° |
H311 | C31 | C32 | O33 | 101.2° | 60.0° |
H312 | C31 | C32 | O32 | 30.9° | 120.0° |
H312 | C31 | C32 | O33 | 149.3° | 60.0° |
O32 | C32 | O33 | H33 | 0.3° | 0.0° |
O34 | C33 | O35 | H35 | 5.5° | 0.1° |
H341 | C34 | H342 | H343 | 118.5° | 120.1° |