NGU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
C1 | C21 | sing | 1.40Å | 1.43Å | Aromatic |
C1 | O1 | sing | 1.35Å | 1.36Å | |
C2 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
C2 | C34 | sing | 1.51Å | 1.59Å | |
C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
C4 | O4 | sing | 1.36Å | 1.34Å | |
C5 | C16 | sing | 1.47Å | 1.48Å | |
C5 | C17 | sing | 1.48Å | 1.42Å | |
C5 | O5 | doub | 1.22Å | 1.27Å | |
C6 | C17 | sing | 1.39Å | 1.36Å | Aromatic |
C6 | C18 | doub | 1.40Å | 1.46Å | Aromatic |
C6 | O6 | sing | 1.36Å | 1.38Å | |
C7 | C8 | sing | 1.53Å | 1.56Å | |
C7 | C18 | sing | 1.51Å | 1.53Å | |
C7 | O7 | sing | 1.43Å | 1.47Å | |
C7 | H7 | sing | 1.09Å | 1.11Å | |
C8 | C9 | sing | 1.53Å | 1.59Å | |
C8 | H81 | sing | 1.09Å | 1.11Å | |
C8 | H82 | sing | 1.09Å | 1.11Å | |
C9 | C10 | sing | 1.53Å | 1.52Å | |
C9 | C13 | sing | 1.53Å | 1.42Å | |
C9 | O9 | sing | 1.43Å | 1.46Å | |
C10 | C14 | sing | 1.51Å | 1.51Å | |
C10 | C19 | sing | 1.51Å | 1.57Å | |
C10 | H10 | sing | 1.09Å | 1.12Å | |
C11 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
C11 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.10Å | |
C12 | C20 | sing | 1.48Å | 1.44Å | |
C12 | C21 | sing | 1.47Å | 1.51Å | |
C12 | O12 | doub | 1.22Å | 1.27Å | |
C13 | H131 | sing | 1.09Å | 1.12Å | |
C13 | H132 | sing | 1.09Å | 1.11Å | |
C13 | H133 | sing | 1.09Å | 1.12Å | |
C14 | O10 | sing | 1.34Å | 1.32Å | |
C14 | O14 | doub | 1.21Å | 1.16Å | |
C15 | O10 | sing | 1.45Å | 1.43Å | |
C15 | H151 | sing | 1.09Å | 1.11Å | |
C15 | H152 | sing | 1.09Å | 1.12Å | |
C15 | H153 | sing | 1.09Å | 1.11Å | |
C16 | C21 | doub | 1.41Å | 1.44Å | Aromatic |
C17 | C20 | doub | 1.41Å | 1.45Å | Aromatic |
C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
O1 | C30 | sing | 1.41Å | 1.44Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
O7 | C1' | sing | 1.43Å | 1.39Å | |
O9 | HO9 | sing | 0.97Å | 0.95Å | |
C1' | C2' | sing | 1.53Å | 1.58Å | |
C1' | O1' | sing | 1.43Å | 1.45Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
C2' | C3' | sing | 1.53Å | 1.55Å | |
C2' | O2' | sing | 1.43Å | 1.42Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
C3' | C4' | sing | 1.53Å | 1.54Å | |
C3' | C28 | sing | 1.53Å | 1.65Å | |
C3' | O3' | sing | 1.43Å | 1.39Å | |
C4' | C5' | sing | 1.53Å | 1.47Å | |
C4' | O4' | sing | 1.43Å | 1.38Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
C5' | C25 | sing | 1.53Å | 1.57Å | |
C5' | O1' | sing | 1.43Å | 1.47Å | |
C5' | H5' | sing | 1.09Å | 1.12Å | |
C25 | H251 | sing | 1.09Å | 1.11Å | |
C25 | H252 | sing | 1.09Å | 1.12Å | |
C25 | H253 | sing | 1.09Å | 1.11Å | |
C26 | O4' | sing | 1.43Å | 1.41Å | |
C26 | H261 | sing | 1.09Å | 1.12Å | |
C26 | H262 | sing | 1.09Å | 1.12Å | |
C26 | H263 | sing | 1.09Å | 1.11Å | |
C27 | O3' | sing | 1.43Å | 1.46Å | |
C27 | H271 | sing | 1.09Å | 1.12Å | |
C27 | H272 | sing | 1.09Å | 1.12Å | |
C27 | H273 | sing | 1.09Å | 1.12Å | |
C28 | H281 | sing | 1.09Å | 1.11Å | |
C28 | H282 | sing | 1.09Å | 1.12Å | |
C28 | H283 | sing | 1.09Å | 1.11Å | |
C29 | O2' | sing | 1.43Å | 1.45Å | |
C29 | H291 | sing | 1.09Å | 1.11Å | |
C29 | H292 | sing | 1.09Å | 1.12Å | |
C29 | H293 | sing | 1.09Å | 1.12Å | |
C30 | C31 | sing | 1.51Å | 1.50Å | |
C30 | O2 | sing | 1.41Å | 1.51Å | |
C30 | H30 | sing | 1.09Å | 1.12Å | |
C31 | C32 | sing | 1.52Å | 1.53Å | |
C31 | O15 | sing | 1.43Å | 1.44Å | |
C31 | H31 | sing | 1.09Å | 1.12Å | |
C32 | C33 | sing | 1.54Å | 1.52Å | |
C32 | N1 | sing | 1.47Å | 1.49Å | |
C32 | H32 | sing | 1.09Å | 1.11Å | |
C33 | C34 | sing | 1.54Å | 1.52Å | |
C33 | O16 | sing | 1.43Å | 1.39Å | |
C33 | H33 | sing | 1.09Å | 1.12Å | |
C34 | C22 | sing | 1.53Å | 1.57Å | |
C34 | O2 | sing | 1.43Å | 1.46Å | |
C22 | H221 | sing | 1.09Å | 1.12Å | |
C22 | H222 | sing | 1.09Å | 1.12Å | |
C22 | H223 | sing | 1.09Å | 1.11Å | |
C23 | N1 | sing | 1.47Å | 1.44Å | |
C23 | O23 | sing | 1.43Å | 1.26Å | |
C23 | H231 | sing | 1.09Å | 1.11Å | |
C23 | H232 | sing | 1.09Å | 1.12Å | |
C24 | N1 | sing | 1.47Å | 1.53Å | |
C24 | H241 | sing | 1.09Å | 1.12Å | |
C24 | H242 | sing | 1.09Å | 1.12Å | |
C24 | H243 | sing | 1.09Å | 1.11Å | |
O15 | H15 | sing | 0.97Å | 0.95Å | |
O16 | H16 | sing | 0.97Å | 0.95Å | |
O23 | H23 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C21 | 120.4° | 119.3° |
C2 | C1 | O1 | 124.3° | 122.0° |
C1 | C2 | C3 | 121.1° | 120.6° |
C1 | C2 | C34 | 116.2° | 120.3° |
C21 | C1 | O1 | 115.2° | 118.6° |
C1 | C21 | C12 | 122.6° | 120.3° |
C1 | C21 | C16 | 118.2° | 120.0° |
C1 | O1 | C30 | 121.8° | 111.4° |
C3 | C2 | C34 | 122.7° | 119.1° |
C2 | C3 | C4 | 119.0° | 120.7° |
C2 | C3 | H3 | 121.7° | 119.7° |
C2 | C34 | C33 | 114.8° | 108.5° |
C2 | C34 | C22 | 113.8° | 110.5° |
C2 | C34 | O2 | 106.9° | 108.6° |
C4 | C3 | H3 | 119.3° | 119.7° |
C3 | C4 | C16 | 121.0° | 119.7° |
C3 | C4 | O4 | 116.3° | 120.2° |
C16 | C4 | O4 | 122.7° | 120.0° |
C4 | C16 | C5 | 119.0° | 120.6° |
C4 | C16 | C21 | 120.3° | 119.6° |
C4 | O4 | HO4 | 116.3° | 106.7° |
C16 | C5 | C17 | 119.6° | 118.9° |
C16 | C5 | O5 | 117.9° | 120.4° |
C5 | C16 | C21 | 120.7° | 119.7° |
C17 | C5 | O5 | 122.4° | 120.6° |
C5 | C17 | C6 | 123.3° | 120.9° |
C5 | C17 | C20 | 120.5° | 119.6° |
C17 | C6 | C18 | 125.0° | 120.2° |
C17 | C6 | O6 | 117.6° | 119.9° |
C6 | C17 | C20 | 116.3° | 119.4° |
C18 | C6 | O6 | 117.4° | 120.0° |
C6 | C18 | C7 | 116.7° | 117.4° |
C6 | C18 | C19 | 115.8° | 120.0° |
C6 | O6 | HO6 | 117.6° | 106.8° |
C8 | C7 | C18 | 109.5° | 110.6° |
C8 | C7 | O7 | 107.5° | 109.3° |
C8 | C7 | H7 | 109.1° | 109.2° |
C7 | C8 | C9 | 114.6° | 108.4° |
C7 | C8 | H81 | 110.3° | 109.7° |
C7 | C8 | H82 | 110.3° | 109.7° |
C18 | C7 | O7 | 103.7° | 109.2° |
C18 | C7 | H7 | 112.5° | 109.3° |
C7 | C18 | C19 | 127.4° | 122.6° |
O7 | C7 | H7 | 114.3° | 109.3° |
C7 | O7 | C1' | 115.9° | 106.8° |
C9 | C8 | H81 | 110.3° | 109.7° |
C9 | C8 | H82 | 110.4° | 109.7° |
C8 | C9 | C10 | 108.6° | 108.3° |
C8 | C9 | C13 | 112.7° | 109.7° |
C8 | C9 | O9 | 104.8° | 109.7° |
H81 | C8 | H82 | 100.0° | 109.7° |
C10 | C9 | C13 | 113.3° | 109.7° |
C10 | C9 | O9 | 106.0° | 109.8° |
C9 | C10 | C14 | 108.3° | 109.2° |
C9 | C10 | C19 | 113.0° | 110.7° |
C9 | C10 | H10 | 107.9° | 109.3° |
C13 | C9 | O9 | 111.0° | 109.7° |
C9 | C13 | H131 | 112.7° | 109.5° |
C9 | C13 | H132 | 111.1° | 109.5° |
C9 | C13 | H133 | 111.0° | 109.5° |
C9 | O9 | HO9 | 104.7° | 106.8° |
C14 | C10 | C19 | 109.4° | 109.2° |
C14 | C10 | H10 | 111.6° | 109.2° |
C10 | C14 | O10 | 115.4° | 120.1° |
C10 | C14 | O14 | 133.3° | 119.9° |
C19 | C10 | H10 | 106.8° | 109.3° |
C10 | C19 | C11 | 119.4° | 117.3° |
C10 | C19 | C18 | 118.3° | 122.5° |
C19 | C11 | C20 | 119.1° | 120.6° |
C19 | C11 | H11 | 119.7° | 119.7° |
C11 | C19 | C18 | 122.3° | 120.2° |
C20 | C11 | H11 | 121.3° | 119.7° |
C11 | C20 | C12 | 116.4° | 120.9° |
C11 | C20 | C17 | 121.4° | 119.5° |
C20 | C12 | C21 | 117.9° | 119.1° |
C20 | C12 | O12 | 118.5° | 120.5° |
C12 | C20 | C17 | 122.1° | 119.6° |
C21 | C12 | O12 | 123.6° | 120.4° |
C12 | C21 | C16 | 119.2° | 119.7° |
H131 | C13 | H132 | 111.1° | 109.5° |
H131 | C13 | H133 | 111.0° | 109.4° |
H132 | C13 | H133 | 99.3° | 109.4° |
O10 | C14 | O14 | 110.5° | 120.0° |
C14 | O10 | C15 | 116.3° | 120.1° |
O10 | C15 | H151 | 116.3° | 109.5° |
O10 | C15 | H152 | 109.7° | 109.4° |
O10 | C15 | H153 | 109.8° | 109.5° |
H151 | C15 | H152 | 109.7° | 109.4° |
H151 | C15 | H153 | 109.7° | 109.4° |
H152 | C15 | H153 | 100.4° | 109.5° |
O1 | C30 | C31 | 113.5° | 114.1° |
O1 | C30 | O2 | 105.3° | 114.0° |
O1 | C30 | H30 | 110.2° | 104.8° |
O7 | C1' | C2' | 111.4° | 109.4° |
O7 | C1' | O1' | 115.6° | 109.4° |
O7 | C1' | H1' | 103.7° | 109.4° |
C2' | C1' | O1' | 109.5° | 109.8° |
C2' | C1' | H1' | 110.6° | 109.4° |
C1' | C2' | C3' | 110.9° | 109.0° |
C1' | C2' | O2' | 107.8° | 109.6° |
C1' | C2' | H2' | 108.1° | 109.5° |
O1' | C1' | H1' | 105.8° | 109.4° |
C1' | O1' | C5' | 114.5° | 107.7° |
C3' | C2' | O2' | 104.3° | 109.6° |
C3' | C2' | H2' | 111.4° | 109.5° |
C2' | C3' | C4' | 108.1° | 108.6° |
C2' | C3' | C28 | 103.7° | 109.6° |
C2' | C3' | O3' | 107.9° | 109.6° |
O2' | C2' | H2' | 114.3° | 109.6° |
C2' | O2' | C29 | 118.9° | 106.8° |
C4' | C3' | C28 | 118.5° | 109.7° |
C4' | C3' | O3' | 104.3° | 109.6° |
C3' | C4' | C5' | 110.5° | 109.1° |
C3' | C4' | O4' | 122.4° | 109.5° |
C3' | C4' | H4' | 102.0° | 109.6° |
C28 | C3' | O3' | 113.9° | 109.7° |
C3' | C28 | H281 | 103.6° | 109.5° |
C3' | C28 | H282 | 114.4° | 109.5° |
C3' | C28 | H283 | 114.4° | 109.4° |
C3' | O3' | C27 | 124.7° | 106.8° |
C5' | C4' | O4' | 117.6° | 109.5° |
C5' | C4' | H4' | 109.8° | 109.6° |
C4' | C5' | C25 | 113.5° | 109.4° |
C4' | C5' | O1' | 112.2° | 109.8° |
C4' | C5' | H5' | 102.7° | 109.4° |
O4' | C4' | H4' | 90.1° | 109.5° |
C4' | O4' | C26 | 121.7° | 106.8° |
C25 | C5' | O1' | 102.6° | 109.3° |
C25 | C5' | H5' | 112.4° | 109.4° |
C5' | C25 | H251 | 113.5° | 109.5° |
C5' | C25 | H252 | 110.7° | 109.5° |
C5' | C25 | H253 | 110.7° | 109.5° |
O1' | C5' | H5' | 113.7° | 109.5° |
H251 | C25 | H252 | 110.8° | 109.5° |
H251 | C25 | H253 | 110.7° | 109.4° |
H252 | C25 | H253 | 99.6° | 109.5° |
O4' | C26 | H261 | 121.7° | 109.5° |
O4' | C26 | H262 | 107.8° | 109.5° |
O4' | C26 | H263 | 107.9° | 109.4° |
H261 | C26 | H262 | 107.9° | 109.5° |
H261 | C26 | H263 | 107.9° | 109.5° |
H262 | C26 | H263 | 102.0° | 109.5° |
O3' | C27 | H271 | 124.7° | 109.5° |
O3' | C27 | H272 | 106.9° | 109.4° |
O3' | C27 | H273 | 106.9° | 109.4° |
H271 | C27 | H272 | 106.8° | 109.6° |
H271 | C27 | H273 | 106.8° | 109.5° |
H272 | C27 | H273 | 102.8° | 109.5° |
H281 | C28 | H282 | 114.4° | 109.5° |
H281 | C28 | H283 | 114.5° | 109.5° |
H282 | C28 | H283 | 96.0° | 109.4° |
O2' | C29 | H291 | 119.0° | 109.5° |
O2' | C29 | H292 | 108.8° | 109.5° |
O2' | C29 | H293 | 108.8° | 109.4° |
H291 | C29 | H292 | 108.8° | 109.5° |
H291 | C29 | H293 | 108.8° | 109.5° |
H292 | C29 | H293 | 101.2° | 109.5° |
C31 | C30 | O2 | 111.0° | 113.0° |
C31 | C30 | H30 | 104.3° | 104.8° |
C30 | C31 | C32 | 113.7° | 111.4° |
C30 | C31 | O15 | 109.5° | 108.8° |
C30 | C31 | H31 | 107.6° | 109.0° |
O2 | C30 | H30 | 112.7° | 104.8° |
C30 | O2 | C34 | 113.2° | 108.2° |
C32 | C31 | O15 | 112.7° | 109.2° |
C32 | C31 | H31 | 104.1° | 109.2° |
C31 | C32 | C33 | 116.0° | 108.2° |
C31 | C32 | N1 | 117.7° | 109.9° |
C31 | C32 | H32 | 97.4° | 109.7° |
O15 | C31 | H31 | 108.8° | 109.2° |
C31 | O15 | H15 | 109.5° | 106.7° |
C33 | C32 | N1 | 108.2° | 109.7° |
C33 | C32 | H32 | 109.3° | 109.7° |
C32 | C33 | C34 | 112.0° | 107.5° |
C32 | C33 | O16 | 104.8° | 109.9° |
C32 | C33 | H33 | 112.1° | 109.8° |
N1 | C32 | H32 | 107.1° | 109.7° |
C32 | N1 | C23 | 117.7° | 106.7° |
C32 | N1 | C24 | 119.2° | 106.7° |
C34 | C33 | O16 | 112.8° | 109.9° |
C34 | C33 | H33 | 104.1° | 109.9° |
C33 | C34 | C22 | 110.2° | 110.2° |
C33 | C34 | O2 | 107.1° | 108.7° |
O16 | C33 | H33 | 111.3° | 109.8° |
C33 | O16 | H16 | 104.7° | 106.8° |
C22 | C34 | O2 | 103.1° | 110.2° |
C34 | C22 | H221 | 113.7° | 109.5° |
C34 | C22 | H222 | 110.7° | 109.5° |
C34 | C22 | H223 | 110.6° | 109.5° |
H221 | C22 | H222 | 110.6° | 109.5° |
H221 | C22 | H223 | 110.6° | 109.5° |
H222 | C22 | H223 | 99.7° | 109.4° |
N1 | C23 | O23 | 166.9° | 109.5° |
N1 | C23 | H231 | 93.8° | 109.4° |
N1 | C23 | H232 | 93.8° | 109.5° |
C23 | N1 | C24 | 115.0° | 106.7° |
O23 | C23 | H231 | 93.8° | 109.5° |
O23 | C23 | H232 | 93.8° | 109.5° |
C23 | O23 | H23 | 166.9° | 106.8° |
H231 | C23 | H232 | 109.2° | 109.5° |
N1 | C24 | H241 | 119.2° | 109.5° |
N1 | C24 | H242 | 108.7° | 109.4° |
N1 | C24 | H243 | 108.7° | 109.4° |
H241 | C24 | H242 | 108.7° | 109.5° |
H241 | C24 | H243 | 108.7° | 109.5° |
H242 | C24 | H243 | 101.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C21 | O1 | 177.5° | 179.4° |
C1 | C2 | C3 | C34 | 178.3° | 178.6° |
C1 | C2 | C3 | C4 | 2.3° | 0.7° |
C1 | C2 | C3 | H3 | 177.8° | 179.4° |
C2 | C1 | C21 | C12 | 178.6° | 180.0° |
C2 | C1 | C21 | C16 | 2.9° | 0.1° |
C2 | C1 | O1 | C30 | 5.1° | 16.0° |
C1 | C2 | C34 | C33 | 93.8° | 98.1° |
C1 | C2 | C34 | C22 | 138.0° | 140.9° |
C1 | C2 | C34 | O2 | 24.9° | 19.9° |
C21 | C1 | C2 | C3 | 3.2° | 0.2° |
C21 | C1 | C2 | C34 | 178.4° | 178.4° |
C1 | C21 | C16 | C4 | 1.6° | 0.9° |
C1 | C21 | C16 | C5 | 180.0° | 179.7° |
C1 | C21 | C12 | C20 | 179.9° | 165.7° |
C1 | C21 | C12 | C16 | 178.5° | 179.9° |
C1 | C21 | C12 | O12 | 0.4° | 14.2° |
C21 | C1 | O1 | C30 | 172.3° | 164.6° |
O1 | C1 | C2 | C3 | 179.6° | 179.2° |
O1 | C1 | C2 | C34 | 1.2° | 2.2° |
O1 | C1 | C21 | C12 | 1.2° | 0.6° |
O1 | C1 | C21 | C16 | 179.7° | 179.3° |
C1 | O1 | C30 | C31 | 86.8° | 81.3° |
C1 | O1 | C30 | O2 | 34.8° | 50.6° |
C1 | O1 | C30 | H30 | 156.6° | 164.6° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C16 | 1.0° | 1.7° |
C2 | C3 | C4 | O4 | 179.4° | 180.0° |
C3 | C2 | C34 | C33 | 87.9° | 80.5° |
C3 | C2 | C34 | C22 | 40.4° | 40.4° |
C3 | C2 | C34 | O2 | 153.4° | 161.4° |
C34 | C2 | C3 | C4 | 179.5° | 179.3° |
C34 | C2 | C3 | H3 | 0.5° | 0.7° |
C2 | C34 | O2 | C30 | 58.4° | 50.2° |
C2 | C34 | C33 | C32 | 62.3° | 51.8° |
C2 | C34 | C33 | C22 | 130.0° | 121.1° |
C2 | C34 | C33 | O2 | 118.6° | 118.0° |
C2 | C34 | C33 | O16 | 55.6° | 67.8° |
C2 | C34 | C33 | H33 | 176.4° | 171.3° |
C2 | C34 | C22 | O2 | 115.4° | 120.1° |
C2 | C34 | C22 | H221 | 180.0° | 60.0° |
C2 | C34 | C22 | H222 | 54.8° | 179.9° |
C2 | C34 | C22 | H223 | 54.8° | 59.9° |
C3 | C4 | C16 | O4 | 178.2° | 178.3° |
C3 | C4 | C16 | C5 | 179.1° | 179.4° |
C3 | C4 | C16 | C21 | 0.8° | 1.8° |
C3 | C4 | O4 | HO4 | 180.0° | 90.0° |
H3 | C3 | C4 | C16 | 179.0° | 178.3° |
H3 | C3 | C4 | O4 | 0.7° | 0.0° |
C4 | C16 | C5 | C21 | 178.4° | 178.7° |
C4 | C16 | C5 | C17 | 178.0° | 166.1° |
C4 | C16 | C5 | O5 | 1.4° | 13.6° |
C4 | C16 | C21 | C12 | 179.8° | 179.0° |
C16 | C4 | O4 | HO4 | 1.7° | 88.3° |
O4 | C4 | C16 | C5 | 2.6° | 1.1° |
O4 | C4 | C16 | C21 | 179.0° | 179.9° |
C16 | C5 | C17 | O5 | 176.4° | 179.7° |
C16 | C5 | C17 | C6 | 178.9° | 166.0° |
C5 | C16 | C21 | C12 | 1.5° | 0.2° |
C16 | C5 | C17 | C20 | 2.1° | 15.5° |
C5 | C17 | C6 | C20 | 179.0° | 178.5° |
C5 | C17 | C6 | C18 | 178.1° | 180.0° |
C5 | C17 | C6 | O6 | 1.1° | 0.0° |
C5 | C17 | C20 | C11 | 178.8° | 179.2° |
C5 | C17 | C20 | C12 | 1.9° | 0.9° |
C17 | C5 | C16 | C21 | 0.4° | 15.2° |
O5 | C5 | C17 | C6 | 2.5° | 13.7° |
O5 | C5 | C16 | C21 | 177.0° | 165.1° |
O5 | C5 | C17 | C20 | 178.5° | 164.8° |
C17 | C6 | C18 | O6 | 179.2° | 180.0° |
C17 | C6 | C18 | C7 | 179.2° | 179.5° |
C6 | C17 | C20 | C11 | 2.1° | 0.7° |
C6 | C17 | C20 | C12 | 179.0° | 179.4° |
C17 | C6 | C18 | C19 | 2.2° | 1.6° |
C17 | C6 | O6 | HO6 | 179.9° | 92.8° |
C6 | C18 | C7 | C8 | 171.3° | 163.3° |
C6 | C18 | C7 | C19 | 176.7° | 178.9° |
C6 | C18 | C7 | O7 | 74.2° | 43.0° |
C6 | C18 | C7 | H7 | 49.8° | 76.4° |
C6 | C18 | C19 | C10 | 177.8° | 179.5° |
C6 | C18 | C19 | C11 | 0.3° | 0.9° |
C18 | C6 | C17 | C20 | 0.9° | 1.5° |
C18 | C6 | O6 | HO6 | 0.8° | 87.3° |
O6 | C6 | C18 | C7 | 1.6° | 0.6° |
O6 | C6 | C17 | C20 | 179.9° | 178.4° |
O6 | C6 | C18 | C19 | 178.7° | 178.4° |
C8 | C7 | C18 | O7 | 114.5° | 120.3° |
C8 | C7 | C18 | H7 | 121.5° | 120.3° |
C8 | C7 | O7 | H7 | 121.3° | 119.5° |
C7 | C8 | C9 | H81 | 125.2° | 119.7° |
C7 | C8 | C9 | H82 | 125.2° | 119.7° |
C7 | C8 | H81 | H82 | 116.2° | 120.6° |
C7 | C8 | C9 | C10 | 61.2° | 70.0° |
C7 | C8 | C9 | C13 | 65.1° | 170.4° |
C7 | C8 | C9 | O9 | 174.1° | 49.8° |
C8 | C7 | C18 | C19 | 12.0° | 17.8° |
C8 | C7 | O7 | C1' | 111.2° | 98.0° |
C18 | C7 | O7 | H7 | 122.9° | 119.5° |
C18 | C7 | C8 | C9 | 39.3° | 51.2° |
C18 | C7 | C8 | H81 | 85.9° | 170.9° |
C18 | C7 | C8 | H82 | 164.6° | 68.5° |
C7 | C18 | C19 | C10 | 5.6° | 0.6° |
C7 | C18 | C19 | C11 | 177.0° | 179.7° |
C18 | C7 | O7 | C1' | 132.9° | 141.0° |
O7 | C7 | C8 | C9 | 72.7° | 171.5° |
O7 | C7 | C8 | H81 | 162.1° | 68.9° |
O7 | C7 | C8 | H82 | 52.5° | 51.7° |
O7 | C7 | C18 | C19 | 102.5° | 138.1° |
C7 | O7 | C1' | C2' | 155.3° | 176.7° |
C7 | O7 | C1' | O1' | 78.9° | 63.0° |
C7 | O7 | C1' | H1' | 36.4° | 56.8° |
H7 | C7 | C8 | C9 | 162.8° | 69.0° |
H7 | C7 | C8 | H81 | 37.6° | 50.6° |
H7 | C7 | C8 | H82 | 71.9° | 171.2° |
H7 | C7 | C18 | C19 | 133.5° | 102.5° |
H7 | C7 | O7 | C1' | 10.0° | 21.5° |
C9 | C8 | H81 | H82 | 116.2° | 120.6° |
C8 | C9 | C10 | C13 | 126.0° | 119.7° |
C8 | C9 | C10 | O9 | 112.1° | 119.7° |
C8 | C9 | C13 | O9 | 117.1° | 120.5° |
C8 | C9 | C10 | C14 | 69.4° | 171.3° |
C8 | C9 | C10 | C19 | 51.9° | 51.1° |
C8 | C9 | C10 | H10 | 169.6° | 69.3° |
C8 | C9 | C13 | H131 | 180.0° | 60.1° |
C8 | C9 | C13 | H132 | 54.7° | 60.0° |
C8 | C9 | C13 | H133 | 54.8° | 180.0° |
C8 | C9 | O9 | HO9 | 180.0° | 60.0° |
H81 | C8 | C9 | C10 | 64.0° | 170.4° |
H81 | C8 | C9 | C13 | 169.7° | 50.7° |
H81 | C8 | C9 | O9 | 48.9° | 69.9° |
H82 | C8 | C9 | C10 | 173.5° | 49.8° |
H82 | C8 | C9 | C13 | 60.1° | 69.9° |
H82 | C8 | C9 | O9 | 60.6° | 169.5° |
C10 | C9 | C13 | O9 | 119.1° | 120.6° |
C9 | C10 | C14 | C19 | 123.5° | 121.1° |
C9 | C10 | C14 | H10 | 118.6° | 119.4° |
C9 | C10 | C19 | H10 | 118.4° | 120.3° |
C9 | C10 | C19 | C11 | 155.9° | 162.6° |
C10 | C9 | C13 | H131 | 56.2° | 178.9° |
C10 | C9 | C13 | H132 | 178.5° | 58.8° |
C10 | C9 | C13 | H133 | 69.0° | 61.2° |
C9 | C10 | C14 | O10 | 103.2° | 88.9° |
C9 | C10 | C14 | O14 | 88.0° | 91.0° |
C9 | C10 | C19 | C18 | 26.6° | 17.7° |
C10 | C9 | O9 | HO9 | 65.2° | 178.9° |
C13 | C9 | C10 | C14 | 164.6° | 69.0° |
C13 | C9 | C10 | C19 | 74.1° | 170.8° |
C13 | C9 | C10 | H10 | 43.6° | 50.4° |
C9 | C13 | H131 | H132 | 125.3° | 120.1° |
C9 | C13 | H131 | H133 | 125.2° | 120.0° |
C9 | C13 | H132 | H133 | 116.9° | 120.0° |
C13 | C9 | O9 | HO9 | 58.2° | 60.5° |
O9 | C9 | C10 | C14 | 42.6° | 51.6° |
O9 | C9 | C10 | C19 | 163.9° | 68.6° |
O9 | C9 | C10 | H10 | 78.3° | 171.0° |
O9 | C9 | C13 | H131 | 62.9° | 60.5° |
O9 | C9 | C13 | H132 | 62.4° | 179.4° |
O9 | C9 | C13 | H133 | 171.9° | 59.5° |
C14 | C10 | C19 | H10 | 120.9° | 119.4° |
C14 | C10 | C19 | C11 | 83.4° | 42.4° |
C10 | C14 | O10 | O14 | 171.4° | 180.0° |
C10 | C14 | O10 | C15 | 129.9° | 180.0° |
C14 | C10 | C19 | C18 | 94.1° | 137.9° |
C10 | C19 | C11 | C18 | 177.4° | 179.7° |
C10 | C19 | C11 | C20 | 174.9° | 179.7° |
C10 | C19 | C11 | H11 | 5.2° | 0.4° |
C19 | C10 | C14 | O10 | 133.3° | 149.9° |
C19 | C10 | C14 | O14 | 35.5° | 30.1° |
H10 | C10 | C19 | C11 | 37.5° | 77.0° |
H10 | C10 | C14 | O10 | 15.4° | 30.5° |
H10 | C10 | C14 | O14 | 153.4° | 149.5° |
H10 | C10 | C19 | C18 | 144.9° | 102.7° |
C19 | C11 | C20 | H11 | 179.9° | 179.9° |
C19 | C11 | C20 | C12 | 179.1° | 179.8° |
C19 | C11 | C20 | C17 | 3.8° | 0.0° |
C11 | C20 | C12 | C17 | 177.1° | 179.9° |
C11 | C20 | C12 | C21 | 177.1° | 165.9° |
C11 | C20 | C12 | O12 | 3.1° | 14.1° |
C20 | C11 | C19 | C18 | 2.5° | 0.0° |
H11 | C11 | C20 | C12 | 1.0° | 0.3° |
H11 | C11 | C20 | C17 | 176.1° | 179.9° |
H11 | C11 | C19 | C18 | 177.4° | 179.9° |
C20 | C12 | C21 | O12 | 179.8° | 180.0° |
C20 | C12 | C21 | C16 | 1.7° | 14.3° |
C21 | C12 | C20 | C17 | 0.0° | 14.0° |
O12 | C12 | C21 | C16 | 178.1° | 165.7° |
O12 | C12 | C20 | C17 | 179.8° | 166.1° |
H131 | C13 | H132 | H133 | 116.9° | 119.9° |
C14 | O10 | C15 | H151 | 180.0° | 180.0° |
C14 | O10 | C15 | H152 | 54.7° | 60.0° |
C14 | O10 | C15 | H153 | 54.7° | 60.0° |
O14 | C14 | O10 | C15 | 41.5° | 0.0° |
O10 | C15 | H151 | H152 | 125.2° | 120.0° |
O10 | C15 | H151 | H153 | 125.3° | 120.0° |
O10 | C15 | H152 | H153 | 115.5° | 120.0° |
H151 | C15 | H152 | H153 | 115.5° | 120.0° |
O1 | C30 | C31 | O2 | 118.4° | 132.4° |
O1 | C30 | C31 | H30 | 119.9° | 114.1° |
O1 | C30 | O2 | H30 | 120.1° | 114.0° |
O1 | C30 | C31 | C32 | 75.5° | 78.4° |
O1 | C30 | C31 | O15 | 51.7° | 42.0° |
O1 | C30 | C31 | H31 | 169.8° | 161.1° |
O1 | C30 | O2 | C34 | 63.8° | 70.7° |
O7 | C1' | C2' | O1' | 129.1° | 120.1° |
O7 | C1' | C2' | H1' | 114.7° | 119.8° |
O7 | C1' | O1' | H1' | 114.1° | 119.9° |
O7 | C1' | C2' | C3' | 75.8° | 178.7° |
O7 | C1' | C2' | O2' | 170.7° | 58.7° |
O7 | C1' | C2' | H2' | 46.6° | 61.5° |
O7 | C1' | O1' | C5' | 73.4° | 172.3° |
C2' | C1' | O1' | H1' | 119.2° | 120.1° |
C1' | C2' | C3' | O2' | 115.7° | 120.0° |
C1' | C2' | C3' | H2' | 120.5° | 119.8° |
C1' | C2' | O2' | H2' | 120.2° | 120.1° |
C1' | C2' | C3' | C4' | 55.5° | 53.7° |
C1' | C2' | C3' | C28 | 71.1° | 173.5° |
C1' | C2' | C3' | O3' | 167.8° | 66.1° |
C2' | C1' | O1' | C5' | 53.3° | 67.6° |
C1' | C2' | O2' | C29 | 122.4° | 89.9° |
O1' | C1' | C2' | C3' | 53.3° | 61.2° |
O1' | C1' | C2' | O2' | 60.2° | 178.8° |
O1' | C1' | C2' | H2' | 175.7° | 58.6° |
C1' | O1' | C5' | C4' | 57.7° | 67.6° |
C1' | O1' | C5' | C25 | 179.9° | 52.4° |
C1' | O1' | C5' | H5' | 58.4° | 172.3° |
H1' | C1' | C2' | C3' | 169.5° | 58.9° |
H1' | C1' | C2' | O2' | 56.0° | 61.1° |
H1' | C1' | C2' | H2' | 68.1° | 178.7° |
H1' | C1' | O1' | C5' | 172.5° | 52.5° |
C3' | C2' | O2' | H2' | 121.9° | 120.2° |
C2' | C3' | C4' | C28 | 117.4° | 119.7° |
C2' | C3' | C4' | O3' | 114.7° | 119.7° |
C2' | C3' | C28 | O3' | 117.0° | 120.4° |
C2' | C3' | C4' | C5' | 58.2° | 53.7° |
C2' | C3' | C4' | O4' | 156.3° | 66.2° |
C2' | C3' | C4' | H4' | 58.5° | 173.6° |
C2' | C3' | O3' | C27 | 91.0° | 179.0° |
C2' | C3' | C28 | H281 | 180.0° | 61.1° |
C2' | C3' | C28 | H282 | 54.8° | 59.0° |
C2' | C3' | C28 | H283 | 54.7° | 178.9° |
C3' | C2' | O2' | C29 | 119.7° | 150.4° |
O2' | C2' | C3' | C4' | 60.2° | 173.6° |
O2' | C2' | C3' | C28 | 173.2° | 66.6° |
O2' | C2' | C3' | O3' | 52.0° | 53.9° |
C2' | O2' | C29 | H291 | 180.0° | 180.0° |
C2' | O2' | C29 | H292 | 54.7° | 60.0° |
C2' | O2' | C29 | H293 | 54.7° | 60.1° |
H2' | C2' | C3' | C4' | 176.0° | 66.1° |
H2' | C2' | C3' | C28 | 49.4° | 53.7° |
H2' | C2' | C3' | O3' | 71.8° | 174.1° |
H2' | C2' | O2' | C29 | 2.2° | 30.2° |
C4' | C3' | C28 | O3' | 123.2° | 120.5° |
C3' | C4' | C5' | O4' | 147.3° | 119.9° |
C3' | C4' | C5' | H4' | 111.7° | 119.9° |
C3' | C4' | O4' | H4' | 104.3° | 120.2° |
C3' | C4' | C5' | C25 | 174.4° | 58.7° |
C3' | C4' | C5' | O1' | 58.6° | 61.2° |
C3' | C4' | C5' | H5' | 63.9° | 178.5° |
C3' | C4' | O4' | C26 | 89.3° | 150.2° |
C4' | C3' | O3' | C27 | 154.1° | 59.9° |
C4' | C3' | C28 | H281 | 60.3° | 179.8° |
C4' | C3' | C28 | H282 | 174.5° | 60.1° |
C4' | C3' | C28 | H283 | 65.1° | 59.8° |
C28 | C3' | C4' | C5' | 59.2° | 173.4° |
C28 | C3' | C4' | O4' | 86.3° | 53.5° |
C28 | C3' | C4' | H4' | 175.9° | 66.7° |
C28 | C3' | O3' | C27 | 23.5° | 60.6° |
C3' | C28 | H281 | H282 | 125.2° | 120.0° |
C3' | C28 | H281 | H283 | 125.3° | 120.0° |
C3' | C28 | H282 | H283 | 120.3° | 120.0° |
O3' | C3' | C4' | C5' | 172.9° | 66.0° |
O3' | C3' | C4' | O4' | 41.7° | 174.1° |
O3' | C3' | C4' | H4' | 56.2° | 53.9° |
C3' | O3' | C27 | H271 | 180.0° | 175.4° |
C3' | O3' | C27 | H272 | 54.7° | 55.3° |
C3' | O3' | C27 | H273 | 54.7° | 64.6° |
O3' | C3' | C28 | H281 | 63.0° | 59.3° |
O3' | C3' | C28 | H282 | 62.2° | 179.3° |
O3' | C3' | C28 | H283 | 171.7° | 60.7° |
C5' | C4' | O4' | H4' | 112.5° | 120.2° |
C4' | C5' | C25 | O1' | 121.4° | 120.2° |
C4' | C5' | C25 | H5' | 116.1° | 119.8° |
C4' | C5' | O1' | H5' | 116.1° | 120.1° |
C4' | C5' | C25 | H251 | 180.0° | 60.3° |
C4' | C5' | C25 | H252 | 54.7° | 179.7° |
C4' | C5' | C25 | H253 | 54.8° | 59.7° |
C5' | C4' | O4' | C26 | 53.9° | 90.1° |
O4' | C4' | C5' | C25 | 38.3° | 178.6° |
O4' | C4' | C5' | O1' | 154.1° | 58.7° |
O4' | C4' | C5' | H5' | 83.4° | 61.5° |
C4' | O4' | C26 | H261 | 180.0° | 180.0° |
C4' | O4' | C26 | H262 | 54.7° | 59.9° |
C4' | O4' | C26 | H263 | 54.7° | 60.0° |
H4' | C4' | C5' | C25 | 62.7° | 61.2° |
H4' | C4' | C5' | O1' | 53.2° | 178.8° |
H4' | C4' | C5' | H5' | 175.6° | 58.6° |
H4' | C4' | O4' | C26 | 166.5° | 30.0° |
C25 | C5' | O1' | H5' | 121.7° | 119.9° |
C5' | C25 | H251 | H252 | 125.2° | 120.0° |
C5' | C25 | H251 | H253 | 125.2° | 120.0° |
C5' | C25 | H252 | H253 | 116.6° | 120.0° |
O1' | C5' | C25 | H251 | 58.6° | 179.5° |
O1' | C5' | C25 | H252 | 66.6° | 59.5° |
O1' | C5' | C25 | H253 | 176.1° | 60.6° |
H5' | C5' | C25 | H251 | 63.9° | 59.6° |
H5' | C5' | C25 | H252 | 170.8° | 60.5° |
H5' | C5' | C25 | H253 | 61.4° | 179.5° |
H251 | C25 | H252 | H253 | 116.6° | 120.0° |
O4' | C26 | H261 | H262 | 125.2° | 120.0° |
O4' | C26 | H261 | H263 | 125.3° | 119.9° |
O4' | C26 | H262 | H263 | 113.4° | 120.0° |
H261 | C26 | H262 | H263 | 113.5° | 120.0° |
O3' | C27 | H271 | H272 | 125.3° | 120.0° |
O3' | C27 | H271 | H273 | 125.3° | 120.0° |
O3' | C27 | H272 | H273 | 112.3° | 119.9° |
H271 | C27 | H272 | H273 | 112.2° | 120.1° |
H281 | C28 | H282 | H283 | 120.3° | 120.0° |
O2' | C29 | H291 | H292 | 125.3° | 120.1° |
O2' | C29 | H291 | H293 | 125.3° | 119.9° |
O2' | C29 | H292 | H293 | 114.5° | 120.0° |
H291 | C29 | H292 | H293 | 114.5° | 120.0° |
C31 | C30 | O2 | H30 | 116.6° | 113.6° |
C30 | C31 | C32 | O15 | 125.5° | 120.2° |
C30 | C31 | C32 | H31 | 116.9° | 120.4° |
C30 | C31 | O15 | H31 | 117.4° | 118.9° |
C30 | C31 | C32 | C33 | 38.1° | 50.5° |
C30 | C31 | C32 | N1 | 168.5° | 170.3° |
C30 | C31 | C32 | H32 | 77.6° | 69.1° |
C31 | C30 | O2 | C34 | 59.5° | 61.7° |
C30 | C31 | O15 | H15 | 180.0° | 58.2° |
O2 | C30 | C31 | C32 | 43.0° | 54.0° |
O2 | C30 | C31 | O15 | 170.1° | 174.4° |
O2 | C30 | C31 | H31 | 71.8° | 66.6° |
C30 | O2 | C34 | C33 | 65.1° | 67.7° |
C30 | O2 | C34 | C22 | 178.6° | 171.4° |
H30 | C30 | C31 | C32 | 164.6° | 167.6° |
H30 | C30 | C31 | O15 | 68.3° | 72.0° |
H30 | C30 | C31 | H31 | 49.8° | 47.0° |
H30 | C30 | O2 | C34 | 176.1° | 175.3° |
C32 | C31 | O15 | H31 | 114.9° | 119.4° |
C31 | C32 | C33 | N1 | 134.8° | 119.9° |
C31 | C32 | C33 | H32 | 108.8° | 119.6° |
C31 | C32 | N1 | H32 | 108.3° | 120.7° |
C31 | C32 | C33 | C34 | 44.6° | 56.3° |
C31 | C32 | C33 | O16 | 167.2° | 175.8° |
C31 | C32 | C33 | H33 | 71.9° | 63.3° |
C31 | C32 | N1 | C23 | 115.2° | 152.4° |
C31 | C32 | N1 | C24 | 31.9° | 38.7° |
C32 | C31 | O15 | H15 | 52.3° | 180.0° |
O15 | C31 | C32 | C33 | 163.5° | 170.7° |
O15 | C31 | C32 | N1 | 66.0° | 69.5° |
O15 | C31 | C32 | H32 | 47.8° | 51.1° |
H31 | C31 | C32 | C33 | 78.8° | 69.9° |
H31 | C31 | C32 | N1 | 51.7° | 49.8° |
H31 | C31 | C32 | H32 | 165.5° | 170.5° |
H31 | C31 | O15 | H15 | 62.6° | 60.6° |
C33 | C32 | N1 | H32 | 117.7° | 120.5° |
C32 | C33 | C34 | O16 | 117.9° | 119.6° |
C32 | C33 | C34 | H33 | 121.3° | 119.5° |
C32 | C33 | O16 | H33 | 121.4° | 120.9° |
C32 | C33 | C34 | C22 | 167.7° | 172.9° |
C32 | C33 | C34 | O2 | 56.3° | 66.2° |
C33 | C32 | N1 | C23 | 110.8° | 88.7° |
C33 | C32 | N1 | C24 | 102.0° | 157.5° |
C32 | C33 | O16 | H16 | 180.0° | 61.9° |
N1 | C32 | C33 | C34 | 179.4° | 176.1° |
N1 | C32 | C33 | O16 | 58.0° | 64.3° |
N1 | C32 | C33 | H33 | 62.9° | 56.6° |
C32 | N1 | C23 | C24 | 148.5° | 113.8° |
C32 | N1 | C23 | O23 | 110.7° | 56.5° |
C32 | N1 | C23 | H231 | 14.5° | 63.5° |
C32 | N1 | C23 | H232 | 124.0° | 176.5° |
C32 | N1 | C24 | H241 | 180.0° | 171.3° |
C32 | N1 | C24 | H242 | 54.8° | 68.6° |
C32 | N1 | C24 | H243 | 54.8° | 51.3° |
H32 | C32 | C33 | C34 | 64.2° | 63.3° |
H32 | C32 | C33 | O16 | 58.4° | 56.2° |
H32 | C32 | C33 | H33 | 179.2° | 177.1° |
H32 | C32 | N1 | C23 | 6.9° | 31.8° |
H32 | C32 | N1 | C24 | 140.2° | 82.0° |
C34 | C33 | O16 | H33 | 116.5° | 121.0° |
C33 | C34 | C22 | O2 | 114.1° | 120.0° |
C33 | C34 | C22 | H221 | 49.4° | 180.0° |
C33 | C34 | C22 | H222 | 75.8° | 60.0° |
C33 | C34 | C22 | H223 | 174.7° | 60.0° |
C34 | C33 | O16 | H16 | 58.0° | 180.0° |
O16 | C33 | C34 | C22 | 74.4° | 53.4° |
O16 | C33 | C34 | O2 | 174.2° | 174.3° |
H33 | C33 | C34 | C22 | 46.4° | 67.6° |
H33 | C33 | C34 | O2 | 65.0° | 53.3° |
H33 | C33 | O16 | H16 | 58.6° | 59.0° |
C34 | C22 | H221 | H222 | 125.3° | 120.1° |
C34 | C22 | H221 | H223 | 125.2° | 120.0° |
C34 | C22 | H222 | H223 | 116.5° | 120.0° |
O2 | C34 | C22 | H221 | 64.6° | 60.0° |
O2 | C34 | C22 | H222 | 170.1° | 60.0° |
O2 | C34 | C22 | H223 | 60.6° | 180.0° |
H221 | C22 | H222 | H223 | 116.5° | 120.0° |
N1 | C23 | O23 | H231 | 125.3° | 120.0° |
N1 | C23 | O23 | H232 | 125.2° | 120.0° |
N1 | C23 | H231 | H232 | 95.4° | 120.0° |
C23 | N1 | C24 | H241 | 32.0° | 57.5° |
C23 | N1 | C24 | H242 | 157.2° | 177.6° |
C23 | N1 | C24 | H243 | 93.2° | 62.4° |
N1 | C23 | O23 | H23 | 179.8° | 179.9° |
O23 | C23 | H231 | H232 | 95.4° | 120.0° |
O23 | C23 | N1 | C24 | 37.8° | 57.3° |
H231 | C23 | N1 | C24 | 163.0° | 177.3° |
H231 | C23 | O23 | H23 | 55.0° | 60.0° |
H232 | C23 | N1 | C24 | 87.4° | 62.8° |
H232 | C23 | O23 | H23 | 54.5° | 60.0° |
N1 | C24 | H241 | H242 | 125.2° | 120.0° |
N1 | C24 | H241 | H243 | 125.2° | 120.0° |
N1 | C24 | H242 | H243 | 114.4° | 119.9° |
H241 | C24 | H242 | H243 | 114.4° | 120.0° |