GUM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C6 | sing | 1.35Å | 1.56Å | Aromatic |
O1 | C9 | sing | 1.34Å | 1.45Å | Aromatic |
C2 | C3 | doub | 1.36Å | 1.43Å | Aromatic |
C2 | C1 | sing | 1.40Å | 1.49Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
O2 | C9 | doub | 1.22Å | 1.19Å | |
C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | C5 | doub | 1.38Å | 1.44Å | Aromatic |
C4 | O3 | sing | 1.36Å | 1.38Å | |
C5 | C6 | sing | 1.39Å | 1.48Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | C1 | doub | 1.41Å | 1.69Å | Aromatic |
C7 | C8 | doub | 1.36Å | 1.41Å | Aromatic |
C7 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.10Å | |
C8 | C1 | sing | 1.46Å | 1.47Å | Aromatic |
C8 | C10 | sing | 1.51Å | 1.51Å | |
C10 | H101 | sing | 1.09Å | 1.12Å | |
C10 | H102 | sing | 1.09Å | 1.12Å | |
C10 | H103 | sing | 1.09Å | 1.11Å | |
O3 | C11 | sing | 1.43Å | 1.34Å | |
C11 | C12 | sing | 1.53Å | 1.61Å | |
C11 | O4 | sing | 1.42Å | 1.42Å | |
C11 | H11 | sing | 1.09Å | 1.12Å | |
C12 | C13 | sing | 1.53Å | 1.61Å | |
C12 | N1 | sing | 1.47Å | 1.46Å | |
C12 | H12 | sing | 1.09Å | 1.11Å | |
C13 | C14 | sing | 1.53Å | 1.59Å | |
C13 | O8 | sing | 1.43Å | 1.43Å | |
C13 | H13 | sing | 1.09Å | 1.11Å | |
C14 | C15 | sing | 1.53Å | 1.55Å | |
C14 | O7 | sing | 1.43Å | 1.44Å | |
C14 | H14 | sing | 1.09Å | 1.11Å | |
C15 | O4 | sing | 1.43Å | 1.42Å | |
C15 | C16 | sing | 1.53Å | 1.53Å | |
C15 | H15 | sing | 1.09Å | 1.12Å | |
N1 | C17 | sing | 1.35Å | 1.33Å | |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C16 | O5 | sing | 1.43Å | 1.43Å | |
C16 | H161 | sing | 1.09Å | 1.11Å | |
C16 | H162 | sing | 1.09Å | 1.11Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
C17 | O6 | doub | 1.21Å | 1.17Å | |
C17 | C18 | sing | 1.51Å | 1.54Å | |
C18 | H181 | sing | 1.09Å | 1.12Å | |
C18 | H182 | sing | 1.09Å | 1.12Å | |
C18 | H183 | sing | 1.09Å | 1.12Å | |
O7 | C19 | sing | 1.43Å | 1.41Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
C19 | C20 | sing | 1.53Å | 1.52Å | |
C19 | O9 | sing | 1.43Å | 1.44Å | |
C19 | H19 | sing | 1.09Å | 1.11Å | |
C20 | C21 | sing | 1.53Å | 1.52Å | |
C20 | N2 | sing | 1.47Å | 1.48Å | |
C20 | H20 | sing | 1.09Å | 1.11Å | |
C21 | C22 | sing | 1.53Å | 1.52Å | |
C21 | O13 | sing | 1.43Å | 1.44Å | |
C21 | H21 | sing | 1.09Å | 1.11Å | |
C22 | C23 | sing | 1.53Å | 1.53Å | |
C22 | O10 | sing | 1.43Å | 1.45Å | |
C22 | H22 | sing | 1.09Å | 1.12Å | |
C23 | O9 | sing | 1.43Å | 1.48Å | |
C23 | C24 | sing | 1.53Å | 1.48Å | |
C23 | H23 | sing | 1.09Å | 1.11Å | |
N2 | C25 | sing | 1.35Å | 1.34Å | |
N2 | HN2 | sing | 0.97Å | 1.02Å | |
O10 | HOA | sing | 0.97Å | 0.95Å | |
C24 | O11 | sing | 1.43Å | 1.42Å | |
C24 | H241 | sing | 1.09Å | 1.12Å | |
C24 | H242 | sing | 1.09Å | 1.12Å | |
O11 | HOB | sing | 0.97Å | 0.95Å | |
C25 | O12 | doub | 1.21Å | 1.24Å | |
C25 | C26 | sing | 1.51Å | 1.53Å | |
C26 | H261 | sing | 1.09Å | 1.12Å | |
C26 | H262 | sing | 1.09Å | 1.11Å | |
C26 | H263 | sing | 1.09Å | 1.11Å | |
O13 | HOD | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | O1 | C9 | 132.3° | 121.5° |
O1 | C6 | C5 | 134.6° | 120.7° |
O1 | C6 | C1 | 104.9° | 119.8° |
O1 | C9 | O2 | 121.5° | 119.2° |
O1 | C9 | C7 | 110.0° | 121.6° |
C3 | C2 | C1 | 108.5° | 119.8° |
C3 | C2 | H2 | 124.0° | 120.1° |
C2 | C3 | C4 | 132.0° | 120.4° |
C2 | C3 | H3 | 114.9° | 119.8° |
C1 | C2 | H2 | 127.4° | 120.1° |
C2 | C1 | C6 | 121.3° | 120.0° |
C2 | C1 | C8 | 114.5° | 121.0° |
O2 | C9 | C7 | 128.5° | 119.2° |
C4 | C3 | H3 | 113.1° | 119.8° |
C3 | C4 | C5 | 126.0° | 120.5° |
C3 | C4 | O3 | 121.7° | 119.7° |
C5 | C4 | O3 | 112.3° | 119.7° |
C4 | C5 | C6 | 111.8° | 119.8° |
C4 | C5 | H5 | 123.0° | 120.1° |
C4 | O3 | C11 | 131.9° | 106.8° |
C6 | C5 | H5 | 125.2° | 120.2° |
C5 | C6 | C1 | 120.5° | 119.5° |
C6 | C1 | C8 | 124.1° | 119.0° |
C8 | C7 | C9 | 134.6° | 119.8° |
C8 | C7 | H7 | 112.1° | 120.1° |
C7 | C8 | C1 | 114.0° | 118.2° |
C7 | C8 | C10 | 126.2° | 120.9° |
C9 | C7 | H7 | 113.2° | 120.1° |
C1 | C8 | C10 | 119.7° | 120.9° |
C8 | C10 | H101 | 126.2° | 109.5° |
C8 | C10 | H102 | 106.3° | 109.5° |
C8 | C10 | H103 | 106.3° | 109.4° |
H101 | C10 | H102 | 106.3° | 109.5° |
H101 | C10 | H103 | 106.3° | 109.4° |
H102 | C10 | H103 | 103.2° | 109.5° |
O3 | C11 | C12 | 129.2° | 109.4° |
O3 | C11 | O4 | 114.3° | 109.4° |
O3 | C11 | H11 | 81.5° | 109.4° |
C12 | C11 | O4 | 114.4° | 109.8° |
C12 | C11 | H11 | 81.2° | 109.4° |
C11 | C12 | C13 | 115.7° | 109.0° |
C11 | C12 | N1 | 111.8° | 109.6° |
C11 | C12 | H12 | 103.4° | 109.6° |
O4 | C11 | H11 | 126.5° | 109.4° |
C11 | O4 | C15 | 118.1° | 107.7° |
C13 | C12 | N1 | 109.8° | 109.5° |
C13 | C12 | H12 | 105.7° | 109.6° |
C12 | C13 | C14 | 103.9° | 108.6° |
C12 | C13 | O8 | 101.4° | 109.8° |
C12 | C13 | H13 | 115.5° | 109.7° |
N1 | C12 | H12 | 110.0° | 109.5° |
C12 | N1 | C17 | 115.9° | 120.0° |
C12 | N1 | HN1 | 126.1° | 120.0° |
C14 | C13 | O8 | 102.0° | 109.6° |
C14 | C13 | H13 | 115.0° | 109.6° |
C13 | C14 | C15 | 108.2° | 109.1° |
C13 | C14 | O7 | 94.7° | 109.5° |
C13 | C14 | H14 | 119.3° | 109.5° |
O8 | C13 | H13 | 117.0° | 109.6° |
C13 | O8 | HO8 | 101.4° | 106.8° |
C15 | C14 | O7 | 110.1° | 109.5° |
C15 | C14 | H14 | 106.2° | 109.6° |
C14 | C15 | O4 | 110.9° | 109.8° |
C14 | C15 | C16 | 119.2° | 109.5° |
C14 | C15 | H15 | 100.2° | 109.4° |
O7 | C14 | H14 | 117.8° | 109.5° |
C14 | O7 | C19 | 112.0° | 106.8° |
O4 | C15 | C16 | 105.6° | 109.4° |
O4 | C15 | H15 | 115.2° | 109.4° |
C16 | C15 | H15 | 106.1° | 109.4° |
C15 | C16 | O5 | 121.7° | 109.5° |
C15 | C16 | H161 | 107.8° | 109.4° |
C15 | C16 | H162 | 107.8° | 109.5° |
C17 | N1 | HN1 | 118.0° | 120.0° |
N1 | C17 | O6 | 132.7° | 120.0° |
N1 | C17 | C18 | 94.5° | 120.0° |
O5 | C16 | H161 | 107.9° | 109.5° |
O5 | C16 | H162 | 107.9° | 109.5° |
C16 | O5 | HO5 | 121.7° | 106.8° |
H161 | C16 | H162 | 102.0° | 109.5° |
O6 | C17 | C18 | 132.8° | 120.0° |
C17 | C18 | H181 | 94.5° | 109.4° |
C17 | C18 | H182 | 118.1° | 109.5° |
C17 | C18 | H183 | 118.1° | 109.5° |
H181 | C18 | H182 | 118.1° | 109.4° |
H181 | C18 | H183 | 118.1° | 109.5° |
H182 | C18 | H183 | 92.1° | 109.5° |
O7 | C19 | C20 | 113.3° | 109.5° |
O7 | C19 | O9 | 106.9° | 109.4° |
O7 | C19 | H19 | 107.4° | 109.4° |
C20 | C19 | O9 | 105.5° | 109.8° |
C20 | C19 | H19 | 108.8° | 109.3° |
C19 | C20 | C21 | 114.9° | 109.1° |
C19 | C20 | N2 | 105.3° | 109.6° |
C19 | C20 | H20 | 108.2° | 109.6° |
O9 | C19 | H19 | 115.0° | 109.5° |
C19 | O9 | C23 | 135.6° | 107.7° |
C21 | C20 | N2 | 107.9° | 109.5° |
C21 | C20 | H20 | 105.6° | 109.5° |
C20 | C21 | C22 | 113.2° | 108.6° |
C20 | C21 | O13 | 110.8° | 109.6° |
C20 | C21 | H21 | 105.1° | 109.6° |
N2 | C20 | H20 | 115.2° | 109.5° |
C20 | N2 | C25 | 123.4° | 120.0° |
C20 | N2 | HN2 | 123.3° | 120.0° |
C22 | C21 | O13 | 106.9° | 109.7° |
C22 | C21 | H21 | 109.1° | 109.6° |
C21 | C22 | C23 | 116.7° | 109.0° |
C21 | C22 | O10 | 113.8° | 109.5° |
C21 | C22 | H22 | 100.4° | 109.6° |
O13 | C21 | H21 | 111.7° | 109.6° |
C21 | O13 | HOD | 110.8° | 106.8° |
C23 | C22 | O10 | 108.3° | 109.6° |
C23 | C22 | H22 | 106.9° | 109.6° |
C22 | C23 | O9 | 108.2° | 109.8° |
C22 | C23 | C24 | 113.6° | 109.4° |
C22 | C23 | H23 | 108.5° | 109.5° |
O10 | C22 | H22 | 110.2° | 109.5° |
C22 | O10 | HOA | 113.8° | 106.8° |
O9 | C23 | C24 | 112.0° | 109.3° |
O9 | C23 | H23 | 110.2° | 109.4° |
C24 | C23 | H23 | 104.4° | 109.4° |
C23 | C24 | O11 | 122.1° | 109.5° |
C23 | C24 | H241 | 107.7° | 109.4° |
C23 | C24 | H242 | 107.7° | 109.5° |
C25 | N2 | HN2 | 113.3° | 120.0° |
N2 | C25 | O12 | 121.7° | 120.0° |
N2 | C25 | C26 | 115.7° | 120.0° |
O11 | C24 | H241 | 107.7° | 109.5° |
O11 | C24 | H242 | 107.7° | 109.5° |
C24 | O11 | HOB | 122.1° | 106.9° |
H241 | C24 | H242 | 102.1° | 109.4° |
O12 | C25 | C26 | 122.6° | 120.0° |
C25 | C26 | H261 | 115.7° | 109.4° |
C25 | C26 | H262 | 109.9° | 109.4° |
C25 | C26 | H263 | 109.9° | 109.5° |
H261 | C26 | H262 | 110.0° | 109.5° |
H261 | C26 | H263 | 109.9° | 109.5° |
H262 | C26 | H263 | 100.3° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C6 | C1 | C2 | 179.5° | 180.0° |
C6 | O1 | C9 | O2 | 178.9° | 179.9° |
O1 | C6 | C5 | C4 | 179.6° | 179.7° |
O1 | C6 | C5 | C1 | 179.4° | 179.8° |
O1 | C6 | C5 | H5 | 0.3° | 0.1° |
C6 | O1 | C9 | C7 | 0.1° | 0.0° |
O1 | C6 | C1 | C8 | 0.5° | 0.1° |
O1 | C9 | O2 | C7 | 178.9° | 180.0° |
C9 | O1 | C6 | C5 | 179.9° | 179.8° |
C9 | O1 | C6 | C1 | 0.4° | 0.1° |
O1 | C9 | C7 | C8 | 0.1° | 0.0° |
O1 | C9 | C7 | H7 | 179.9° | 180.0° |
C3 | C2 | C1 | H2 | 179.9° | 179.9° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.0° | 0.3° |
C2 | C3 | C4 | O3 | 178.5° | 180.0° |
C3 | C2 | C1 | C6 | 0.3° | 0.0° |
C3 | C2 | C1 | C8 | 179.7° | 180.0° |
C1 | C2 | C3 | C4 | 0.3° | 0.0° |
C1 | C2 | C3 | H3 | 179.7° | 180.0° |
C2 | C1 | C6 | C5 | 0.1° | 0.2° |
C2 | C1 | C6 | C8 | 180.0° | 180.0° |
C2 | C1 | C8 | C7 | 179.6° | 180.0° |
C2 | C1 | C8 | C10 | 0.2° | 0.1° |
H2 | C2 | C3 | C4 | 179.7° | 179.9° |
H2 | C2 | C3 | H3 | 0.3° | 0.0° |
H2 | C2 | C1 | C6 | 179.6° | 180.0° |
H2 | C2 | C1 | C8 | 0.3° | 0.1° |
O2 | C9 | C7 | C8 | 179.1° | 180.0° |
O2 | C9 | C7 | H7 | 0.9° | 0.1° |
C3 | C4 | C5 | O3 | 178.5° | 179.7° |
C3 | C4 | C5 | C6 | 0.3° | 0.5° |
C3 | C4 | C5 | H5 | 179.7° | 179.7° |
C3 | C4 | O3 | C11 | 177.5° | 174.3° |
H3 | C3 | C4 | C5 | 179.9° | 179.8° |
H3 | C3 | C4 | O3 | 1.5° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 179.9° |
C4 | C5 | C6 | C1 | 0.2° | 0.4° |
C5 | C4 | O3 | C11 | 3.9° | 6.0° |
O3 | C4 | C5 | C6 | 178.8° | 179.8° |
O3 | C4 | C5 | H5 | 1.1° | 0.1° |
C4 | O3 | C11 | C12 | 154.5° | 172.5° |
C4 | O3 | C11 | O4 | 43.1° | 67.1° |
C4 | O3 | C11 | H11 | 83.2° | 52.7° |
C5 | C6 | C1 | C8 | 180.0° | 179.8° |
H5 | C5 | C6 | C1 | 179.8° | 179.7° |
C6 | C1 | C8 | C7 | 0.3° | 0.0° |
C6 | C1 | C8 | C10 | 179.7° | 180.0° |
C8 | C7 | C9 | H7 | 179.9° | 180.0° |
C7 | C8 | C1 | C10 | 179.4° | 179.9° |
C7 | C8 | C10 | H101 | 180.0° | 0.1° |
C7 | C8 | C10 | H102 | 54.7° | 120.0° |
C7 | C8 | C10 | H103 | 54.7° | 120.0° |
C9 | C7 | C8 | C1 | 0.0° | 0.0° |
C9 | C7 | C8 | C10 | 179.3° | 179.9° |
H7 | C7 | C8 | C1 | 180.0° | 180.0° |
H7 | C7 | C8 | C10 | 0.6° | 0.1° |
C1 | C8 | C10 | H101 | 0.7° | 180.0° |
C1 | C8 | C10 | H102 | 124.6° | 60.0° |
C1 | C8 | C10 | H103 | 126.0° | 60.0° |
C8 | C10 | H101 | H102 | 125.2° | 120.0° |
C8 | C10 | H101 | H103 | 125.3° | 119.9° |
C8 | C10 | H102 | H103 | 111.7° | 119.9° |
H101 | C10 | H102 | H103 | 111.7° | 120.0° |
O3 | C11 | C12 | O4 | 162.4° | 120.1° |
O3 | C11 | C12 | H11 | 71.3° | 119.8° |
O3 | C11 | O4 | H11 | 97.6° | 119.8° |
O3 | C11 | C12 | C13 | 162.9° | 178.6° |
O3 | C11 | C12 | N1 | 36.2° | 58.7° |
O3 | C11 | C12 | H12 | 82.1° | 61.4° |
O3 | C11 | O4 | C15 | 156.4° | 172.4° |
C12 | C11 | O4 | H11 | 97.3° | 120.1° |
C11 | C12 | C13 | N1 | 127.7° | 120.0° |
C11 | C12 | C13 | H12 | 113.7° | 119.9° |
C11 | C12 | N1 | H12 | 114.3° | 120.2° |
C11 | C12 | C13 | C14 | 46.0° | 53.7° |
C11 | C12 | C13 | O8 | 151.6° | 173.6° |
C11 | C12 | C13 | H13 | 80.9° | 66.0° |
C12 | C11 | O4 | C15 | 38.5° | 67.5° |
C11 | C12 | N1 | C17 | 99.6° | 90.4° |
C11 | C12 | N1 | HN1 | 80.5° | 89.6° |
O4 | C11 | C12 | C13 | 34.7° | 61.2° |
O4 | C11 | C12 | N1 | 161.4° | 178.9° |
O4 | C11 | C12 | H12 | 80.3° | 58.7° |
C11 | O4 | C15 | C14 | 56.4° | 67.4° |
C11 | O4 | C15 | C16 | 173.3° | 172.4° |
C11 | O4 | C15 | H15 | 56.5° | 52.6° |
H11 | C11 | C12 | C13 | 91.6° | 58.8° |
H11 | C11 | C12 | N1 | 35.1° | 61.1° |
H11 | C11 | C12 | H12 | 153.5° | 178.8° |
H11 | C11 | O4 | C15 | 58.8° | 52.6° |
C13 | C12 | N1 | H12 | 115.9° | 120.2° |
C12 | C13 | C14 | O8 | 105.1° | 119.9° |
C12 | C13 | C14 | H13 | 127.2° | 119.8° |
C12 | C13 | O8 | H13 | 126.6° | 120.5° |
C12 | C13 | C14 | C15 | 61.3° | 53.7° |
C12 | C13 | C14 | O7 | 174.2° | 173.6° |
C12 | C13 | C14 | H14 | 60.2° | 66.3° |
C13 | C12 | N1 | C17 | 130.7° | 150.1° |
C13 | C12 | N1 | HN1 | 49.3° | 30.0° |
C12 | C13 | O8 | HO8 | 179.9° | 60.7° |
N1 | C12 | C13 | C14 | 173.7° | 173.7° |
N1 | C12 | C13 | O8 | 80.8° | 66.5° |
N1 | C12 | C13 | H13 | 46.8° | 53.9° |
C12 | N1 | C17 | HN1 | 180.0° | 179.9° |
C12 | N1 | C17 | O6 | 4.2° | 0.1° |
C12 | N1 | C17 | C18 | 173.4° | 180.0° |
H12 | C12 | C13 | C14 | 67.7° | 66.2° |
H12 | C12 | C13 | O8 | 37.9° | 53.6° |
H12 | C12 | C13 | H13 | 165.4° | 174.1° |
H12 | C12 | N1 | C17 | 14.8° | 29.9° |
H12 | C12 | N1 | HN1 | 165.2° | 150.2° |
C14 | C13 | O8 | H13 | 126.4° | 120.3° |
C13 | C14 | C15 | O7 | 102.2° | 119.9° |
C13 | C14 | C15 | H14 | 129.2° | 120.0° |
C13 | C14 | O7 | H14 | 126.7° | 120.1° |
C13 | C14 | C15 | O4 | 69.0° | 61.1° |
C13 | C14 | C15 | C16 | 168.2° | 178.8° |
C13 | C14 | C15 | H15 | 53.1° | 58.9° |
C13 | C14 | O7 | C19 | 135.4° | 124.4° |
C14 | C13 | O8 | HO8 | 73.0° | 180.0° |
O8 | C13 | C14 | C15 | 166.4° | 173.7° |
O8 | C13 | C14 | O7 | 80.7° | 66.4° |
O8 | C13 | C14 | H14 | 44.9° | 53.7° |
H13 | C13 | C14 | C15 | 65.9° | 66.1° |
H13 | C13 | C14 | O7 | 47.0° | 53.8° |
H13 | C13 | C14 | H14 | 172.6° | 173.9° |
H13 | C13 | O8 | HO8 | 53.4° | 59.8° |
C15 | C14 | O7 | H14 | 121.9° | 120.3° |
C14 | C15 | O4 | C16 | 130.4° | 120.2° |
C14 | C15 | O4 | H15 | 112.9° | 120.0° |
C14 | C15 | C16 | H15 | 111.9° | 119.9° |
C14 | C15 | C16 | O5 | 6.4° | 174.6° |
C14 | C15 | C16 | H161 | 131.7° | 54.6° |
C14 | C15 | C16 | H162 | 118.9° | 65.4° |
C15 | C14 | O7 | C19 | 113.3° | 116.0° |
O7 | C14 | C15 | O4 | 171.2° | 179.0° |
O7 | C14 | C15 | C16 | 66.0° | 58.9° |
O7 | C14 | C15 | H15 | 49.1° | 61.0° |
C14 | O7 | C19 | C20 | 162.5° | 172.4° |
C14 | O7 | C19 | O9 | 81.7° | 67.2° |
C14 | O7 | C19 | H19 | 42.3° | 52.7° |
H14 | C14 | C15 | O4 | 60.3° | 58.8° |
H14 | C14 | C15 | C16 | 62.6° | 61.3° |
H14 | C14 | C15 | H15 | 177.6° | 178.8° |
H14 | C14 | O7 | C19 | 8.6° | 4.3° |
O4 | C15 | C16 | H15 | 122.7° | 119.7° |
O4 | C15 | C16 | O5 | 119.0° | 65.1° |
O4 | C15 | C16 | H161 | 6.3° | 174.9° |
O4 | C15 | C16 | H162 | 115.7° | 55.0° |
C15 | C16 | O5 | H161 | 125.3° | 120.0° |
C15 | C16 | O5 | H162 | 125.2° | 120.0° |
C15 | C16 | H161 | H162 | 113.4° | 119.9° |
C15 | C16 | O5 | HO5 | 180.0° | 180.0° |
H15 | C15 | C16 | O5 | 118.2° | 54.7° |
H15 | C15 | C16 | H161 | 116.5° | 65.3° |
H15 | C15 | C16 | H162 | 7.0° | 174.7° |
N1 | C17 | O6 | C18 | 176.7° | 180.0° |
N1 | C17 | C18 | H181 | 180.0° | 179.9° |
N1 | C17 | C18 | H182 | 54.8° | 60.0° |
N1 | C17 | C18 | H183 | 54.7° | 60.0° |
HN1 | N1 | C17 | O6 | 175.8° | 180.0° |
HN1 | N1 | C17 | C18 | 6.6° | 0.0° |
O5 | C16 | H161 | H162 | 113.5° | 120.0° |
H161 | C16 | O5 | HO5 | 54.7° | 60.0° |
H162 | C16 | O5 | HO5 | 54.8° | 60.0° |
O6 | C17 | C18 | H181 | 2.4° | 0.0° |
O6 | C17 | C18 | H182 | 122.8° | 119.9° |
O6 | C17 | C18 | H183 | 127.7° | 120.0° |
C17 | C18 | H181 | H182 | 125.3° | 119.9° |
C17 | C18 | H181 | H183 | 125.3° | 120.1° |
C17 | C18 | H182 | H183 | 123.7° | 120.1° |
H181 | C18 | H182 | H183 | 123.6° | 120.0° |
O7 | C19 | C20 | O9 | 116.6° | 120.2° |
O7 | C19 | C20 | H19 | 119.4° | 119.8° |
O7 | C19 | O9 | H19 | 119.2° | 119.8° |
O7 | C19 | C20 | C21 | 160.2° | 178.7° |
O7 | C19 | C20 | N2 | 81.2° | 58.8° |
O7 | C19 | C20 | H20 | 42.5° | 61.4° |
O7 | C19 | O9 | C23 | 150.8° | 172.4° |
C20 | C19 | O9 | H19 | 119.9° | 119.9° |
C19 | C20 | C21 | N2 | 117.1° | 120.0° |
C19 | C20 | C21 | H20 | 119.2° | 119.9° |
C19 | C20 | N2 | H20 | 119.1° | 120.2° |
C19 | C20 | C21 | C22 | 55.8° | 53.6° |
C19 | C20 | C21 | O13 | 175.9° | 173.6° |
C19 | C20 | C21 | H21 | 63.2° | 66.1° |
C20 | C19 | O9 | C23 | 29.9° | 67.4° |
C19 | C20 | N2 | C25 | 119.0° | 90.2° |
C19 | C20 | N2 | HN2 | 61.0° | 89.8° |
O9 | C19 | C20 | C21 | 43.6° | 61.1° |
O9 | C19 | C20 | N2 | 162.2° | 179.0° |
O9 | C19 | C20 | H20 | 74.1° | 58.8° |
C19 | O9 | C23 | C22 | 20.8° | 67.6° |
C19 | O9 | C23 | C24 | 146.8° | 172.3° |
C19 | O9 | C23 | H23 | 97.6° | 52.6° |
H19 | C19 | C20 | C21 | 80.3° | 59.0° |
H19 | C19 | C20 | N2 | 38.3° | 60.9° |
H19 | C19 | C20 | H20 | 161.9° | 178.8° |
H19 | C19 | O9 | C23 | 90.0° | 52.5° |
C21 | C20 | N2 | H20 | 117.7° | 120.1° |
C20 | C21 | C22 | O13 | 122.3° | 119.9° |
C20 | C21 | C22 | H21 | 116.7° | 119.7° |
C20 | C21 | O13 | H21 | 116.9° | 120.3° |
C20 | C21 | C22 | C23 | 45.0° | 53.7° |
C20 | C21 | C22 | O10 | 172.3° | 173.6° |
C20 | C21 | C22 | H22 | 70.0° | 66.2° |
C21 | C20 | N2 | C25 | 117.8° | 150.1° |
C21 | C20 | N2 | HN2 | 62.2° | 29.9° |
C20 | C21 | O13 | HOD | 179.9° | 180.0° |
N2 | C20 | C21 | C22 | 173.0° | 173.6° |
N2 | C20 | C21 | O13 | 66.9° | 66.4° |
N2 | C20 | C21 | H21 | 53.9° | 53.8° |
C20 | N2 | C25 | HN2 | 180.0° | 180.0° |
C20 | N2 | C25 | O12 | 25.1° | 0.0° |
C20 | N2 | C25 | C26 | 156.3° | 180.0° |
H20 | C20 | C21 | C22 | 63.3° | 66.3° |
H20 | C20 | C21 | O13 | 56.8° | 53.7° |
H20 | C20 | C21 | H21 | 177.6° | 174.0° |
H20 | C20 | N2 | C25 | 0.1° | 30.1° |
H20 | C20 | N2 | HN2 | 179.9° | 150.0° |
C22 | C21 | O13 | H21 | 119.3° | 120.4° |
C21 | C22 | C23 | O10 | 129.9° | 119.9° |
C21 | C22 | C23 | H22 | 111.3° | 119.9° |
C21 | C22 | O10 | H22 | 111.9° | 120.2° |
C21 | C22 | C23 | O9 | 25.2° | 61.3° |
C21 | C22 | C23 | C24 | 150.2° | 178.7° |
C21 | C22 | C23 | H23 | 94.3° | 58.8° |
C21 | C22 | O10 | HOA | 180.0° | 180.0° |
C22 | C21 | O13 | HOD | 56.1° | 60.7° |
O13 | C21 | C22 | C23 | 167.3° | 173.6° |
O13 | C21 | C22 | O10 | 65.4° | 66.5° |
O13 | C21 | C22 | H22 | 52.3° | 53.6° |
H21 | C21 | C22 | C23 | 71.7° | 66.0° |
H21 | C21 | C22 | O10 | 55.6° | 53.9° |
H21 | C21 | C22 | H22 | 173.3° | 174.0° |
H21 | C21 | O13 | HOD | 63.2° | 59.7° |
C23 | C22 | O10 | H22 | 116.6° | 120.3° |
C22 | C23 | O9 | C24 | 125.9° | 120.1° |
C22 | C23 | O9 | H23 | 118.4° | 120.2° |
C22 | C23 | C24 | H23 | 117.9° | 119.9° |
C23 | C22 | O10 | HOA | 48.5° | 60.4° |
C22 | C23 | C24 | O11 | 24.7° | 180.0° |
C22 | C23 | C24 | H241 | 150.0° | 60.0° |
C22 | C23 | C24 | H242 | 100.6° | 60.0° |
O10 | C22 | C23 | O9 | 155.1° | 178.8° |
O10 | C22 | C23 | C24 | 79.9° | 58.8° |
O10 | C22 | C23 | H23 | 35.7° | 61.0° |
H22 | C22 | C23 | O9 | 86.1° | 58.6° |
H22 | C22 | C23 | C24 | 38.9° | 61.4° |
H22 | C22 | C23 | H23 | 154.4° | 178.7° |
H22 | C22 | O10 | HOA | 68.1° | 59.9° |
O9 | C23 | C24 | H23 | 119.1° | 119.8° |
O9 | C23 | C24 | O11 | 98.2° | 59.7° |
O9 | C23 | C24 | H241 | 27.0° | 179.7° |
O9 | C23 | C24 | H242 | 136.5° | 60.3° |
C23 | C24 | O11 | H241 | 125.3° | 120.0° |
C23 | C24 | O11 | H242 | 125.3° | 120.1° |
C23 | C24 | H241 | H242 | 113.3° | 120.0° |
C23 | C24 | O11 | HOB | 180.0° | 180.0° |
H23 | C23 | C24 | O11 | 142.6° | 60.1° |
H23 | C23 | C24 | H241 | 92.1° | 59.9° |
H23 | C23 | C24 | H242 | 17.4° | 179.9° |
N2 | C25 | O12 | C26 | 178.5° | 179.9° |
N2 | C25 | C26 | H261 | 180.0° | 180.0° |
N2 | C25 | C26 | H262 | 54.8° | 60.0° |
N2 | C25 | C26 | H263 | 54.8° | 60.0° |
HN2 | N2 | C25 | O12 | 154.8° | 180.0° |
HN2 | N2 | C25 | C26 | 23.7° | 0.0° |
O11 | C24 | H241 | H242 | 113.3° | 120.0° |
H241 | C24 | O11 | HOB | 54.7° | 60.0° |
H242 | C24 | O11 | HOB | 54.7° | 59.9° |
O12 | C25 | C26 | H261 | 1.4° | 0.1° |
O12 | C25 | C26 | H262 | 126.7° | 120.0° |
O12 | C25 | C26 | H263 | 123.8° | 120.0° |
C25 | C26 | H261 | H262 | 125.2° | 119.9° |
C25 | C26 | H261 | H263 | 125.2° | 120.0° |
C25 | C26 | H262 | H263 | 115.8° | 120.0° |
H261 | C26 | H262 | H263 | 115.8° | 120.1° |