PRD_000782
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O2 | sing | 1.35Å | 1.27Å | |
C1 | O1 | doub | 1.22Å | 1.26Å | |
N1 | C1 | sing | 1.35Å | 1.43Å | |
N1 | C9 | sing | 1.46Å | 1.53Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
O2 | C2 | sing | 1.45Å | 1.39Å | |
C3 | C2 | sing | 1.51Å | 1.51Å | |
C3 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
O3 | C10 | doub | 1.21Å | 1.22Å | |
C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
O5 | C24 | sing | 1.36Å | 1.43Å | |
C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
O6 | C21 | sing | 1.43Å | 1.38Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | C11 | sing | 1.53Å | 1.61Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C10 | N2 | sing | 1.35Å | 1.44Å | |
C10 | C9 | sing | 1.51Å | 1.60Å | |
C11 | C12 | sing | 1.51Å | 1.51Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H11A | sing | 1.09Å | 1.10Å | |
C12 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C15 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | C23 | sing | 1.51Å | 1.48Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H18A | sing | 1.09Å | 1.10Å | |
C19 | N2 | sing | 1.46Å | 1.44Å | |
C19 | C18 | sing | 1.53Å | 1.54Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C20 | O4 | doub | 1.21Å | 1.23Å | |
C20 | C19 | sing | 1.51Å | 1.51Å | |
C21 | C20 | sing | 1.51Å | 1.36Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H21A | sing | 1.09Å | 1.10Å | |
C23 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
C24 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H25A | sing | 1.09Å | 1.10Å | |
C25 | H25B | sing | 1.09Å | 1.10Å | |
C26 | O5 | sing | 1.43Å | 1.44Å | |
C26 | C25 | sing | 1.53Å | 1.51Å | |
C27 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
C27 | H27 | sing | 1.08Å | 1.08Å | |
C28 | H28 | sing | 1.08Å | 1.08Å | |
C29 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
C29 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
C29 | H29 | sing | 1.08Å | 1.08Å | |
C30 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
C30 | H30 | sing | 1.08Å | 1.08Å | |
C32 | C26 | sing | 1.53Å | 1.51Å | |
C32 | H32 | sing | 1.09Å | 1.10Å | |
C32 | H32A | sing | 1.09Å | 1.10Å | |
C32 | H32B | sing | 1.09Å | 1.10Å | |
C33 | C26 | sing | 1.53Å | 1.52Å | |
C33 | H33 | sing | 1.09Å | 1.10Å | |
C33 | H33A | sing | 1.09Å | 1.10Å | |
C33 | H33B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C1 | O1 | 121.9° | 120.0° |
O2 | C1 | N1 | 117.9° | 120.0° |
C1 | O2 | C2 | 123.5° | 117.0° |
O1 | C1 | N1 | 118.2° | 119.9° |
C1 | N1 | C9 | 104.9° | 120.1° |
C1 | N1 | HN1 | 127.6° | 119.9° |
C9 | N1 | HN1 | 127.6° | 120.0° |
N1 | C9 | C11 | 120.1° | 109.5° |
N1 | C9 | H9 | 101.2° | 109.4° |
N1 | C9 | C10 | 111.5° | 109.5° |
H2 | C2 | H2A | 110.4° | 109.5° |
H2 | C2 | O2 | 108.5° | 109.5° |
H2 | C2 | C3 | 108.5° | 109.5° |
H2A | C2 | O2 | 108.5° | 109.5° |
H2A | C2 | C3 | 108.5° | 109.5° |
HN2 | N2 | C10 | 118.5° | 120.0° |
HN2 | N2 | C19 | 118.5° | 120.0° |
O2 | C2 | C3 | 112.5° | 109.5° |
C2 | C3 | C8 | 120.3° | 120.0° |
C2 | C3 | C4 | 118.5° | 120.0° |
C8 | C3 | C4 | 121.1° | 120.0° |
C3 | C8 | C7 | 119.0° | 120.0° |
C3 | C8 | H8 | 120.4° | 120.0° |
O3 | C10 | N2 | 123.8° | 120.0° |
O3 | C10 | C9 | 126.4° | 120.0° |
C3 | C4 | H4 | 120.1° | 120.0° |
C3 | C4 | C5 | 119.8° | 120.0° |
H4 | C4 | C5 | 120.1° | 120.0° |
C4 | C5 | C6 | 119.5° | 120.0° |
C4 | C5 | H5 | 120.3° | 120.0° |
C6 | C5 | H5 | 120.3° | 120.0° |
C5 | C6 | C7 | 120.4° | 120.0° |
C5 | C6 | H6 | 119.8° | 120.0° |
O5 | C24 | C30 | 124.7° | 120.0° |
C24 | O5 | C26 | 120.7° | 116.9° |
O5 | C24 | C29 | 114.9° | 120.1° |
C7 | C6 | H6 | 119.8° | 120.0° |
C6 | C7 | C8 | 120.1° | 120.0° |
C6 | C7 | H7 | 119.9° | 120.1° |
C21 | O6 | HO6 | 109.5° | 114.0° |
O6 | C21 | C20 | 110.9° | 109.5° |
O6 | C21 | H21 | 109.0° | 109.4° |
O6 | C21 | H21A | 109.0° | 109.5° |
C8 | C7 | H7 | 120.0° | 120.0° |
C7 | C8 | H8 | 120.5° | 120.0° |
C11 | C9 | H9 | 98.4° | 109.4° |
C11 | C9 | C10 | 113.5° | 109.5° |
C9 | C11 | C12 | 117.1° | 109.5° |
C9 | C11 | H11 | 107.0° | 109.5° |
C9 | C11 | H11A | 107.0° | 109.5° |
H9 | C9 | C10 | 110.1° | 109.5° |
N2 | C10 | C9 | 109.6° | 120.0° |
C10 | N2 | C19 | 123.0° | 120.0° |
C12 | C11 | H11 | 107.0° | 109.4° |
C12 | C11 | H11A | 107.0° | 109.5° |
C11 | C12 | C14 | 122.9° | 120.0° |
C11 | C12 | C13 | 116.1° | 120.0° |
H11 | C11 | H11A | 111.8° | 109.5° |
C14 | C12 | C13 | 121.0° | 120.0° |
C12 | C14 | H14 | 120.4° | 120.0° |
C12 | C14 | C16 | 119.2° | 120.0° |
C12 | C13 | H13 | 120.1° | 120.0° |
C12 | C13 | C15 | 119.7° | 120.0° |
H13 | C13 | C15 | 120.2° | 120.0° |
H14 | C14 | C16 | 120.4° | 120.0° |
C13 | C15 | C17 | 120.0° | 120.0° |
C13 | C15 | H15 | 120.0° | 120.0° |
C17 | C15 | H15 | 120.0° | 120.0° |
C15 | C17 | C16 | 120.1° | 120.0° |
C15 | C17 | H17 | 119.9° | 120.1° |
C14 | C16 | H16 | 120.1° | 120.0° |
C14 | C16 | C17 | 119.9° | 120.0° |
H16 | C16 | C17 | 120.0° | 120.0° |
C16 | C17 | H17 | 119.9° | 119.9° |
C23 | C18 | H18 | 108.8° | 109.5° |
C23 | C18 | H18A | 108.8° | 109.5° |
C23 | C18 | C19 | 111.6° | 109.5° |
C18 | C23 | C28 | 125.9° | 120.0° |
C18 | C23 | C27 | 110.9° | 119.9° |
H18 | C18 | H18A | 110.2° | 109.5° |
H18 | C18 | C19 | 108.8° | 109.4° |
H18A | C18 | C19 | 108.8° | 109.5° |
N2 | C19 | C18 | 107.8° | 109.5° |
N2 | C19 | H19 | 115.3° | 109.5° |
N2 | C19 | C20 | 105.3° | 109.5° |
C18 | C19 | H19 | 105.5° | 109.4° |
C18 | C19 | C20 | 115.1° | 109.5° |
H19 | C19 | C20 | 108.1° | 109.5° |
O4 | C20 | C19 | 123.5° | 120.0° |
O4 | C20 | C21 | 114.0° | 120.0° |
C19 | C20 | C21 | 122.3° | 120.0° |
C20 | C21 | H21 | 109.0° | 109.4° |
C20 | C21 | H21A | 109.0° | 109.5° |
H21 | C21 | H21A | 109.9° | 109.6° |
C28 | C23 | C27 | 122.7° | 120.1° |
C23 | C28 | H28 | 120.9° | 119.9° |
C23 | C28 | C30 | 118.1° | 120.0° |
C30 | C24 | C29 | 120.4° | 119.8° |
C24 | C30 | C28 | 119.0° | 120.0° |
C24 | C30 | H30 | 120.5° | 120.0° |
H25 | C25 | H25A | 109.5° | 109.5° |
H25 | C25 | H25B | 109.5° | 109.5° |
H25 | C25 | C26 | 109.5° | 109.5° |
H25A | C25 | H25B | 109.5° | 109.5° |
H25A | C25 | C26 | 109.5° | 109.4° |
H25B | C25 | C26 | 109.5° | 109.5° |
O5 | C26 | C25 | 108.6° | 109.5° |
O5 | C26 | C32 | 113.3° | 109.4° |
O5 | C26 | C33 | 111.2° | 109.5° |
C25 | C26 | C32 | 108.3° | 109.5° |
C25 | C26 | C33 | 109.9° | 109.5° |
C23 | C27 | H27 | 120.5° | 120.0° |
C23 | C27 | C29 | 118.9° | 120.1° |
H27 | C27 | C29 | 120.5° | 119.9° |
H28 | C28 | C30 | 120.9° | 120.0° |
C24 | C29 | C27 | 120.8° | 120.0° |
C24 | C29 | H29 | 119.6° | 120.0° |
C27 | C29 | H29 | 119.6° | 120.0° |
C28 | C30 | H30 | 120.5° | 120.0° |
C26 | C32 | H32 | 109.5° | 109.5° |
C26 | C32 | H32A | 109.4° | 109.4° |
C26 | C32 | H32B | 109.5° | 109.4° |
C32 | C26 | C33 | 105.4° | 109.5° |
H32 | C32 | H32A | 109.5° | 109.5° |
H32 | C32 | H32B | 109.5° | 109.5° |
H32A | C32 | H32B | 109.5° | 109.4° |
C26 | C33 | H33 | 109.5° | 109.5° |
C26 | C33 | H33A | 109.4° | 109.5° |
C26 | C33 | H33B | 109.5° | 109.5° |
H33 | C33 | H33A | 109.5° | 109.5° |
H33 | C33 | H33B | 109.4° | 109.5° |
H33A | C33 | H33B | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C1 | O1 | N1 | 163.4° | 179.7° |
O2 | C1 | N1 | C9 | 142.4° | 180.0° |
O2 | C1 | N1 | HN1 | 37.6° | 0.0° |
C1 | O2 | C2 | H2 | 122.1° | 60.0° |
C1 | O2 | C2 | H2A | 2.2° | 60.0° |
C1 | O2 | C2 | C3 | 117.9° | 180.0° |
O1 | C1 | N1 | C9 | 21.7° | 0.3° |
O1 | C1 | N1 | HN1 | 158.3° | 179.7° |
O1 | C1 | O2 | C2 | 28.0° | 0.0° |
C1 | N1 | C9 | HN1 | 180.0° | 179.9° |
N1 | C1 | O2 | C2 | 168.5° | 179.7° |
C1 | N1 | C9 | C11 | 134.4° | 85.0° |
C1 | N1 | C9 | H9 | 27.7° | 35.0° |
C1 | N1 | C9 | C10 | 89.3° | 155.0° |
N1 | C9 | C10 | O3 | 19.4° | 0.0° |
N1 | C9 | C11 | H9 | 108.2° | 120.0° |
N1 | C9 | C11 | C10 | 135.5° | 120.0° |
N1 | C9 | H9 | C10 | 118.0° | 120.0° |
N1 | C9 | C10 | N2 | 166.6° | 180.0° |
N1 | C9 | C11 | C12 | 3.9° | 65.0° |
N1 | C9 | C11 | H11 | 116.1° | 55.0° |
N1 | C9 | C11 | H11A | 123.9° | 175.0° |
HN1 | N1 | C9 | C11 | 45.6° | 95.0° |
HN1 | N1 | C9 | H9 | 152.3° | 145.1° |
HN1 | N1 | C9 | C10 | 90.7° | 25.1° |
H2 | C2 | H2A | O2 | 118.7° | 120.0° |
H2 | C2 | H2A | C3 | 118.8° | 120.0° |
H2 | C2 | O2 | C3 | 120.0° | 120.0° |
H2 | C2 | C3 | C8 | 18.1° | 30.0° |
H2 | C2 | C3 | C4 | 164.8° | 150.3° |
H2A | C2 | O2 | C3 | 120.0° | 120.0° |
H2A | C2 | C3 | C8 | 138.1° | 150.0° |
H2A | C2 | C3 | C4 | 44.8° | 30.3° |
HN2 | N2 | C10 | O3 | 155.1° | 180.0° |
HN2 | N2 | C10 | C19 | 180.0° | 179.9° |
HN2 | N2 | C10 | C9 | 19.1° | 0.1° |
HN2 | N2 | C19 | C18 | 56.9° | 25.1° |
HN2 | N2 | C19 | H19 | 174.5° | 145.0° |
HN2 | N2 | C19 | C20 | 66.4° | 94.9° |
O2 | C2 | C3 | C8 | 101.9° | 90.0° |
O2 | C2 | C3 | C4 | 75.3° | 89.7° |
C2 | C3 | C8 | C4 | 177.1° | 179.7° |
C2 | C3 | C4 | H4 | 1.7° | 0.0° |
C2 | C3 | C4 | C5 | 178.3° | 180.0° |
C2 | C3 | C8 | C7 | 178.7° | 179.8° |
C2 | C3 | C8 | H8 | 1.3° | 0.0° |
C8 | C3 | C4 | H4 | 178.9° | 179.7° |
C8 | C3 | C4 | C5 | 1.1° | 0.3° |
C3 | C8 | C7 | C6 | 1.1° | 0.5° |
C3 | C8 | C7 | H8 | 180.0° | 179.7° |
C3 | C8 | C7 | H7 | 178.9° | 179.7° |
O3 | C10 | C9 | C11 | 120.0° | 120.0° |
O3 | C10 | C9 | H9 | 130.8° | 120.0° |
O3 | C10 | N2 | C9 | 174.3° | 180.0° |
O3 | C10 | N2 | C19 | 24.9° | 0.0° |
C3 | C4 | H4 | C5 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.1° | 0.0° |
C3 | C4 | C5 | H5 | 179.9° | 179.9° |
C4 | C3 | C8 | C7 | 1.6° | 0.6° |
C4 | C3 | C8 | H8 | 178.4° | 179.7° |
H4 | C4 | C5 | C6 | 179.9° | 180.0° |
H4 | C4 | C5 | H5 | 0.1° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | C7 | 0.4° | 0.0° |
C4 | C5 | C6 | H6 | 179.6° | 179.9° |
C5 | C6 | C7 | H6 | 180.0° | 179.9° |
C5 | C6 | C7 | C8 | 0.1° | 0.2° |
C5 | C6 | C7 | H7 | 179.9° | 179.9° |
H5 | C5 | C6 | C7 | 179.6° | 180.0° |
H5 | C5 | C6 | H6 | 0.4° | 0.0° |
O5 | C24 | C30 | C29 | 178.6° | 179.7° |
C24 | O5 | C26 | C25 | 64.6° | 63.8° |
O5 | C24 | C29 | C27 | 178.8° | 180.0° |
O5 | C24 | C29 | H29 | 1.3° | 0.2° |
O5 | C24 | C30 | C28 | 178.6° | 180.0° |
O5 | C24 | C30 | H30 | 1.3° | 0.2° |
C24 | O5 | C26 | C32 | 55.8° | 176.2° |
C24 | O5 | C26 | C33 | 174.4° | 56.2° |
C6 | C7 | C8 | H7 | 180.0° | 179.8° |
C6 | C7 | C8 | H8 | 178.9° | 179.8° |
H6 | C6 | C7 | C8 | 179.9° | 179.8° |
H6 | C6 | C7 | H7 | 0.1° | 0.0° |
O6 | C21 | C20 | O4 | 28.5° | 0.1° |
O6 | C21 | C20 | C19 | 146.6° | 180.0° |
O6 | C21 | C20 | H21 | 120.0° | 119.9° |
O6 | C21 | C20 | H21A | 120.0° | 120.0° |
O6 | C21 | H21 | H21A | 119.4° | 120.1° |
HO6 | O6 | C21 | C20 | 14.3° | 180.0° |
HO6 | O6 | C21 | H21 | 134.3° | 60.0° |
HO6 | O6 | C21 | H21A | 105.7° | 60.0° |
H7 | C7 | C8 | H8 | 1.1° | 0.0° |
C11 | C9 | H9 | C10 | 118.9° | 120.0° |
C11 | C9 | C10 | N2 | 54.1° | 60.0° |
C9 | C11 | C12 | H11 | 120.0° | 119.9° |
C9 | C11 | C12 | H11A | 120.0° | 120.0° |
C9 | C11 | H11 | H11A | 116.9° | 120.0° |
C9 | C11 | C12 | C14 | 110.0° | 90.0° |
C9 | C11 | C12 | C13 | 68.9° | 89.8° |
H9 | C9 | C10 | N2 | 55.1° | 60.0° |
H9 | C9 | C11 | C12 | 104.3° | 55.0° |
H9 | C9 | C11 | H11 | 135.7° | 174.9° |
H9 | C9 | C11 | H11A | 15.7° | 65.0° |
C10 | N2 | C19 | C18 | 123.1° | 155.0° |
C10 | N2 | C19 | H19 | 5.5° | 35.1° |
C10 | N2 | C19 | C20 | 113.5° | 85.0° |
C10 | C9 | C11 | C12 | 139.4° | 175.0° |
C10 | C9 | C11 | H11 | 19.4° | 65.1° |
C10 | C9 | C11 | H11A | 100.6° | 55.0° |
C9 | C10 | N2 | C19 | 160.9° | 180.0° |
C12 | C11 | H11 | H11A | 116.9° | 120.0° |
C11 | C12 | C14 | C13 | 178.9° | 179.7° |
C11 | C12 | C13 | H13 | 1.2° | 0.0° |
C11 | C12 | C14 | H14 | 0.8° | 0.0° |
C11 | C12 | C13 | C15 | 178.8° | 180.0° |
C11 | C12 | C14 | C16 | 179.2° | 180.0° |
H11 | C11 | C12 | C14 | 130.0° | 30.0° |
H11 | C11 | C12 | C13 | 51.1° | 150.3° |
H11A | C11 | C12 | C14 | 10.1° | 150.0° |
H11A | C11 | C12 | C13 | 171.0° | 30.3° |
C14 | C12 | C13 | H13 | 179.9° | 179.7° |
C12 | C14 | H14 | C16 | 180.0° | 180.0° |
C14 | C12 | C13 | C15 | 0.1° | 0.3° |
C12 | C14 | C16 | H16 | 179.4° | 180.0° |
C12 | C14 | C16 | C17 | 0.6° | 0.0° |
C12 | C13 | H13 | C15 | 180.0° | 180.0° |
C13 | C12 | C14 | H14 | 179.7° | 179.7° |
C12 | C13 | C15 | C17 | 0.3° | 0.0° |
C12 | C13 | C15 | H15 | 179.7° | 179.9° |
C13 | C12 | C14 | C16 | 0.3° | 0.3° |
H13 | C13 | C15 | C17 | 179.7° | 180.0° |
H13 | C13 | C15 | H15 | 0.3° | 0.1° |
H14 | C14 | C16 | H16 | 0.6° | 0.0° |
H14 | C14 | C16 | C17 | 179.5° | 180.0° |
C13 | C15 | C17 | H15 | 180.0° | 179.9° |
C13 | C15 | C17 | C16 | 0.0° | 0.4° |
C13 | C15 | C17 | H17 | 179.9° | 180.0° |
C15 | C17 | C16 | C14 | 0.4° | 0.4° |
C15 | C17 | C16 | H16 | 179.6° | 179.7° |
C15 | C17 | C16 | H17 | 180.0° | 179.7° |
H15 | C15 | C17 | C16 | 180.0° | 179.7° |
H15 | C15 | C17 | H17 | 0.1° | 0.1° |
C14 | C16 | H16 | C17 | 180.0° | 180.0° |
C14 | C16 | C17 | H17 | 179.6° | 180.0° |
H16 | C16 | C17 | H17 | 0.4° | 0.0° |
C23 | C18 | H18 | H18A | 119.2° | 120.1° |
C23 | C18 | H18 | C19 | 121.7° | 120.0° |
C23 | C18 | H18A | C19 | 121.7° | 120.0° |
C23 | C18 | C19 | N2 | 150.4° | 64.9° |
C23 | C18 | C19 | H19 | 85.9° | 55.0° |
C23 | C18 | C19 | C20 | 33.3° | 175.0° |
C18 | C23 | C28 | C27 | 171.1° | 179.7° |
C18 | C23 | C27 | H27 | 6.3° | 0.0° |
C18 | C23 | C28 | H28 | 7.6° | 0.0° |
C18 | C23 | C27 | C29 | 173.6° | 180.0° |
C18 | C23 | C28 | C30 | 172.4° | 180.0° |
H18 | C18 | H18A | C19 | 119.1° | 119.9° |
H18 | C18 | C19 | N2 | 30.4° | 55.0° |
H18 | C18 | C19 | H19 | 154.1° | 175.0° |
H18 | C18 | C19 | C20 | 86.8° | 65.0° |
H18 | C18 | C23 | C28 | 8.9° | 30.0° |
H18 | C18 | C23 | C27 | 163.1° | 150.3° |
H18A | C18 | C19 | N2 | 89.6° | 175.0° |
H18A | C18 | C19 | H19 | 34.1° | 65.0° |
H18A | C18 | C19 | C20 | 153.2° | 54.9° |
H18A | C18 | C23 | C28 | 111.2° | 150.0° |
H18A | C18 | C23 | C27 | 76.8° | 30.3° |
N2 | C19 | C18 | H19 | 123.7° | 120.0° |
N2 | C19 | C18 | C20 | 117.1° | 120.1° |
N2 | C19 | H19 | C20 | 117.5° | 120.1° |
N2 | C19 | C20 | O4 | 95.2° | 14.9° |
N2 | C19 | C20 | C21 | 90.2° | 165.0° |
C18 | C19 | H19 | C20 | 123.6° | 120.0° |
C18 | C19 | C20 | O4 | 23.4° | 105.1° |
C18 | C19 | C20 | C21 | 151.2° | 75.0° |
C19 | C18 | C23 | C28 | 128.9° | 90.0° |
C19 | C18 | C23 | C27 | 43.1° | 89.8° |
H19 | C19 | C20 | O4 | 141.0° | 134.9° |
H19 | C19 | C20 | C21 | 33.5° | 44.9° |
O4 | C20 | C19 | C21 | 174.6° | 179.9° |
O4 | C20 | C21 | H21 | 148.5° | 120.0° |
O4 | C20 | C21 | H21A | 91.5° | 119.9° |
C19 | C20 | C21 | H21 | 26.5° | 60.1° |
C19 | C20 | C21 | H21A | 93.4° | 60.0° |
C20 | C21 | H21 | H21A | 119.4° | 120.0° |
C23 | C28 | C30 | C24 | 0.6° | 0.0° |
C28 | C23 | C27 | H27 | 178.7° | 179.7° |
C23 | C28 | H28 | C30 | 180.0° | 180.0° |
C28 | C23 | C27 | C29 | 1.3° | 0.2° |
C23 | C28 | C30 | H30 | 179.4° | 179.8° |
C30 | C24 | O5 | C26 | 114.6° | 174.9° |
C24 | C30 | C28 | H28 | 179.4° | 180.0° |
C30 | C24 | C29 | C27 | 0.0° | 0.3° |
C30 | C24 | C29 | H29 | 180.0° | 180.0° |
C24 | C30 | C28 | H30 | 180.0° | 179.8° |
H25 | C25 | H25A | H25B | 120.0° | 120.0° |
H25 | C25 | H25A | C26 | 120.0° | 120.0° |
H25 | C25 | H25B | C26 | 120.0° | 120.0° |
H25 | C25 | C26 | O5 | 180.0° | 77.1° |
H25 | C25 | C26 | C32 | 56.6° | 42.8° |
H25 | C25 | C26 | C33 | 58.2° | 162.8° |
H25A | C25 | H25B | C26 | 120.0° | 120.0° |
H25A | C25 | C26 | O5 | 60.0° | 162.9° |
H25A | C25 | C26 | C32 | 176.6° | 77.1° |
H25A | C25 | C26 | C33 | 61.8° | 42.9° |
H25B | C25 | C26 | O5 | 60.0° | 42.9° |
H25B | C25 | C26 | C32 | 63.4° | 162.9° |
H25B | C25 | C26 | C33 | 178.1° | 77.1° |
O5 | C26 | C25 | C32 | 123.4° | 120.0° |
O5 | C26 | C25 | C33 | 121.8° | 120.0° |
C26 | O5 | C24 | C29 | 64.0° | 5.4° |
O5 | C26 | C32 | C33 | 121.8° | 119.9° |
O5 | C26 | C32 | H32 | 180.0° | 60.0° |
O5 | C26 | C32 | H32A | 60.0° | 180.0° |
O5 | C26 | C32 | H32B | 60.0° | 60.1° |
O5 | C26 | C33 | H33 | 180.0° | 47.7° |
O5 | C26 | C33 | H33A | 60.0° | 167.8° |
O5 | C26 | C33 | H33B | 60.0° | 72.3° |
C25 | C26 | C32 | C33 | 117.6° | 120.0° |
C25 | C26 | C32 | H32 | 59.5° | 180.0° |
C25 | C26 | C32 | H32A | 60.5° | 60.0° |
C25 | C26 | C32 | H32B | 179.5° | 60.0° |
C25 | C26 | C33 | H33 | 59.7° | 72.3° |
C25 | C26 | C33 | H33A | 179.8° | 47.7° |
C25 | C26 | C33 | H33B | 60.3° | 167.7° |
C23 | C27 | H27 | C29 | 180.0° | 180.0° |
C27 | C23 | C28 | H28 | 178.7° | 179.7° |
C23 | C27 | C29 | C24 | 0.6° | 0.0° |
C23 | C27 | C29 | H29 | 179.3° | 179.8° |
C27 | C23 | C28 | C30 | 1.3° | 0.3° |
H27 | C27 | C29 | C24 | 179.3° | 180.0° |
H27 | C27 | C29 | H29 | 0.7° | 0.2° |
H28 | C28 | C30 | H30 | 0.6° | 0.2° |
C24 | C29 | C27 | H29 | 180.0° | 179.8° |
C29 | C24 | C30 | C28 | 0.1° | 0.3° |
C29 | C24 | C30 | H30 | 179.9° | 180.0° |
C26 | C32 | H32 | H32A | 120.0° | 120.0° |
C26 | C32 | H32 | H32B | 120.0° | 120.0° |
C26 | C32 | H32A | H32B | 120.0° | 119.9° |
C32 | C26 | C33 | H33 | 56.8° | 167.6° |
C32 | C26 | C33 | H33A | 63.2° | 72.3° |
C32 | C26 | C33 | H33B | 176.8° | 47.6° |
H32 | C32 | H32A | H32B | 120.0° | 120.0° |
H32 | C32 | C26 | C33 | 58.1° | 60.0° |
H32A | C32 | C26 | C33 | 178.2° | 60.1° |
H32B | C32 | C26 | C33 | 61.9° | 180.0° |
C26 | C33 | H33 | H33A | 120.0° | 120.0° |
C26 | C33 | H33 | H33B | 120.0° | 120.0° |
C26 | C33 | H33A | H33B | 120.0° | 120.0° |
H33 | C33 | H33A | H33B | 120.0° | 120.0° |