ZM3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | C14 | sing | 1.47Å | 1.46Å | |
N | C15 | sing | 1.47Å | 1.47Å | |
N | C16 | sing | 1.47Å | 1.44Å | |
C1 | C2 | doub | 1.34Å | 1.36Å | |
C1 | C28 | sing | 1.51Å | 1.54Å | |
O1 | C5 | doub | 1.22Å | 1.22Å | |
C2 | C3 | sing | 1.46Å | 1.48Å | |
O2 | C11 | sing | 1.43Å | 1.42Å | |
O2 | C12 | sing | 1.43Å | 1.46Å | |
C3 | C4 | doub | 1.36Å | 1.34Å | |
O3 | C13 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.41Å | 1.50Å | |
O4 | C12 | sing | 1.43Å | 1.43Å | |
O4 | C18 | sing | 1.43Å | 1.46Å | |
C5 | C6 | sing | 1.51Å | 1.51Å | |
O5 | C24 | doub | 1.21Å | 1.23Å | |
C6 | C7 | sing | 1.53Å | 1.50Å | |
C6 | C8 | sing | 1.53Å | 1.56Å | |
O6 | C24 | sing | 1.34Å | 1.45Å | |
O6 | C25 | sing | 1.44Å | 1.42Å | |
O7 | C29 | sing | 1.43Å | 1.43Å | |
O7 | C30 | sing | 1.43Å | 1.42Å | |
C8 | C9 | sing | 1.53Å | 1.55Å | |
O8 | C31 | sing | 1.43Å | 1.42Å | |
O8 | C32 | sing | 1.43Å | 1.43Å | |
C9 | C10 | sing | 1.54Å | 1.56Å | |
C9 | C11 | sing | 1.53Å | 1.53Å | |
O9 | C33 | sing | 1.43Å | 1.44Å | |
O10 | C35 | sing | 1.43Å | 1.45Å | |
C11 | C20 | sing | 1.53Å | 1.53Å | |
O11 | C30 | sing | 1.43Å | 1.46Å | |
O11 | C36 | sing | 1.43Å | 1.45Å | |
C12 | C13 | sing | 1.53Å | 1.51Å | |
C13 | C14 | sing | 1.53Å | 1.54Å | |
C14 | C17 | sing | 1.53Å | 1.52Å | |
C17 | C18 | sing | 1.53Å | 1.54Å | |
C18 | C19 | sing | 1.53Å | 1.53Å | |
C20 | C21 | sing | 1.52Å | 1.55Å | |
C20 | C22 | sing | 1.50Å | 1.50Å | |
C22 | C23 | doub | 1.32Å | 1.33Å | |
C23 | C24 | sing | 1.48Å | 1.47Å | |
C25 | C26 | sing | 1.53Å | 1.52Å | |
C25 | C28 | sing | 1.53Å | 1.54Å | |
C26 | C27 | sing | 1.53Å | 1.50Å | |
C28 | C29 | sing | 1.53Å | 1.51Å | |
C30 | C31 | sing | 1.53Å | 1.52Å | |
C31 | C33 | sing | 1.53Å | 1.53Å | |
C33 | C35 | sing | 1.53Å | 1.54Å | |
C35 | C36 | sing | 1.53Å | 1.55Å | |
C36 | C37 | sing | 1.53Å | 1.53Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.09Å | 1.08Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
C7 | H7B | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
O9 | HO9 | sing | 0.97Å | 0.95Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C10 | H10B | sing | 1.09Å | 1.10Å | |
O10 | HO10 | sing | 0.97Å | 0.95Å | |
C11 | H11 | sing | 1.10Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
C15 | H15B | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H16A | sing | 1.09Å | 1.10Å | |
C16 | H16B | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H17A | sing | 1.09Å | 1.10Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C19 | H19A | sing | 1.09Å | 1.10Å | |
C19 | H19B | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.11Å | 1.10Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H21A | sing | 1.09Å | 1.10Å | |
C21 | H21B | sing | 1.09Å | 1.10Å | |
C22 | H22 | sing | 1.10Å | 1.08Å | |
C23 | H23 | sing | 1.07Å | 1.08Å | |
C25 | H25 | sing | 1.10Å | 1.10Å | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H26A | sing | 1.09Å | 1.10Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H27A | sing | 1.09Å | 1.10Å | |
C27 | H27B | sing | 1.09Å | 1.10Å | |
C28 | H28 | sing | 1.08Å | 1.10Å | |
C29 | H29 | sing | 1.09Å | 1.10Å | |
C29 | H29A | sing | 1.09Å | 1.10Å | |
C30 | H30 | sing | 1.09Å | 1.10Å | |
C31 | H31 | sing | 1.09Å | 1.10Å | |
C32 | H32 | sing | 1.09Å | 1.10Å | |
C32 | H32A | sing | 1.09Å | 1.10Å | |
C32 | H32B | sing | 1.09Å | 1.10Å | |
C33 | H33 | sing | 1.09Å | 1.10Å | |
C35 | H35 | sing | 1.09Å | 1.10Å | |
C36 | H36 | sing | 1.09Å | 1.10Å | |
C37 | H37 | sing | 1.09Å | 1.10Å | |
C37 | H37A | sing | 1.09Å | 1.10Å | |
C37 | H37B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C14 | N | C15 | 122.8° | 111.0° |
C14 | N | C16 | 113.6° | 111.0° |
N | C14 | C13 | 106.6° | 109.5° |
N | C14 | C17 | 113.1° | 109.6° |
N | C14 | H14 | 109.3° | 109.5° |
C15 | N | C16 | 116.3° | 111.0° |
N | C15 | H15 | 109.5° | 109.5° |
N | C15 | H15A | 109.4° | 109.5° |
N | C15 | H15B | 109.5° | 109.5° |
N | C16 | H16 | 109.5° | 109.5° |
N | C16 | H16A | 109.5° | 109.5° |
N | C16 | H16B | 109.5° | 109.5° |
C2 | C1 | C28 | 119.2° | 120.0° |
C1 | C2 | C3 | 122.9° | 120.9° |
C2 | C1 | H1 | 120.4° | 119.4° |
C1 | C2 | H2 | 118.5° | 119.8° |
C1 | C28 | C25 | 111.0° | 110.9° |
C1 | C28 | C29 | 111.6° | 109.3° |
C28 | C1 | H1 | 120.4° | 120.6° |
C1 | C28 | H28 | 109.6° | 109.2° |
O1 | C5 | C4 | 120.3° | 119.8° |
O1 | C5 | C6 | 117.3° | 119.4° |
C2 | C3 | C4 | 118.3° | 120.9° |
C3 | C2 | H2 | 118.5° | 119.2° |
C2 | C3 | H3 | 120.8° | 119.6° |
C11 | O2 | C12 | 115.6° | 114.0° |
O2 | C11 | C9 | 111.8° | 109.9° |
O2 | C11 | C20 | 105.7° | 109.0° |
O2 | C11 | H11 | 109.3° | 109.1° |
O2 | C12 | O4 | 109.0° | 109.5° |
O2 | C12 | C13 | 108.3° | 109.4° |
O2 | C12 | H12 | 110.7° | 109.4° |
C3 | C4 | C5 | 122.9° | 119.3° |
C4 | C3 | H3 | 120.8° | 119.5° |
C3 | C4 | H4 | 118.6° | 120.7° |
O3 | C13 | C12 | 109.3° | 109.6° |
O3 | C13 | C14 | 108.3° | 109.5° |
C13 | O3 | HO3 | 109.5° | 114.0° |
O3 | C13 | H13 | 111.6° | 109.5° |
C4 | C5 | C6 | 122.3° | 120.8° |
C5 | C4 | H4 | 118.5° | 120.0° |
C12 | O4 | C18 | 116.2° | 114.1° |
O4 | C12 | C13 | 107.6° | 109.4° |
O4 | C12 | H12 | 111.1° | 109.5° |
O4 | C18 | C17 | 110.1° | 109.4° |
O4 | C18 | C19 | 109.1° | 109.5° |
O4 | C18 | H18 | 108.4° | 109.4° |
C5 | C6 | C7 | 112.5° | 108.1° |
C5 | C6 | C8 | 111.0° | 110.6° |
C5 | C6 | H6 | 108.2° | 108.6° |
O5 | C24 | O6 | 120.9° | 122.3° |
O5 | C24 | C23 | 124.7° | 118.7° |
C7 | C6 | C8 | 109.1° | 108.8° |
C7 | C6 | H6 | 108.3° | 109.5° |
C6 | C7 | H7 | 109.5° | 109.5° |
C6 | C7 | H7A | 109.5° | 109.5° |
C6 | C7 | H7B | 109.5° | 109.5° |
C6 | C8 | C9 | 111.6° | 111.3° |
C8 | C6 | H6 | 107.6° | 111.3° |
C6 | C8 | H8 | 109.0° | 109.4° |
C6 | C8 | H8A | 109.0° | 109.4° |
C24 | O6 | C25 | 118.1° | 121.5° |
O6 | C24 | C23 | 114.4° | 119.0° |
O6 | C25 | C26 | 106.0° | 111.2° |
O6 | C25 | C28 | 109.4° | 111.6° |
O6 | C25 | H25 | 110.2° | 108.8° |
C29 | O7 | C30 | 110.1° | 114.0° |
O7 | C29 | C28 | 110.4° | 109.5° |
O7 | C29 | H29 | 109.2° | 109.5° |
O7 | C29 | H29A | 109.3° | 109.5° |
O7 | C30 | O11 | 112.3° | 109.5° |
O7 | C30 | C31 | 106.4° | 109.5° |
O7 | C30 | H30 | 109.0° | 109.5° |
C8 | C9 | C10 | 114.9° | 109.4° |
C8 | C9 | C11 | 111.2° | 110.2° |
C9 | C8 | H8 | 109.0° | 109.4° |
C9 | C8 | H8A | 108.9° | 108.9° |
C8 | C9 | H9 | 106.3° | 109.3° |
C31 | O8 | C32 | 114.9° | 114.0° |
O8 | C31 | C30 | 107.0° | 109.5° |
O8 | C31 | C33 | 105.0° | 109.5° |
O8 | C31 | H31 | 112.4° | 109.5° |
O8 | C32 | H32 | 109.5° | 109.4° |
O8 | C32 | H32A | 109.5° | 109.4° |
O8 | C32 | H32B | 109.5° | 109.5° |
C10 | C9 | C11 | 111.2° | 108.3° |
C10 | C9 | H9 | 106.2° | 109.2° |
C9 | C10 | H10 | 109.5° | 109.5° |
C9 | C10 | H10A | 109.5° | 109.5° |
C9 | C10 | H10B | 109.4° | 109.4° |
C9 | C11 | C20 | 114.3° | 111.6° |
C11 | C9 | H9 | 106.5° | 110.4° |
C9 | C11 | H11 | 107.8° | 108.5° |
O9 | C33 | C31 | 105.9° | 109.6° |
O9 | C33 | C35 | 111.0° | 109.6° |
C33 | O9 | HO9 | 109.5° | 114.0° |
O9 | C33 | H33 | 109.3° | 109.5° |
O10 | C35 | C33 | 109.1° | 109.5° |
O10 | C35 | C36 | 112.2° | 109.6° |
C35 | O10 | HO10 | 109.5° | 114.0° |
O10 | C35 | H35 | 107.9° | 109.5° |
C11 | C20 | C21 | 111.2° | 111.0° |
C11 | C20 | C22 | 107.0° | 110.7° |
C20 | C11 | H11 | 107.8° | 108.7° |
C11 | C20 | H20 | 111.4° | 107.9° |
C30 | O11 | C36 | 115.3° | 114.1° |
O11 | C30 | C31 | 112.6° | 109.4° |
O11 | C30 | H30 | 108.6° | 109.5° |
O11 | C36 | C35 | 109.4° | 109.4° |
O11 | C36 | C37 | 109.6° | 109.4° |
O11 | C36 | H36 | 110.2° | 109.5° |
C12 | C13 | C14 | 107.1° | 109.1° |
C13 | C12 | H12 | 110.0° | 109.5° |
C12 | C13 | H13 | 110.4° | 109.5° |
C13 | C14 | C17 | 110.9° | 109.0° |
C14 | C13 | H13 | 110.0° | 109.6° |
C13 | C14 | H14 | 108.3° | 109.5° |
C14 | C17 | C18 | 105.4° | 109.2° |
C17 | C14 | H14 | 108.5° | 109.6° |
C14 | C17 | H17 | 110.5° | 109.5° |
C14 | C17 | H17A | 110.5° | 109.5° |
C17 | C18 | C19 | 114.1° | 109.5° |
C18 | C17 | H17 | 110.5° | 109.5° |
C18 | C17 | H17A | 110.5° | 109.5° |
C17 | C18 | H18 | 107.4° | 109.5° |
C19 | C18 | H18 | 107.5° | 109.5° |
C18 | C19 | H19 | 109.5° | 109.5° |
C18 | C19 | H19A | 109.5° | 109.5° |
C18 | C19 | H19B | 109.5° | 109.5° |
C21 | C20 | C22 | 104.0° | 112.1° |
C21 | C20 | H20 | 111.1° | 107.5° |
C20 | C21 | H21 | 109.5° | 109.5° |
C20 | C21 | H21A | 109.5° | 109.5° |
C20 | C21 | H21B | 109.5° | 109.5° |
C20 | C22 | C23 | 117.3° | 123.9° |
C22 | C20 | H20 | 111.9° | 107.5° |
C20 | C22 | H22 | 121.4° | 117.9° |
C22 | C23 | C24 | 119.7° | 119.0° |
C23 | C22 | H22 | 121.4° | 118.2° |
C22 | C23 | H23 | 120.1° | 123.7° |
C24 | C23 | H23 | 120.2° | 117.3° |
C26 | C25 | C28 | 113.8° | 109.5° |
C25 | C26 | C27 | 108.0° | 109.5° |
C26 | C25 | H25 | 108.8° | 107.5° |
C25 | C26 | H26 | 109.9° | 109.5° |
C25 | C26 | H26A | 109.8° | 109.5° |
C25 | C28 | C29 | 105.1° | 108.9° |
C28 | C25 | H25 | 108.6° | 108.0° |
C25 | C28 | H28 | 109.6° | 109.8° |
C27 | C26 | H26 | 109.9° | 109.5° |
C27 | C26 | H26A | 109.9° | 109.5° |
C26 | C27 | H27 | 109.5° | 109.5° |
C26 | C27 | H27A | 109.5° | 109.5° |
C26 | C27 | H27B | 109.4° | 109.4° |
C29 | C28 | H28 | 109.9° | 108.7° |
C28 | C29 | H29 | 109.2° | 109.4° |
C28 | C29 | H29A | 109.2° | 109.4° |
C30 | C31 | C33 | 110.4° | 109.2° |
C31 | C30 | H30 | 107.7° | 109.5° |
C30 | C31 | H31 | 111.0° | 109.5° |
C31 | C33 | C35 | 114.3° | 109.0° |
C33 | C31 | H31 | 110.8° | 109.6° |
C31 | C33 | H33 | 108.2° | 109.5° |
C33 | C35 | C36 | 113.7° | 109.2° |
C35 | C33 | H33 | 108.0° | 109.6° |
C33 | C35 | H35 | 106.8° | 109.5° |
C35 | C36 | C37 | 109.6° | 109.5° |
C36 | C35 | H35 | 106.7° | 109.6° |
C35 | C36 | H36 | 108.9° | 109.5° |
C37 | C36 | H36 | 109.0° | 109.5° |
C36 | C37 | H37 | 109.5° | 109.5° |
C36 | C37 | H37A | 109.5° | 109.5° |
C36 | C37 | H37B | 109.5° | 109.5° |
H7 | C7 | H7A | 109.4° | 109.4° |
H7 | C7 | H7B | 109.5° | 109.4° |
H7A | C7 | H7B | 109.5° | 109.5° |
H8 | C8 | H8A | 109.5° | 108.3° |
H10 | C10 | H10A | 109.5° | 109.5° |
H10 | C10 | H10B | 109.5° | 109.4° |
H10A | C10 | H10B | 109.5° | 109.5° |
H15 | C15 | H15A | 109.5° | 109.5° |
H15 | C15 | H15B | 109.5° | 109.4° |
H15A | C15 | H15B | 109.5° | 109.4° |
H16 | C16 | H16A | 109.5° | 109.5° |
H16 | C16 | H16B | 109.5° | 109.5° |
H16A | C16 | H16B | 109.5° | 109.4° |
H17 | C17 | H17A | 109.4° | 109.5° |
H19 | C19 | H19A | 109.5° | 109.5° |
H19 | C19 | H19B | 109.5° | 109.5° |
H19A | C19 | H19B | 109.4° | 109.4° |
H21 | C21 | H21A | 109.4° | 109.4° |
H21 | C21 | H21B | 109.5° | 109.5° |
H21A | C21 | H21B | 109.4° | 109.5° |
H26 | C26 | H26A | 109.4° | 109.5° |
H27 | C27 | H27A | 109.5° | 109.5° |
H27 | C27 | H27B | 109.5° | 109.4° |
H27A | C27 | H27B | 109.5° | 109.5° |
H29 | C29 | H29A | 109.5° | 109.5° |
H32 | C32 | H32A | 109.5° | 109.5° |
H32 | C32 | H32B | 109.5° | 109.5° |
H32A | C32 | H32B | 109.5° | 109.5° |
H37 | C37 | H37A | 109.5° | 109.4° |
H37 | C37 | H37B | 109.5° | 109.5° |
H37A | C37 | H37B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C14 | N | C15 | C16 | 148.3° | 123.9° |
N | C14 | C13 | O3 | 54.5° | 63.2° |
N | C14 | C13 | C12 | 172.3° | 176.8° |
N | C14 | C13 | C17 | 123.5° | 119.9° |
N | C14 | C13 | H14 | 117.5° | 120.2° |
N | C14 | C17 | H14 | 121.5° | 120.2° |
N | C14 | C17 | C18 | 179.7° | 176.9° |
N | C14 | C13 | H13 | 67.7° | 56.9° |
C14 | N | C15 | H15 | 180.0° | 59.9° |
C14 | N | C15 | H15A | 60.0° | 180.0° |
C14 | N | C15 | H15B | 60.0° | 60.1° |
C14 | N | C16 | H16 | 180.0° | 64.7° |
C14 | N | C16 | H16A | 60.0° | 175.2° |
C14 | N | C16 | H16B | 60.0° | 55.2° |
N | C14 | C17 | H17 | 60.3° | 63.2° |
N | C14 | C17 | H17A | 61.0° | 56.9° |
C15 | N | C14 | C13 | 68.3° | 65.5° |
C15 | N | C14 | C17 | 53.8° | 54.1° |
C15 | N | C14 | H14 | 174.8° | 174.4° |
N | C15 | H15 | H15A | 120.0° | 120.1° |
N | C15 | H15 | H15B | 120.0° | 120.0° |
N | C15 | H15A | H15B | 120.0° | 119.9° |
C15 | N | C16 | H16 | 28.8° | 171.3° |
C15 | N | C16 | H16A | 91.3° | 51.3° |
C15 | N | C16 | H16B | 148.8° | 68.7° |
C16 | N | C14 | C13 | 142.6° | 170.6° |
C16 | N | C14 | C17 | 95.3° | 69.8° |
C16 | N | C14 | H14 | 25.7° | 50.5° |
C16 | N | C15 | H15 | 31.6° | 64.0° |
C16 | N | C15 | H15A | 151.7° | 56.1° |
C16 | N | C15 | H15B | 88.4° | 176.0° |
N | C16 | H16 | H16A | 120.0° | 120.0° |
N | C16 | H16 | H16B | 120.0° | 120.0° |
N | C16 | H16A | H16B | 120.0° | 120.0° |
C2 | C1 | C28 | H1 | 180.0° | 179.1° |
C1 | C2 | C3 | H2 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 161.1° | 12.1° |
C2 | C1 | C28 | C25 | 91.1° | 176.8° |
C2 | C1 | C28 | C29 | 152.0° | 56.7° |
C1 | C2 | C3 | H3 | 18.9° | 167.2° |
C2 | C1 | C28 | H28 | 30.0° | 62.1° |
C28 | C1 | C2 | C3 | 177.6° | 178.3° |
C1 | C28 | C25 | O6 | 54.0° | 13.1° |
C1 | C28 | C29 | O7 | 64.3° | 66.0° |
C1 | C28 | C25 | C26 | 172.4° | 136.7° |
C1 | C28 | C25 | C29 | 120.8° | 120.3° |
C1 | C28 | C25 | H28 | 121.2° | 120.7° |
C1 | C28 | C29 | H28 | 121.8° | 119.1° |
C28 | C1 | C2 | H2 | 2.4° | 1.7° |
C1 | C28 | C25 | H25 | 66.3° | 106.5° |
C1 | C28 | C29 | H29 | 55.8° | 54.0° |
C1 | C28 | C29 | H29A | 175.5° | 174.0° |
O1 | C5 | C4 | C3 | 8.8° | 1.7° |
O1 | C5 | C4 | C6 | 175.7° | 179.7° |
O1 | C5 | C6 | C7 | 115.4° | 10.2° |
O1 | C5 | C6 | C8 | 122.1° | 129.2° |
O1 | C5 | C4 | H4 | 171.2° | 178.5° |
O1 | C5 | C6 | H6 | 4.2° | 108.5° |
C2 | C3 | C4 | H3 | 180.0° | 179.3° |
C2 | C3 | C4 | C5 | 176.1° | 179.9° |
C3 | C2 | C1 | H1 | 2.4° | 2.6° |
C2 | C3 | C4 | H4 | 3.9° | 0.0° |
C11 | O2 | C12 | O4 | 76.6° | 65.0° |
O2 | C11 | C9 | C8 | 52.1° | 7.5° |
O2 | C11 | C9 | C10 | 77.3° | 127.1° |
O2 | C11 | C9 | C20 | 120.0° | 121.0° |
O2 | C11 | C9 | H11 | 120.2° | 119.3° |
O2 | C11 | C20 | H11 | 116.8° | 118.9° |
C11 | O2 | C12 | C13 | 166.5° | 175.1° |
O2 | C11 | C20 | C21 | 60.1° | 174.6° |
O2 | C11 | C20 | C22 | 173.0° | 60.3° |
O2 | C11 | C9 | H9 | 167.5° | 113.4° |
C11 | O2 | C12 | H12 | 45.9° | 55.1° |
O2 | C11 | C20 | H20 | 64.4° | 57.0° |
O2 | C12 | C13 | O3 | 65.7° | 62.5° |
O2 | C12 | O4 | C13 | 117.3° | 120.0° |
O2 | C12 | O4 | H12 | 122.3° | 120.0° |
O2 | C12 | O4 | C18 | 177.4° | 178.9° |
C12 | O2 | C11 | C9 | 122.5° | 150.0° |
C12 | O2 | C11 | C20 | 112.6° | 87.5° |
O2 | C12 | C13 | H12 | 121.1° | 119.9° |
O2 | C12 | C13 | C14 | 177.1° | 177.6° |
C12 | O2 | C11 | H11 | 3.2° | 31.1° |
O2 | C12 | C13 | H13 | 57.4° | 57.7° |
C3 | C4 | C5 | H4 | 180.0° | 179.8° |
C3 | C4 | C5 | C6 | 166.9° | 178.6° |
C4 | C3 | C2 | H2 | 18.9° | 167.9° |
O3 | C13 | C12 | O4 | 176.5° | 177.5° |
O3 | C13 | C12 | C14 | 117.2° | 119.9° |
O3 | C13 | C12 | H13 | 123.1° | 120.2° |
O3 | C13 | C14 | H13 | 122.2° | 120.1° |
O3 | C13 | C14 | C17 | 178.0° | 176.9° |
O3 | C13 | C12 | H12 | 55.4° | 57.5° |
O3 | C13 | C14 | H14 | 63.1° | 57.0° |
C4 | C5 | C6 | C7 | 68.7° | 170.0° |
C4 | C5 | C6 | C8 | 53.8° | 51.0° |
C5 | C4 | C3 | H3 | 3.9° | 0.9° |
C4 | C5 | C6 | H6 | 171.7° | 71.3° |
O4 | C12 | C13 | H12 | 121.2° | 120.0° |
O4 | C12 | C13 | C14 | 59.4° | 57.6° |
C12 | O4 | C18 | C17 | 58.8° | 61.1° |
C12 | O4 | C18 | C19 | 175.2° | 178.9° |
O4 | C12 | C13 | H13 | 60.4° | 62.4° |
C12 | O4 | C18 | H18 | 58.4° | 58.8° |
C18 | O4 | C12 | C13 | 60.1° | 61.1° |
O4 | C18 | C17 | C14 | 55.2° | 57.6° |
O4 | C18 | C17 | C19 | 123.1° | 120.0° |
O4 | C18 | C17 | H18 | 117.8° | 119.9° |
O4 | C18 | C19 | H18 | 117.4° | 120.0° |
C18 | O4 | C12 | H12 | 60.4° | 58.9° |
O4 | C18 | C17 | H17 | 174.6° | 177.5° |
O4 | C18 | C17 | H17A | 64.2° | 62.4° |
O4 | C18 | C19 | H19 | 180.0° | 60.0° |
O4 | C18 | C19 | H19A | 60.0° | 180.0° |
O4 | C18 | C19 | H19B | 60.0° | 60.1° |
C5 | C6 | C7 | C8 | 123.6° | 120.1° |
C5 | C6 | C7 | H6 | 119.5° | 118.1° |
C5 | C6 | C8 | H6 | 118.3° | 120.7° |
C5 | C6 | C8 | C9 | 50.8° | 122.0° |
C6 | C5 | C4 | H4 | 13.1° | 1.3° |
C5 | C6 | C7 | H7 | 180.0° | 60.0° |
C5 | C6 | C7 | H7A | 60.0° | 180.0° |
C5 | C6 | C7 | H7B | 60.0° | 60.0° |
C5 | C6 | C8 | H8 | 69.5° | 1.0° |
C5 | C6 | C8 | H8A | 171.1° | 117.5° |
O5 | C24 | O6 | C23 | 179.6° | 180.0° |
O5 | C24 | O6 | C25 | 9.5° | 0.7° |
O5 | C24 | C23 | C22 | 0.2° | 1.5° |
O5 | C24 | C23 | H23 | 179.8° | 178.0° |
C7 | C6 | C8 | H6 | 117.3° | 120.7° |
C7 | C6 | C8 | C9 | 175.2° | 119.4° |
C6 | C7 | H7 | H7A | 120.0° | 120.0° |
C6 | C7 | H7 | H7B | 120.0° | 120.0° |
C6 | C7 | H7A | H7B | 120.0° | 120.0° |
C7 | C6 | C8 | H8 | 54.9° | 119.6° |
C7 | C6 | C8 | H8A | 64.5° | 1.0° |
C6 | C8 | C9 | H8 | 120.3° | 121.0° |
C6 | C8 | C9 | H8A | 120.3° | 120.7° |
C6 | C8 | C9 | C10 | 55.0° | 56.6° |
C6 | C8 | C9 | C11 | 177.6° | 175.6° |
C8 | C6 | C7 | H7 | 56.4° | 179.9° |
C8 | C6 | C7 | H7A | 63.6° | 59.9° |
C8 | C6 | C7 | H7B | 176.4° | 60.1° |
C6 | C8 | H8 | H8A | 119.1° | 119.2° |
C6 | C8 | C9 | H9 | 62.1° | 63.0° |
O6 | C24 | C23 | C22 | 179.8° | 178.5° |
C24 | O6 | C25 | C26 | 142.5° | 62.0° |
C24 | O6 | C25 | C28 | 94.4° | 60.6° |
O6 | C24 | C23 | H23 | 0.2° | 2.0° |
C24 | O6 | C25 | H25 | 24.9° | 179.8° |
C25 | O6 | C24 | C23 | 170.1° | 179.3° |
O6 | C25 | C26 | C28 | 120.2° | 123.8° |
O6 | C25 | C26 | H25 | 118.5° | 119.0° |
O6 | C25 | C28 | H25 | 120.3° | 119.6° |
O6 | C25 | C26 | C27 | 57.0° | 65.0° |
O6 | C25 | C28 | C29 | 174.8° | 133.4° |
O6 | C25 | C26 | H26 | 176.8° | 175.0° |
O6 | C25 | C26 | H26A | 62.7° | 55.0° |
O6 | C25 | C28 | H28 | 67.1° | 107.7° |
C29 | O7 | C30 | O11 | 45.0° | 70.4° |
O7 | C29 | C28 | C25 | 175.3° | 172.7° |
O7 | C29 | C28 | H29 | 120.1° | 120.0° |
O7 | C29 | C28 | H29A | 120.1° | 120.0° |
C29 | O7 | C30 | C31 | 168.7° | 169.6° |
O7 | C29 | C28 | H28 | 57.5° | 53.1° |
O7 | C29 | H29 | H29A | 119.6° | 120.1° |
C29 | O7 | C30 | H30 | 75.4° | 49.6° |
O7 | C30 | C31 | O8 | 71.4° | 62.5° |
O7 | C30 | O11 | C31 | 120.1° | 120.0° |
O7 | C30 | O11 | H30 | 120.7° | 120.0° |
O7 | C30 | O11 | C36 | 179.5° | 178.9° |
C30 | O7 | C29 | C28 | 162.0° | 86.5° |
O7 | C30 | C31 | H30 | 116.8° | 120.0° |
O7 | C30 | C31 | C33 | 174.8° | 177.6° |
C30 | O7 | C29 | H29 | 41.9° | 153.6° |
C30 | O7 | C29 | H29A | 77.8° | 33.5° |
O7 | C30 | C31 | H31 | 51.6° | 57.6° |
C8 | C9 | C10 | C11 | 127.5° | 120.1° |
C8 | C9 | C10 | H9 | 117.1° | 119.6° |
C8 | C9 | C11 | H9 | 115.4° | 120.9° |
C8 | C9 | C11 | C20 | 67.9° | 128.5° |
C9 | C8 | C6 | H6 | 67.5° | 1.3° |
C9 | C8 | H8 | H8A | 119.0° | 118.6° |
C8 | C9 | C10 | H10 | 180.0° | 60.0° |
C8 | C9 | C10 | H10A | 60.0° | 180.0° |
C8 | C9 | C10 | H10B | 60.0° | 60.0° |
C8 | C9 | C11 | H11 | 172.3° | 111.8° |
O8 | C31 | C33 | O9 | 37.3° | 57.0° |
O8 | C31 | C30 | O11 | 165.1° | 177.5° |
O8 | C31 | C30 | C33 | 113.8° | 119.9° |
O8 | C31 | C30 | H31 | 123.0° | 120.1° |
O8 | C31 | C33 | H31 | 121.6° | 120.2° |
O8 | C31 | C33 | C35 | 159.9° | 176.9° |
O8 | C31 | C30 | H30 | 45.4° | 57.5° |
C31 | O8 | C32 | H32 | 180.0° | 175.0° |
C31 | O8 | C32 | H32A | 60.0° | 55.0° |
C31 | O8 | C32 | H32B | 60.0° | 65.0° |
O8 | C31 | C33 | H33 | 79.7° | 63.2° |
C32 | O8 | C31 | C30 | 82.3° | 95.2° |
C32 | O8 | C31 | C33 | 160.4° | 145.1° |
C32 | O8 | C31 | H31 | 39.8° | 24.9° |
O8 | C32 | H32 | H32A | 120.0° | 120.0° |
O8 | C32 | H32 | H32B | 120.0° | 120.0° |
O8 | C32 | H32A | H32B | 120.0° | 120.0° |
C10 | C9 | C11 | H9 | 115.2° | 119.5° |
C10 | C9 | C11 | C20 | 162.7° | 111.9° |
C10 | C9 | C8 | H8 | 175.3° | 177.6° |
C10 | C9 | C8 | H8A | 65.3° | 64.1° |
C9 | C10 | H10 | H10A | 120.0° | 120.0° |
C9 | C10 | H10 | H10B | 120.0° | 120.0° |
C9 | C10 | H10A | H10B | 120.0° | 120.0° |
C10 | C9 | C11 | H11 | 42.9° | 7.8° |
C9 | C11 | C20 | H11 | 119.8° | 119.6° |
C9 | C11 | C20 | C21 | 176.5° | 63.9° |
C9 | C11 | C20 | C22 | 63.6° | 61.2° |
C11 | C9 | C8 | H8 | 57.2° | 63.4° |
C11 | C9 | C8 | H8A | 62.1° | 54.8° |
C11 | C9 | C10 | H10 | 52.6° | 179.9° |
C11 | C9 | C10 | H10A | 67.5° | 59.9° |
C11 | C9 | C10 | H10B | 172.6° | 60.1° |
C9 | C11 | C20 | H20 | 59.0° | 178.5° |
O9 | C33 | C35 | O10 | 51.0° | 57.0° |
O9 | C33 | C31 | C30 | 77.7° | 62.9° |
O9 | C33 | C31 | C35 | 122.5° | 119.9° |
O9 | C33 | C31 | H33 | 117.1° | 120.2° |
O9 | C33 | C35 | H33 | 119.8° | 120.2° |
O9 | C33 | C35 | C36 | 75.2° | 62.9° |
O9 | C33 | C31 | H31 | 158.9° | 177.1° |
O9 | C33 | C35 | H35 | 167.3° | 177.1° |
O10 | C35 | C36 | O11 | 172.4° | 177.6° |
O10 | C35 | C33 | C31 | 170.7° | 176.9° |
O10 | C35 | C33 | C36 | 126.2° | 120.0° |
O10 | C35 | C33 | H35 | 116.3° | 120.1° |
O10 | C35 | C36 | H35 | 118.0° | 120.1° |
O10 | C35 | C36 | C37 | 67.3° | 62.5° |
O10 | C35 | C33 | H33 | 68.8° | 63.2° |
O10 | C35 | C36 | H36 | 51.9° | 57.5° |
C11 | C20 | C21 | C22 | 114.8° | 124.3° |
C11 | C20 | C21 | H20 | 124.7° | 117.8° |
C11 | C20 | C22 | H20 | 122.3° | 117.6° |
C11 | C20 | C22 | C23 | 147.8° | 109.6° |
C20 | C11 | C9 | H9 | 47.5° | 7.6° |
C11 | C20 | C21 | H21 | 180.0° | 60.0° |
C11 | C20 | C21 | H21A | 60.0° | 180.0° |
C11 | C20 | C21 | H21B | 60.0° | 60.0° |
C11 | C20 | C22 | H22 | 32.3° | 69.4° |
O11 | C30 | C31 | H30 | 119.7° | 120.0° |
O11 | C30 | C31 | C33 | 51.3° | 57.6° |
C30 | O11 | C36 | C35 | 56.6° | 61.2° |
C30 | O11 | C36 | C37 | 176.8° | 178.8° |
O11 | C30 | C31 | H31 | 71.9° | 62.4° |
C30 | O11 | C36 | H36 | 63.1° | 58.8° |
C36 | O11 | C30 | C31 | 60.3° | 61.2° |
O11 | C36 | C35 | C33 | 47.9° | 57.6° |
O11 | C36 | C35 | C37 | 120.3° | 120.0° |
O11 | C36 | C35 | H36 | 120.5° | 120.0° |
O11 | C36 | C37 | H36 | 120.8° | 120.0° |
C36 | O11 | C30 | H30 | 58.9° | 58.8° |
O11 | C36 | C35 | H35 | 69.6° | 62.3° |
O11 | C36 | C37 | H37 | 180.0° | 60.0° |
O11 | C36 | C37 | H37A | 60.0° | 180.0° |
O11 | C36 | C37 | H37B | 60.0° | 60.0° |
C12 | C13 | C14 | H13 | 120.0° | 119.9° |
C12 | C13 | C14 | C17 | 64.2° | 56.9° |
C12 | C13 | O3 | HO3 | 180.0° | 60.0° |
C12 | C13 | C14 | H14 | 54.7° | 63.0° |
C13 | C14 | C17 | H14 | 118.9° | 119.9° |
C13 | C14 | C17 | C18 | 60.7° | 57.0° |
C14 | C13 | O3 | HO3 | 63.6° | 179.7° |
C14 | C13 | C12 | H12 | 61.8° | 62.4° |
C13 | C14 | C17 | H17 | 180.0° | 176.9° |
C13 | C14 | C17 | H17A | 58.7° | 62.9° |
C14 | C17 | C18 | H17 | 119.4° | 120.0° |
C14 | C17 | C18 | H17A | 119.4° | 119.9° |
C14 | C17 | C18 | C19 | 178.3° | 177.6° |
C17 | C14 | C13 | H13 | 55.7° | 63.0° |
C14 | C17 | H17 | H17A | 121.9° | 120.2° |
C14 | C17 | C18 | H18 | 62.6° | 62.3° |
C17 | C18 | C19 | H18 | 119.0° | 120.1° |
C18 | C17 | C14 | H14 | 58.2° | 62.9° |
C18 | C17 | H17 | H17A | 121.9° | 120.1° |
C17 | C18 | C19 | H19 | 56.4° | 179.9° |
C17 | C18 | C19 | H19A | 63.6° | 60.1° |
C17 | C18 | C19 | H19B | 176.4° | 59.9° |
C19 | C18 | C17 | H17 | 62.3° | 62.5° |
C19 | C18 | C17 | H17A | 58.9° | 57.6° |
C18 | C19 | H19 | H19A | 120.0° | 120.0° |
C18 | C19 | H19 | H19B | 120.0° | 120.1° |
C18 | C19 | H19A | H19B | 120.0° | 120.0° |
C21 | C20 | C22 | H20 | 120.0° | 117.9° |
C21 | C20 | C22 | C23 | 94.5° | 14.9° |
C21 | C20 | C11 | H11 | 56.7° | 55.7° |
C20 | C21 | H21 | H21A | 120.0° | 120.0° |
C20 | C21 | H21 | H21B | 120.0° | 120.0° |
C20 | C21 | H21A | H21B | 120.0° | 120.0° |
C21 | C20 | C22 | H22 | 85.5° | 166.1° |
C20 | C22 | C23 | H22 | 180.0° | 179.0° |
C20 | C22 | C23 | C24 | 177.7° | 178.6° |
C22 | C20 | C11 | H11 | 56.2° | 179.2° |
C22 | C20 | C21 | H21 | 65.2° | 64.3° |
C22 | C20 | C21 | H21A | 174.8° | 55.6° |
C22 | C20 | C21 | H21B | 54.8° | 175.7° |
C20 | C22 | C23 | H23 | 2.3° | 1.9° |
C22 | C23 | C24 | H23 | 180.0° | 179.5° |
C23 | C22 | C20 | H20 | 25.5° | 132.8° |
C24 | C23 | C22 | H22 | 2.3° | 2.4° |
C26 | C25 | C28 | H25 | 121.4° | 116.8° |
C25 | C26 | C27 | H26 | 119.8° | 120.0° |
C25 | C26 | C27 | H26A | 119.8° | 120.0° |
C26 | C25 | C28 | C29 | 66.9° | 103.0° |
C25 | C26 | H26 | H26A | 120.7° | 120.0° |
C25 | C26 | C27 | H27 | 180.0° | 180.0° |
C25 | C26 | C27 | H27A | 60.0° | 60.0° |
C25 | C26 | C27 | H27B | 60.0° | 60.1° |
C26 | C25 | C28 | H28 | 51.2° | 16.0° |
C28 | C25 | C26 | C27 | 177.3° | 171.2° |
C25 | C28 | C29 | H28 | 117.8° | 119.6° |
C25 | C28 | C1 | H1 | 88.9° | 2.3° |
C28 | C25 | C26 | H26 | 62.9° | 51.2° |
C28 | C25 | C26 | H26A | 57.5° | 68.8° |
C25 | C28 | C29 | H29 | 64.6° | 67.3° |
C25 | C28 | C29 | H29A | 55.2° | 52.7° |
C27 | C26 | C25 | H25 | 61.5° | 54.0° |
C27 | C26 | H26 | H26A | 120.7° | 120.0° |
C26 | C27 | H27 | H27A | 120.0° | 120.0° |
C26 | C27 | H27 | H27B | 120.0° | 119.9° |
C26 | C27 | H27A | H27B | 120.0° | 120.0° |
C29 | C28 | C1 | H1 | 28.0° | 122.4° |
C29 | C28 | C25 | H25 | 54.5° | 13.8° |
C28 | C29 | H29 | H29A | 119.6° | 120.0° |
C30 | C31 | C33 | H31 | 123.4° | 120.0° |
C30 | C31 | C33 | C35 | 44.8° | 57.0° |
C30 | C31 | C33 | H33 | 165.2° | 176.9° |
C31 | C33 | C35 | H33 | 120.5° | 119.9° |
C31 | C33 | C35 | C36 | 44.5° | 57.0° |
C31 | C33 | O9 | HO9 | 180.0° | 180.0° |
C33 | C31 | C30 | H30 | 68.3° | 62.3° |
C31 | C33 | C35 | H35 | 73.0° | 63.0° |
C33 | C35 | C36 | H35 | 117.5° | 119.9° |
C33 | C35 | C36 | C37 | 168.1° | 177.6° |
C35 | C33 | O9 | HO9 | 55.4° | 60.4° |
C33 | C35 | O10 | HO10 | 180.0° | 180.0° |
C35 | C33 | C31 | H31 | 78.5° | 63.0° |
C33 | C35 | C36 | H36 | 72.6° | 62.4° |
C35 | C36 | C37 | H36 | 119.1° | 120.0° |
C36 | C35 | O10 | HO10 | 53.0° | 60.3° |
C36 | C35 | C33 | H33 | 165.0° | 176.9° |
C35 | C36 | C37 | H37 | 59.9° | 180.0° |
C35 | C36 | C37 | H37A | 60.1° | 60.0° |
C35 | C36 | C37 | H37B | 179.9° | 60.0° |
C37 | C36 | C35 | H35 | 50.6° | 57.6° |
C36 | C37 | H37 | H37A | 120.0° | 120.0° |
C36 | C37 | H37 | H37B | 120.0° | 120.0° |
C36 | C37 | H37A | H37B | 120.0° | 120.0° |
H1 | C1 | C2 | H2 | 177.6° | 177.4° |
H1 | C1 | C28 | H28 | 150.0° | 118.8° |
H2 | C2 | C3 | H3 | 161.1° | 12.8° |
H3 | C3 | C4 | H4 | 176.0° | 179.3° |
HO3 | O3 | C13 | H13 | 57.6° | 60.2° |
H6 | C6 | C7 | H7 | 60.5° | 58.1° |
H6 | C6 | C7 | H7A | 179.6° | 61.9° |
H6 | C6 | C7 | H7B | 59.5° | 178.1° |
H6 | C6 | C8 | H8 | 172.2° | 119.7° |
H6 | C6 | C8 | H8A | 52.8° | 121.7° |
H7 | C7 | H7A | H7B | 120.0° | 119.9° |
H8 | C8 | C9 | H9 | 58.2° | 58.1° |
H8A | C8 | C9 | H9 | 177.6° | 176.3° |
H9 | C9 | C10 | H10 | 62.8° | 59.6° |
H9 | C9 | C10 | H10A | 177.1° | 60.4° |
H9 | C9 | C10 | H10B | 57.1° | 179.6° |
H9 | C9 | C11 | H11 | 72.3° | 127.4° |
HO9 | O9 | C33 | H33 | 63.6° | 59.9° |
H10 | C10 | H10A | H10B | 120.0° | 120.0° |
HO10 | O10 | C35 | H35 | 64.3° | 59.9° |
H11 | C11 | C20 | H20 | 178.8° | 61.9° |
H12 | C12 | C13 | H13 | 178.5° | 177.6° |
H13 | C13 | C14 | H14 | 174.7° | 177.1° |
H14 | C14 | C17 | H17 | 61.2° | 57.0° |
H14 | C14 | C17 | H17A | 177.6° | 177.2° |
H15 | C15 | H15A | H15B | 120.0° | 119.9° |
H16 | C16 | H16A | H16B | 120.0° | 120.0° |
H17 | C17 | C18 | H18 | 56.8° | 57.6° |
H17A | C17 | C18 | H18 | 178.0° | 177.7° |
H18 | C18 | C19 | H19 | 62.6° | 60.0° |
H18 | C18 | C19 | H19A | 177.4° | 60.0° |
H18 | C18 | C19 | H19B | 57.4° | 180.0° |
H19 | C19 | H19A | H19B | 120.0° | 120.0° |
H20 | C20 | C21 | H21 | 55.3° | 177.8° |
H20 | C20 | C21 | H21A | 64.7° | 62.2° |
H20 | C20 | C21 | H21B | 175.3° | 57.8° |
H20 | C20 | C22 | H22 | 154.5° | 48.2° |
H21 | C21 | H21A | H21B | 119.9° | 120.0° |
H22 | C22 | C23 | H23 | 177.7° | 177.1° |
H25 | C25 | C26 | H26 | 58.3° | 66.0° |
H25 | C25 | C26 | H26A | 178.7° | 174.0° |
H25 | C25 | C28 | H28 | 172.6° | 132.8° |
H26 | C26 | C27 | H27 | 60.2° | 60.0° |
H26 | C26 | C27 | H27A | 179.8° | 180.0° |
H26 | C26 | C27 | H27B | 59.8° | 59.9° |
H26A | C26 | C27 | H27 | 60.3° | 60.0° |
H26A | C26 | C27 | H27A | 59.8° | 60.0° |
H26A | C26 | C27 | H27B | 179.8° | 179.9° |
H27 | C27 | H27A | H27B | 120.0° | 120.0° |
H28 | C28 | C29 | H29 | 177.6° | 173.1° |
H28 | C28 | C29 | H29A | 62.7° | 66.9° |
H30 | C30 | C31 | H31 | 168.4° | 177.6° |
H31 | C31 | C33 | H33 | 41.9° | 57.0° |
H32 | C32 | H32A | H32B | 120.0° | 120.1° |
H33 | C33 | C35 | H35 | 47.5° | 56.9° |
H35 | C35 | C36 | H36 | 169.9° | 177.6° |
H36 | C36 | C37 | H37 | 59.2° | 60.0° |
H36 | C36 | C37 | H37A | 179.2° | 59.9° |
H36 | C36 | C37 | H37B | 60.8° | 180.0° |
H37 | C37 | H37A | H37B | 120.0° | 120.0° |