ZL4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | C9 | doub | 1.21Å | 1.23Å | |
O | C2 | sing | 1.43Å | 1.41Å | |
C11 | C10 | sing | 1.53Å | 1.53Å | |
C11 | C12 | sing | 1.52Å | 1.48Å | |
C9 | C10 | sing | 1.49Å | 1.51Å | |
C9 | N | sing | 1.34Å | 1.34Å | |
N4 | C34 | doub | 1.31Å | 1.32Å | Aromatic |
N4 | C36 | sing | 1.35Å | 1.37Å | Aromatic |
C8 | N | sing | 1.48Å | 1.46Å | |
C8 | C34 | sing | 1.51Å | 1.50Å | |
C8 | C7 | sing | 1.53Å | 1.53Å | |
O1 | C2 | sing | 1.43Å | 1.41Å | |
C10 | C12 | sing | 1.54Å | 1.51Å | |
C6 | C7 | sing | 1.53Å | 1.52Å | |
C6 | C5 | sing | 1.53Å | 1.52Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | C1 | sing | 1.53Å | 1.53Å | |
C33 | C12 | sing | 1.53Å | 1.53Å | |
C33 | C32 | sing | 1.53Å | 1.53Å | |
C34 | N3 | sing | 1.36Å | 1.36Å | Aromatic |
C12 | C13 | sing | 1.53Å | 1.53Å | |
C36 | C35 | doub | 1.35Å | 1.37Å | Aromatic |
C1 | C | sing | 1.53Å | 1.52Å | |
C32 | N1 | sing | 1.44Å | 1.50Å | |
N3 | C35 | sing | 1.40Å | 1.37Å | Aromatic |
C13 | C14 | sing | 1.52Å | 1.52Å | |
C35 | C27 | sing | 1.46Å | 1.47Å | |
C28 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
N1 | C14 | sing | 1.44Å | 1.50Å | |
N1 | C15 | sing | 1.44Å | 1.50Å | |
C27 | C26 | sing | 1.41Å | 1.39Å | Aromatic |
C29 | C30 | doub | 1.40Å | 1.39Å | Aromatic |
C15 | C16 | sing | 1.53Å | 1.51Å | |
C26 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
C16 | C17 | sing | 1.53Å | 1.52Å | |
C30 | C25 | sing | 1.43Å | 1.41Å | Aromatic |
C30 | C31 | sing | 1.42Å | 1.47Å | Aromatic |
C25 | C24 | sing | 1.41Å | 1.43Å | Aromatic |
C17 | C18 | sing | 1.53Å | 1.52Å | |
O2 | C31 | sing | 1.36Å | 1.22Å | |
C31 | N2 | doub | 1.34Å | 1.39Å | Aromatic |
C18 | C19 | sing | 1.53Å | 1.54Å | |
C24 | C23 | doub | 1.36Å | 1.33Å | Aromatic |
N2 | C23 | sing | 1.34Å | 1.38Å | Aromatic |
N2 | C22 | sing | 1.46Å | 1.47Å | |
C19 | C20 | sing | 1.53Å | 1.52Å | |
C22 | C21 | sing | 1.53Å | 1.53Å | |
C20 | C21 | sing | 1.53Å | 1.53Å | |
C24 | H1 | sing | 1.08Å | 1.08Å | |
C26 | H2 | sing | 1.08Å | 1.08Å | |
C23 | H3 | sing | 1.08Å | 1.08Å | |
C22 | H4 | sing | 1.09Å | 1.10Å | |
C22 | H5 | sing | 1.09Å | 1.10Å | |
C21 | H6 | sing | 1.09Å | 1.10Å | |
C21 | H7 | sing | 1.09Å | 1.10Å | |
C20 | H8 | sing | 1.09Å | 1.10Å | |
C20 | H9 | sing | 1.09Å | 1.10Å | |
C19 | H10 | sing | 1.09Å | 1.10Å | |
C19 | H11 | sing | 1.09Å | 1.10Å | |
C28 | H12 | sing | 1.08Å | 1.08Å | |
C18 | H13 | sing | 1.09Å | 1.10Å | |
C18 | H14 | sing | 1.09Å | 1.10Å | |
C17 | H15 | sing | 1.09Å | 1.10Å | |
C17 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H17 | sing | 1.09Å | 1.10Å | |
C16 | H18 | sing | 1.09Å | 1.10Å | |
C15 | H19 | sing | 1.09Å | 1.10Å | |
C15 | H20 | sing | 1.09Å | 1.10Å | |
C11 | H21 | sing | 1.09Å | 1.10Å | |
C11 | H22 | sing | 1.09Å | 1.10Å | |
C13 | H23 | sing | 1.09Å | 1.10Å | |
C13 | H24 | sing | 1.09Å | 1.10Å | |
C14 | H25 | sing | 1.09Å | 1.10Å | |
C14 | H26 | sing | 1.09Å | 1.10Å | |
O1 | H27 | sing | 0.97Å | 0.95Å | |
C10 | H29 | sing | 1.09Å | 1.10Å | |
C7 | H30 | sing | 1.09Å | 1.10Å | |
C7 | H31 | sing | 1.09Å | 1.10Å | |
C8 | H32 | sing | 1.09Å | 1.10Å | |
C6 | H33 | sing | 1.09Å | 1.10Å | |
C6 | H34 | sing | 1.09Å | 1.10Å | |
C4 | H35 | sing | 1.09Å | 1.10Å | |
C4 | H36 | sing | 1.09Å | 1.10Å | |
C3 | H37 | sing | 1.09Å | 1.10Å | |
C3 | H38 | sing | 1.09Å | 1.10Å | |
C1 | H39 | sing | 1.09Å | 1.10Å | |
C1 | H40 | sing | 1.09Å | 1.10Å | |
C5 | H41 | sing | 1.09Å | 1.10Å | |
C5 | H42 | sing | 1.09Å | 1.10Å | |
N | H43 | sing | 0.97Å | 1.00Å | |
C33 | H44 | sing | 1.09Å | 1.10Å | |
C33 | H45 | sing | 1.09Å | 1.10Å | |
C32 | H46 | sing | 1.09Å | 1.10Å | |
C32 | H47 | sing | 1.09Å | 1.10Å | |
C29 | H48 | sing | 1.08Å | 1.08Å | |
N3 | H49 | sing | 0.97Å | 1.00Å | |
C36 | H50 | sing | 1.08Å | 1.08Å | |
O | H52 | sing | 0.97Å | 0.95Å | |
C | H53 | sing | 1.09Å | 1.10Å | |
C | H54 | sing | 1.09Å | 1.10Å | |
C | H55 | sing | 1.09Å | 1.10Å | |
O2 | H28 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C9 | C10 | 121.8° | 115.8° |
O3 | C9 | N | 122.6° | 115.8° |
O | C2 | O1 | 110.4° | 109.5° |
O | C2 | C3 | 110.9° | 109.5° |
O | C2 | C1 | 104.6° | 109.5° |
C2 | O | H52 | 109.5° | 114.0° |
C10 | C11 | C12 | 60.2° | 60.4° |
C11 | C10 | C9 | 117.5° | 118.9° |
C11 | C10 | C12 | 58.4° | 59.5° |
C10 | C11 | H21 | 120.0° | 117.5° |
C10 | C11 | H22 | 120.0° | 117.4° |
C11 | C10 | H29 | 116.0° | 117.2° |
C11 | C12 | C10 | 61.4° | 60.0° |
C11 | C12 | C33 | 121.5° | 117.4° |
C11 | C12 | C13 | 119.7° | 118.0° |
C12 | C11 | H21 | 120.0° | 117.5° |
C12 | C11 | H22 | 120.0° | 117.5° |
C10 | C9 | N | 115.6° | 128.4° |
C9 | C10 | C12 | 119.8° | 117.3° |
C9 | C10 | H29 | 116.3° | 115.8° |
C9 | N | C8 | 121.8° | 120.2° |
C9 | N | H43 | 119.1° | 119.9° |
C34 | N4 | C36 | 104.7° | 109.2° |
N4 | C34 | C8 | 123.9° | 129.0° |
N4 | C34 | N3 | 111.7° | 108.2° |
N4 | C36 | C35 | 111.0° | 107.7° |
N4 | C36 | H50 | 124.4° | 126.2° |
N | C8 | C34 | 106.7° | 106.1° |
N | C8 | C7 | 110.6° | 110.1° |
N | C8 | H32 | 110.3° | 110.2° |
C8 | N | H43 | 119.1° | 119.9° |
C34 | C8 | C7 | 110.4° | 110.1° |
C8 | C34 | N3 | 124.4° | 122.8° |
C34 | C8 | H32 | 109.6° | 110.1° |
C8 | C7 | C6 | 113.4° | 109.5° |
C8 | C7 | H30 | 108.5° | 109.4° |
C8 | C7 | H31 | 108.5° | 109.4° |
C7 | C8 | H32 | 109.2° | 110.2° |
O1 | C2 | C3 | 107.9° | 109.4° |
O1 | C2 | C1 | 113.0° | 109.5° |
C2 | O1 | H27 | 109.5° | 114.0° |
C10 | C12 | C33 | 122.1° | 117.0° |
C10 | C12 | C13 | 114.3° | 117.3° |
C12 | C10 | H29 | 116.3° | 116.3° |
C7 | C6 | C5 | 113.3° | 109.5° |
C6 | C7 | H30 | 108.5° | 109.5° |
C6 | C7 | H31 | 108.5° | 109.5° |
C7 | C6 | H33 | 108.5° | 109.5° |
C7 | C6 | H34 | 108.5° | 109.5° |
C6 | C5 | C4 | 115.1° | 109.5° |
C5 | C6 | H33 | 108.5° | 109.5° |
C5 | C6 | H34 | 108.5° | 109.4° |
C6 | C5 | H41 | 108.1° | 109.5° |
C6 | C5 | H42 | 108.1° | 109.4° |
C5 | C4 | C3 | 112.0° | 109.5° |
C5 | C4 | H35 | 108.9° | 109.5° |
C5 | C4 | H36 | 108.8° | 109.5° |
C4 | C5 | H41 | 108.0° | 109.5° |
C4 | C5 | H42 | 108.0° | 109.5° |
C4 | C3 | C2 | 115.5° | 109.5° |
C3 | C4 | H35 | 108.8° | 109.5° |
C3 | C4 | H36 | 108.8° | 109.5° |
C4 | C3 | H37 | 108.0° | 109.5° |
C4 | C3 | H38 | 107.9° | 109.5° |
C3 | C2 | C1 | 110.2° | 109.5° |
C2 | C3 | H37 | 107.9° | 109.5° |
C2 | C3 | H38 | 107.9° | 109.5° |
C2 | C1 | C | 114.0° | 109.5° |
C2 | C1 | H39 | 108.3° | 109.5° |
C2 | C1 | H40 | 108.3° | 109.5° |
C12 | C33 | C32 | 113.3° | 109.8° |
C33 | C12 | C13 | 110.3° | 115.8° |
C12 | C33 | H44 | 108.5° | 109.4° |
C12 | C33 | H45 | 108.5° | 109.4° |
C33 | C32 | N1 | 110.9° | 110.3° |
C32 | C33 | H44 | 108.5° | 109.4° |
C32 | C33 | H45 | 108.5° | 109.4° |
C33 | C32 | H46 | 109.1° | 109.2° |
C33 | C32 | H47 | 109.1° | 109.3° |
C34 | N3 | C35 | 107.8° | 105.2° |
C34 | N3 | H49 | 126.1° | 127.4° |
C12 | C13 | C14 | 112.7° | 111.1° |
C12 | C13 | H23 | 108.7° | 109.2° |
C12 | C13 | H24 | 108.7° | 109.2° |
C36 | C35 | N3 | 104.8° | 105.6° |
C36 | C35 | C27 | 131.1° | 133.8° |
C35 | C36 | H50 | 124.5° | 126.2° |
C | C1 | H39 | 108.3° | 109.5° |
C | C1 | H40 | 108.3° | 109.5° |
C1 | C | H53 | 109.5° | 109.5° |
C1 | C | H54 | 109.5° | 109.5° |
C1 | C | H55 | 109.5° | 109.5° |
C32 | N1 | C14 | 111.9° | 114.5° |
C32 | N1 | C15 | 112.0° | 116.6° |
N1 | C32 | H46 | 109.1° | 109.3° |
N1 | C32 | H47 | 109.2° | 109.4° |
N3 | C35 | C27 | 124.1° | 120.7° |
C35 | N3 | H49 | 126.1° | 127.4° |
C13 | C14 | N1 | 110.8° | 112.1° |
C14 | C13 | H23 | 108.7° | 109.2° |
C14 | C13 | H24 | 108.7° | 109.1° |
C13 | C14 | H25 | 109.2° | 108.9° |
C13 | C14 | H26 | 109.1° | 108.9° |
C35 | C27 | C28 | 120.4° | 124.0° |
C35 | C27 | C26 | 120.1° | 115.4° |
C27 | C28 | C29 | 120.7° | 119.0° |
C28 | C27 | C26 | 119.5° | 119.0° |
C27 | C28 | H12 | 119.7° | 120.5° |
C28 | C29 | C30 | 120.4° | 121.2° |
C29 | C28 | H12 | 119.7° | 120.5° |
C28 | C29 | H48 | 119.8° | 119.4° |
C14 | N1 | C15 | 110.3° | 118.3° |
N1 | C14 | H25 | 109.1° | 109.0° |
N1 | C14 | H26 | 109.1° | 109.0° |
N1 | C15 | C16 | 113.4° | 109.9° |
N1 | C15 | H19 | 108.5° | 109.4° |
N1 | C15 | H20 | 108.5° | 109.3° |
C27 | C26 | C25 | 120.6° | 118.9° |
C27 | C26 | H2 | 119.7° | 120.5° |
C29 | C30 | C25 | 119.8° | 117.3° |
C29 | C30 | C31 | 119.3° | 125.2° |
C30 | C29 | H48 | 119.8° | 119.4° |
C15 | C16 | C17 | 112.3° | 109.6° |
C15 | C16 | H17 | 108.8° | 109.4° |
C15 | C16 | H18 | 108.7° | 109.4° |
C16 | C15 | H19 | 108.5° | 109.4° |
C16 | C15 | H20 | 108.5° | 109.4° |
C26 | C25 | C30 | 119.1° | 119.6° |
C26 | C25 | C24 | 122.0° | 123.4° |
C25 | C26 | H2 | 119.7° | 120.6° |
C16 | C17 | C18 | 114.9° | 109.0° |
C16 | C17 | H15 | 108.1° | 109.5° |
C16 | C17 | H16 | 108.1° | 109.6° |
C17 | C16 | H17 | 108.8° | 109.5° |
C17 | C16 | H18 | 108.8° | 109.4° |
C25 | C30 | C31 | 120.9° | 117.5° |
C30 | C25 | C24 | 118.9° | 116.9° |
C30 | C31 | O2 | 123.7° | 119.2° |
C30 | C31 | N2 | 114.7° | 121.4° |
C25 | C24 | C23 | 119.6° | 119.9° |
C25 | C24 | H1 | 120.2° | 120.0° |
C17 | C18 | C19 | 114.6° | 110.2° |
C17 | C18 | H13 | 108.2° | 109.4° |
C17 | C18 | H14 | 108.2° | 109.2° |
C18 | C17 | H15 | 108.1° | 109.6° |
C18 | C17 | H16 | 108.1° | 109.6° |
O2 | C31 | N2 | 121.6° | 119.3° |
C31 | O2 | H28 | 109.5° | 114.0° |
C31 | N2 | C23 | 123.4° | 120.1° |
C31 | N2 | C22 | 115.5° | 120.7° |
C18 | C19 | C20 | 113.5° | 109.8° |
C18 | C19 | H10 | 108.5° | 109.4° |
C18 | C19 | H11 | 108.5° | 109.3° |
C19 | C18 | H13 | 108.2° | 109.3° |
C19 | C18 | H14 | 108.2° | 109.3° |
C24 | C23 | N2 | 122.4° | 122.0° |
C23 | C24 | H1 | 120.2° | 120.0° |
C24 | C23 | H3 | 118.8° | 119.0° |
C23 | N2 | C22 | 121.1° | 119.1° |
N2 | C23 | H3 | 118.8° | 119.0° |
N2 | C22 | C21 | 114.1° | 109.6° |
N2 | C22 | H4 | 108.3° | 109.5° |
N2 | C22 | H5 | 108.3° | 109.4° |
C19 | C20 | C21 | 117.5° | 109.6° |
C19 | C20 | H8 | 107.5° | 109.5° |
C19 | C20 | H9 | 107.4° | 109.4° |
C20 | C19 | H10 | 108.5° | 109.5° |
C20 | C19 | H11 | 108.5° | 109.4° |
C22 | C21 | C20 | 116.9° | 111.0° |
C21 | C22 | H4 | 108.3° | 109.5° |
C21 | C22 | H5 | 108.3° | 109.4° |
C22 | C21 | H6 | 107.6° | 109.1° |
C22 | C21 | H7 | 107.6° | 109.2° |
C20 | C21 | H6 | 107.6° | 109.2° |
C20 | C21 | H7 | 107.6° | 109.1° |
C21 | C20 | H8 | 107.4° | 109.4° |
C21 | C20 | H9 | 107.4° | 109.4° |
H4 | C22 | H5 | 109.5° | 109.4° |
H6 | C21 | H7 | 109.5° | 109.1° |
H8 | C20 | H9 | 109.5° | 109.5° |
H10 | C19 | H11 | 109.5° | 109.4° |
H13 | C18 | H14 | 109.5° | 109.4° |
H15 | C17 | H16 | 109.5° | 109.6° |
H17 | C16 | H18 | 109.5° | 109.4° |
H19 | C15 | H20 | 109.4° | 109.4° |
H21 | C11 | H22 | 109.5° | 115.5° |
H23 | C13 | H24 | 109.4° | 109.0° |
H25 | C14 | H26 | 109.5° | 108.9° |
H30 | C7 | H31 | 109.5° | 109.5° |
H33 | C6 | H34 | 109.5° | 109.5° |
H35 | C4 | H36 | 109.5° | 109.5° |
H37 | C3 | H38 | 109.5° | 109.5° |
H39 | C1 | H40 | 109.5° | 109.5° |
H41 | C5 | H42 | 109.5° | 109.5° |
H44 | C33 | H45 | 109.4° | 109.4° |
H46 | C32 | H47 | 109.4° | 109.2° |
H53 | C | H54 | 109.5° | 109.5° |
H53 | C | H55 | 109.5° | 109.5° |
H54 | C | H55 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C9 | C10 | C11 | 7.7° | 102.5° |
O3 | C9 | C10 | N | 179.2° | 179.9° |
O3 | C9 | N | C8 | 2.4° | 115.8° |
O3 | C9 | C10 | C12 | 59.8° | 34.0° |
O3 | C9 | C10 | H29 | 151.7° | 109.5° |
O3 | C9 | N | H43 | 177.6° | 64.2° |
O | C2 | O1 | C3 | 121.3° | 120.0° |
O | C2 | O1 | C1 | 116.7° | 120.0° |
O | C2 | C3 | C4 | 59.9° | 60.0° |
O | C2 | C3 | C1 | 115.3° | 120.0° |
O | C2 | C1 | C | 179.3° | 60.0° |
O | C2 | O1 | H27 | 180.0° | 180.0° |
O | C2 | C3 | H37 | 61.0° | 60.0° |
O | C2 | C3 | H38 | 179.2° | 180.0° |
O | C2 | C1 | H39 | 60.0° | 60.0° |
O | C2 | C1 | H40 | 58.7° | 180.0° |
C10 | C11 | C12 | H21 | 109.5° | 107.6° |
C10 | C11 | C12 | H22 | 109.6° | 107.6° |
C11 | C10 | C9 | C12 | 67.5° | 68.5° |
C11 | C10 | C9 | H29 | 144.0° | 147.9° |
C11 | C10 | C9 | N | 173.2° | 77.6° |
C11 | C10 | C12 | H29 | 105.7° | 107.5° |
C11 | C10 | C12 | C33 | 111.1° | 107.6° |
C10 | C11 | C12 | C13 | 103.2° | 107.0° |
C10 | C11 | H21 | H22 | 144.6° | 145.4° |
C11 | C12 | C33 | C13 | 147.6° | 146.8° |
C11 | C12 | C33 | C32 | 161.5° | 100.4° |
C11 | C12 | C13 | C14 | 159.9° | 103.1° |
C12 | C11 | H21 | H22 | 144.6° | 145.5° |
C11 | C12 | C13 | H23 | 39.4° | 136.4° |
C11 | C12 | C13 | H24 | 79.6° | 17.3° |
C11 | C12 | C33 | H44 | 77.9° | 19.7° |
C11 | C12 | C33 | H45 | 40.9° | 139.4° |
C10 | C9 | N | C8 | 176.7° | 64.1° |
C9 | C10 | C12 | H29 | 148.5° | 143.4° |
C9 | C10 | C12 | C33 | 5.3° | 1.5° |
C9 | C10 | C12 | C13 | 142.4° | 142.7° |
C9 | C10 | C11 | H21 | 140.8° | 1.2° |
C9 | C10 | C11 | H22 | 0.1° | 145.9° |
C10 | C9 | N | H43 | 3.3° | 115.9° |
C9 | N | C8 | H43 | 180.0° | 180.0° |
C9 | N | C8 | C34 | 82.0° | 116.8° |
C9 | N | C8 | C7 | 158.0° | 2.3° |
N | C9 | C10 | C12 | 119.4° | 146.1° |
N | C9 | C10 | H29 | 29.2° | 70.4° |
C9 | N | C8 | H32 | 37.0° | 124.0° |
N4 | C34 | C8 | N | 135.5° | 98.8° |
N4 | C34 | C8 | N3 | 177.5° | 179.2° |
N4 | C34 | C8 | C7 | 104.2° | 142.0° |
C34 | N4 | C36 | C35 | 0.3° | 1.6° |
N4 | C34 | N3 | C35 | 0.1° | 19.5° |
N4 | C34 | C8 | H32 | 16.1° | 20.4° |
N4 | C34 | N3 | H49 | 179.9° | 160.5° |
C34 | N4 | C36 | H50 | 179.7° | 178.3° |
C36 | N4 | C34 | C8 | 177.5° | 169.2° |
C36 | N4 | C34 | N3 | 0.2° | 11.5° |
N4 | C36 | C35 | H50 | 180.0° | 179.9° |
N4 | C36 | C35 | N3 | 0.2° | 13.5° |
N4 | C36 | C35 | C27 | 177.1° | 166.5° |
N | C8 | C34 | C7 | 120.2° | 119.2° |
N | C8 | C34 | H32 | 119.4° | 119.2° |
N | C8 | C7 | H32 | 121.6° | 121.7° |
N | C8 | C7 | C6 | 176.7° | 178.8° |
N | C8 | C34 | N3 | 47.0° | 82.0° |
N | C8 | C7 | H30 | 56.1° | 58.8° |
N | C8 | C7 | H31 | 62.8° | 61.2° |
C34 | C8 | C7 | H32 | 120.6° | 121.6° |
C34 | C8 | C7 | C6 | 65.5° | 64.5° |
C8 | C34 | N3 | C35 | 177.6° | 161.2° |
C34 | C8 | C7 | H30 | 173.9° | 175.4° |
C34 | C8 | C7 | H31 | 55.0° | 55.5° |
C34 | C8 | N | H43 | 98.0° | 63.2° |
C8 | C34 | N3 | H49 | 2.4° | 18.8° |
C8 | C7 | C6 | H30 | 120.6° | 120.0° |
C8 | C7 | C6 | H31 | 120.6° | 120.0° |
C8 | C7 | C6 | C5 | 179.4° | 175.1° |
C7 | C8 | C34 | N3 | 73.2° | 37.1° |
C8 | C7 | H30 | H31 | 118.2° | 119.9° |
C8 | C7 | C6 | H33 | 60.1° | 55.1° |
C8 | C7 | C6 | H34 | 58.8° | 64.9° |
C7 | C8 | N | H43 | 22.1° | 177.7° |
O1 | C2 | C3 | C4 | 61.1° | 60.0° |
O1 | C2 | C3 | C1 | 123.8° | 120.0° |
O1 | C2 | C1 | C | 60.6° | 60.0° |
O1 | C2 | C3 | H37 | 178.0° | 180.0° |
O1 | C2 | C3 | H38 | 59.8° | 60.0° |
O1 | C2 | C1 | H39 | 60.1° | 180.0° |
O1 | C2 | C1 | H40 | 178.7° | 60.0° |
O1 | C2 | O | H52 | 180.0° | 180.0° |
C10 | C12 | C33 | C13 | 138.6° | 144.8° |
C10 | C12 | C33 | C32 | 87.7° | 168.9° |
C10 | C12 | C13 | C14 | 90.3° | 171.8° |
C10 | C12 | C13 | H23 | 30.2° | 67.7° |
C10 | C12 | C13 | H24 | 149.2° | 51.4° |
C10 | C12 | C33 | H44 | 151.7° | 48.8° |
C10 | C12 | C33 | H45 | 32.9° | 71.0° |
C7 | C6 | C5 | H33 | 120.6° | 120.0° |
C7 | C6 | C5 | H34 | 120.6° | 120.0° |
C7 | C6 | C5 | C4 | 173.8° | 180.0° |
C6 | C7 | H30 | H31 | 118.2° | 120.1° |
C6 | C7 | C8 | H32 | 55.1° | 57.1° |
C7 | C6 | H33 | H34 | 118.3° | 120.1° |
C7 | C6 | C5 | H41 | 53.0° | 60.0° |
C7 | C6 | C5 | H42 | 65.4° | 60.0° |
C6 | C5 | C4 | H41 | 120.8° | 120.0° |
C6 | C5 | C4 | H42 | 120.8° | 120.0° |
C6 | C5 | C4 | C3 | 175.5° | 180.0° |
C5 | C6 | C7 | H30 | 58.8° | 64.9° |
C5 | C6 | C7 | H31 | 60.1° | 55.1° |
C5 | C6 | H33 | H34 | 118.3° | 119.9° |
C6 | C5 | C4 | H35 | 55.1° | 60.0° |
C6 | C5 | C4 | H36 | 64.1° | 60.0° |
C6 | C5 | H41 | H42 | 117.5° | 120.0° |
C5 | C4 | C3 | H35 | 120.4° | 120.0° |
C5 | C4 | C3 | H36 | 120.4° | 120.0° |
C5 | C4 | C3 | C2 | 158.3° | 180.0° |
C4 | C5 | C6 | H33 | 65.7° | 60.0° |
C4 | C5 | C6 | H34 | 53.2° | 60.0° |
C5 | C4 | H35 | H36 | 118.9° | 120.0° |
C5 | C4 | C3 | H37 | 37.5° | 60.0° |
C5 | C4 | C3 | H38 | 80.8° | 60.0° |
C4 | C5 | H41 | H42 | 117.4° | 120.0° |
C4 | C3 | C2 | H37 | 120.9° | 120.0° |
C4 | C3 | C2 | H38 | 120.9° | 120.0° |
C4 | C3 | C2 | C1 | 175.2° | 180.0° |
C3 | C4 | H35 | H36 | 118.8° | 120.0° |
C4 | C3 | H37 | H38 | 117.3° | 120.0° |
C3 | C4 | C5 | H41 | 63.7° | 60.0° |
C3 | C4 | C5 | H42 | 54.7° | 60.0° |
C3 | C2 | C1 | C | 60.1° | 180.0° |
C3 | C2 | O1 | H27 | 58.7° | 60.1° |
C2 | C3 | C4 | H35 | 81.3° | 60.0° |
C2 | C3 | C4 | H36 | 38.0° | 60.0° |
C2 | C3 | H37 | H38 | 117.3° | 120.0° |
C3 | C2 | C1 | H39 | 179.2° | 60.0° |
C3 | C2 | C1 | H40 | 60.5° | 60.0° |
C3 | C2 | O | H52 | 60.5° | 60.0° |
C2 | C1 | C | H39 | 120.7° | 120.0° |
C2 | C1 | C | H40 | 120.7° | 120.0° |
C1 | C2 | O1 | H27 | 63.3° | 59.9° |
C1 | C2 | C3 | H37 | 54.3° | 60.0° |
C1 | C2 | C3 | H38 | 64.0° | 60.0° |
C2 | C1 | H39 | H40 | 117.9° | 120.0° |
C1 | C2 | O | H52 | 58.2° | 60.0° |
C2 | C1 | C | H53 | 180.0° | 60.0° |
C2 | C1 | C | H54 | 60.0° | 60.0° |
C2 | C1 | C | H55 | 60.0° | 180.0° |
C12 | C33 | C32 | H44 | 120.6° | 120.1° |
C12 | C33 | C32 | H45 | 120.6° | 120.1° |
C12 | C33 | C32 | N1 | 53.5° | 53.1° |
C33 | C12 | C13 | C14 | 51.8° | 43.5° |
C33 | C12 | C11 | H21 | 138.3° | 0.8° |
C33 | C12 | C11 | H22 | 2.6° | 145.6° |
C33 | C12 | C13 | H23 | 172.3° | 77.0° |
C33 | C12 | C13 | H24 | 68.7° | 163.9° |
C33 | C12 | C10 | H29 | 143.3° | 144.9° |
C12 | C33 | H44 | H45 | 118.2° | 119.8° |
C12 | C33 | C32 | H46 | 173.7° | 173.3° |
C12 | C33 | C32 | H47 | 66.8° | 67.3° |
C32 | C33 | C12 | C13 | 50.9° | 46.4° |
C33 | C32 | N1 | H46 | 120.2° | 120.2° |
C33 | C32 | N1 | H47 | 120.2° | 120.3° |
C33 | C32 | N1 | C14 | 56.3° | 61.9° |
C33 | C32 | N1 | C15 | 179.3° | 82.3° |
C32 | C33 | H44 | H45 | 118.3° | 119.8° |
C33 | C32 | H46 | H47 | 119.3° | 119.5° |
C34 | N3 | C35 | C36 | 0.1° | 20.0° |
C34 | N3 | C35 | H49 | 180.0° | 180.0° |
C34 | N3 | C35 | C27 | 177.5° | 159.9° |
N3 | C34 | C8 | H32 | 166.4° | 158.8° |
C12 | C13 | C14 | H23 | 120.5° | 120.5° |
C12 | C13 | C14 | H24 | 120.5° | 120.4° |
C12 | C13 | C14 | N1 | 55.5° | 47.3° |
C13 | C12 | C11 | H21 | 6.3° | 145.3° |
C13 | C12 | C11 | H22 | 147.3° | 0.5° |
C12 | C13 | H23 | H24 | 118.5° | 119.2° |
C12 | C13 | C14 | H25 | 64.6° | 168.0° |
C12 | C13 | C14 | H26 | 175.7° | 73.4° |
C13 | C12 | C10 | H29 | 6.2° | 0.7° |
C13 | C12 | C33 | H44 | 69.7° | 166.5° |
C13 | C12 | C33 | H45 | 171.5° | 73.7° |
C36 | C35 | N3 | C27 | 177.5° | 179.9° |
C36 | C35 | C27 | C28 | 18.1° | 31.1° |
C36 | C35 | C27 | C26 | 162.9° | 163.8° |
C36 | C35 | N3 | H49 | 179.9° | 160.0° |
C | C1 | H39 | H40 | 117.9° | 120.0° |
C1 | C | H53 | H54 | 120.0° | 120.0° |
C1 | C | H53 | H55 | 120.0° | 120.0° |
C1 | C | H54 | H55 | 120.0° | 120.0° |
C32 | N1 | C14 | C13 | 57.5° | 59.0° |
C32 | N1 | C14 | C15 | 125.4° | 143.5° |
C32 | N1 | C15 | C16 | 97.1° | 3.4° |
C32 | N1 | C15 | H19 | 23.5° | 116.8° |
C32 | N1 | C15 | H20 | 142.3° | 123.4° |
C32 | N1 | C14 | H25 | 62.7° | 179.6° |
C32 | N1 | C14 | H26 | 177.7° | 61.7° |
N1 | C32 | C33 | H44 | 67.1° | 173.2° |
N1 | C32 | C33 | H45 | 174.0° | 67.0° |
N1 | C32 | H46 | H47 | 119.4° | 119.6° |
N3 | C35 | C27 | C28 | 158.7° | 148.8° |
N3 | C35 | C27 | C26 | 20.3° | 16.3° |
N3 | C35 | C36 | H50 | 179.8° | 166.4° |
C13 | C14 | N1 | H25 | 120.2° | 120.6° |
C13 | C14 | N1 | H26 | 120.2° | 120.7° |
C13 | C14 | N1 | C15 | 177.1° | 84.6° |
C14 | C13 | H23 | H24 | 118.6° | 119.2° |
C13 | C14 | H25 | H26 | 119.4° | 118.7° |
C35 | C27 | C28 | C26 | 179.0° | 164.6° |
C35 | C27 | C28 | C29 | 177.6° | 144.0° |
C35 | C27 | C26 | C25 | 178.5° | 147.4° |
C35 | C27 | C26 | H2 | 1.5° | 32.6° |
C35 | C27 | C28 | H12 | 2.4° | 36.1° |
C27 | C35 | N3 | H49 | 2.5° | 20.1° |
C27 | C35 | C36 | H50 | 2.9° | 13.7° |
C27 | C28 | C29 | H12 | 180.0° | 179.9° |
C27 | C28 | C29 | C30 | 0.8° | 3.4° |
C28 | C27 | C26 | C25 | 0.5° | 18.5° |
C28 | C27 | C26 | H2 | 179.5° | 161.5° |
C27 | C28 | C29 | H48 | 179.2° | 176.5° |
C29 | C28 | C27 | C26 | 1.4° | 20.6° |
C28 | C29 | C30 | H48 | 180.0° | 179.9° |
C28 | C29 | C30 | C25 | 0.7° | 15.3° |
C28 | C29 | C30 | C31 | 179.7° | 164.0° |
C14 | N1 | C15 | C16 | 137.6° | 139.4° |
C14 | N1 | C15 | H19 | 101.8° | 100.4° |
C14 | N1 | C15 | H20 | 17.0° | 19.4° |
N1 | C14 | C13 | H23 | 176.0° | 73.2° |
N1 | C14 | C13 | H24 | 64.9° | 167.7° |
N1 | C14 | H25 | H26 | 119.4° | 118.8° |
C14 | N1 | C32 | H46 | 176.5° | 178.0° |
C14 | N1 | C32 | H47 | 64.0° | 58.5° |
N1 | C15 | C16 | H19 | 120.6° | 120.2° |
N1 | C15 | C16 | H20 | 120.6° | 120.0° |
N1 | C15 | C16 | C17 | 172.3° | 176.3° |
N1 | C15 | C16 | H17 | 51.9° | 56.2° |
N1 | C15 | C16 | H18 | 67.3° | 63.7° |
N1 | C15 | H19 | H20 | 118.2° | 119.7° |
C15 | N1 | C14 | H25 | 62.7° | 36.0° |
C15 | N1 | C14 | H26 | 56.9° | 154.8° |
C15 | N1 | C32 | H46 | 59.1° | 37.9° |
C15 | N1 | C32 | H47 | 60.5° | 157.4° |
C27 | C26 | C25 | H2 | 180.0° | 180.0° |
C27 | C26 | C25 | C30 | 1.0° | 0.5° |
C27 | C26 | C25 | C24 | 178.8° | 176.8° |
C26 | C27 | C28 | H12 | 178.6° | 159.3° |
C29 | C30 | C25 | C26 | 1.5° | 17.1° |
C29 | C30 | C25 | C31 | 179.6° | 179.4° |
C29 | C30 | C25 | C24 | 178.2° | 166.3° |
C29 | C30 | C31 | O2 | 0.2° | 2.8° |
C29 | C30 | C31 | N2 | 179.4° | 177.2° |
C30 | C29 | C28 | H12 | 179.2° | 176.5° |
C15 | C16 | C17 | H17 | 120.4° | 120.1° |
C15 | C16 | C17 | H18 | 120.4° | 120.0° |
C15 | C16 | C17 | C18 | 174.2° | 170.6° |
C15 | C16 | C17 | H15 | 65.0° | 50.8° |
C15 | C16 | C17 | H16 | 53.5° | 69.4° |
C15 | C16 | H17 | H18 | 118.7° | 119.9° |
C16 | C15 | H19 | H20 | 118.2° | 119.8° |
C26 | C25 | C30 | C24 | 179.7° | 176.6° |
C26 | C25 | C30 | C31 | 178.9° | 162.3° |
C26 | C25 | C24 | C23 | 179.2° | 161.3° |
C26 | C25 | C24 | H1 | 0.8° | 18.7° |
C16 | C17 | C18 | H15 | 120.8° | 119.8° |
C16 | C17 | C18 | H16 | 120.8° | 119.9° |
C16 | C17 | C18 | C19 | 160.0° | 149.4° |
C16 | C17 | C18 | H13 | 79.2° | 29.1° |
C16 | C17 | C18 | H14 | 39.3° | 90.5° |
C16 | C17 | H15 | H16 | 117.5° | 120.2° |
C17 | C16 | H17 | H18 | 118.8° | 119.9° |
C17 | C16 | C15 | H19 | 67.1° | 63.6° |
C17 | C16 | C15 | H20 | 51.7° | 56.2° |
C25 | C30 | C31 | O2 | 179.8° | 176.5° |
C25 | C30 | C31 | N2 | 0.2° | 3.5° |
C30 | C25 | C24 | C23 | 1.1° | 15.2° |
C30 | C25 | C24 | H1 | 178.9° | 164.8° |
C30 | C25 | C26 | H2 | 179.0° | 179.5° |
C25 | C30 | C29 | H48 | 179.3° | 164.8° |
C31 | C30 | C25 | C24 | 1.4° | 14.3° |
C30 | C31 | O2 | N2 | 179.5° | 180.0° |
C30 | C31 | N2 | C23 | 1.3° | 7.4° |
C30 | C31 | N2 | C22 | 176.9° | 170.3° |
C31 | C30 | C29 | H48 | 0.3° | 15.9° |
C30 | C31 | O2 | H28 | 180.0° | 90.0° |
C25 | C24 | C23 | H1 | 180.0° | 180.0° |
C25 | C24 | C23 | N2 | 0.4° | 4.7° |
C24 | C25 | C26 | H2 | 1.2° | 3.2° |
C25 | C24 | C23 | H3 | 179.6° | 175.3° |
C17 | C18 | C19 | H13 | 120.7° | 120.3° |
C17 | C18 | C19 | H14 | 120.7° | 120.0° |
C17 | C18 | C19 | C20 | 52.7° | 146.2° |
C17 | C18 | C19 | H10 | 173.3° | 93.6° |
C17 | C18 | C19 | H11 | 67.9° | 26.2° |
C17 | C18 | H13 | H14 | 117.7° | 119.5° |
C18 | C17 | H15 | H16 | 117.5° | 120.2° |
C18 | C17 | C16 | H17 | 53.8° | 69.3° |
C18 | C17 | C16 | H18 | 65.4° | 50.6° |
O2 | C31 | N2 | C23 | 178.3° | 172.7° |
O2 | C31 | N2 | C22 | 3.5° | 9.7° |
C31 | N2 | C23 | C24 | 1.7° | 6.9° |
C31 | N2 | C23 | C22 | 178.1° | 177.7° |
C31 | N2 | C22 | C21 | 134.3° | 139.2° |
C31 | N2 | C23 | H3 | 178.3° | 173.0° |
C31 | N2 | C22 | H4 | 13.6° | 100.7° |
C31 | N2 | C22 | H5 | 105.0° | 19.2° |
N2 | C31 | O2 | H28 | 0.4° | 89.9° |
C18 | C19 | C20 | H10 | 120.6° | 120.1° |
C18 | C19 | C20 | H11 | 120.6° | 120.0° |
C18 | C19 | C20 | C21 | 148.8° | 151.0° |
C18 | C19 | C20 | H8 | 27.6° | 30.9° |
C18 | C19 | C20 | H9 | 90.1° | 89.0° |
C18 | C19 | H10 | H11 | 118.2° | 119.8° |
C19 | C18 | H13 | H14 | 117.7° | 119.7° |
C19 | C18 | C17 | H15 | 39.2° | 90.8° |
C19 | C18 | C17 | H16 | 79.2° | 29.4° |
C24 | C23 | N2 | H3 | 180.0° | 180.0° |
C24 | C23 | N2 | C22 | 176.4° | 170.8° |
C23 | N2 | C22 | C21 | 43.9° | 38.5° |
N2 | C23 | C24 | H1 | 179.6° | 175.3° |
C23 | N2 | C22 | H4 | 164.6° | 81.6° |
C23 | N2 | C22 | H5 | 76.7° | 158.5° |
N2 | C22 | C21 | H4 | 120.7° | 120.1° |
N2 | C22 | C21 | H5 | 120.7° | 120.0° |
N2 | C22 | C21 | C20 | 53.1° | 109.4° |
C22 | N2 | C23 | H3 | 3.6° | 9.3° |
N2 | C22 | H4 | H5 | 117.9° | 119.9° |
N2 | C22 | C21 | H6 | 174.2° | 130.2° |
N2 | C22 | C21 | H7 | 67.9° | 11.0° |
C19 | C20 | C21 | C22 | 36.2° | 175.8° |
C19 | C20 | C21 | H8 | 121.2° | 120.1° |
C19 | C20 | C21 | H9 | 121.2° | 120.0° |
C19 | C20 | C21 | H6 | 84.9° | 63.8° |
C19 | C20 | C21 | H7 | 157.2° | 55.4° |
C19 | C20 | H8 | H9 | 116.4° | 119.9° |
C20 | C19 | H10 | H11 | 118.2° | 119.9° |
C20 | C19 | C18 | H13 | 68.1° | 26.0° |
C20 | C19 | C18 | H14 | 173.4° | 93.7° |
C22 | C21 | C20 | H6 | 121.1° | 120.4° |
C22 | C21 | C20 | H7 | 121.1° | 120.4° |
C21 | C22 | H4 | H5 | 117.9° | 120.0° |
C22 | C21 | H6 | H7 | 116.6° | 119.2° |
C22 | C21 | C20 | H8 | 85.0° | 55.7° |
C22 | C21 | C20 | H9 | 157.3° | 64.2° |
C20 | C21 | C22 | H4 | 67.6° | 130.5° |
C20 | C21 | C22 | H5 | 173.8° | 10.6° |
C20 | C21 | H6 | H7 | 116.6° | 119.2° |
C21 | C20 | H8 | H9 | 116.4° | 119.9° |
C21 | C20 | C19 | H10 | 90.6° | 88.9° |
C21 | C20 | C19 | H11 | 28.2° | 31.0° |
H1 | C24 | C23 | H3 | 0.4° | 4.7° |
H4 | C22 | C21 | H6 | 53.5° | 10.1° |
H4 | C22 | C21 | H7 | 171.4° | 109.1° |
H5 | C22 | C21 | H6 | 65.2° | 109.8° |
H5 | C22 | C21 | H7 | 52.7° | 130.9° |
H6 | C21 | C20 | H8 | 153.9° | 176.1° |
H6 | C21 | C20 | H9 | 36.2° | 56.1° |
H7 | C21 | C20 | H8 | 36.1° | 64.7° |
H7 | C21 | C20 | H9 | 81.6° | 175.4° |
H8 | C20 | C19 | H10 | 148.2° | 151.1° |
H8 | C20 | C19 | H11 | 93.0° | 89.1° |
H9 | C20 | C19 | H10 | 30.5° | 31.1° |
H9 | C20 | C19 | H11 | 149.3° | 151.0° |
H10 | C19 | C18 | H13 | 52.5° | 146.1° |
H10 | C19 | C18 | H14 | 66.0° | 26.5° |
H11 | C19 | C18 | H13 | 171.4° | 94.0° |
H11 | C19 | C18 | H14 | 52.8° | 146.3° |
H12 | C28 | C29 | H48 | 0.8° | 3.6° |
H13 | C18 | C17 | H15 | 160.0° | 149.0° |
H13 | C18 | C17 | H16 | 41.6° | 90.8° |
H14 | C18 | C17 | H15 | 81.5° | 29.3° |
H14 | C18 | C17 | H16 | 160.1° | 149.6° |
H15 | C17 | C16 | H17 | 174.6° | 170.8° |
H15 | C17 | C16 | H18 | 55.4° | 69.3° |
H16 | C17 | C16 | H17 | 66.9° | 50.6° |
H16 | C17 | C16 | H18 | 173.9° | 170.5° |
H17 | C16 | C15 | H19 | 172.5° | 176.4° |
H17 | C16 | C15 | H20 | 68.7° | 63.8° |
H18 | C16 | C15 | H19 | 53.3° | 56.5° |
H18 | C16 | C15 | H20 | 172.1° | 176.3° |
H21 | C11 | C10 | H29 | 3.3° | 146.3° |
H22 | C11 | C10 | H29 | 144.3° | 1.6° |
H23 | C13 | C14 | H25 | 55.8° | 47.5° |
H23 | C13 | C14 | H26 | 63.8° | 166.1° |
H24 | C13 | C14 | H25 | 174.9° | 71.6° |
H24 | C13 | C14 | H26 | 55.3° | 47.0° |
H30 | C7 | C8 | H32 | 65.5° | 63.0° |
H30 | C7 | C6 | H33 | 179.4° | 175.1° |
H30 | C7 | C6 | H34 | 61.7° | 55.0° |
H31 | C7 | C8 | H32 | 175.7° | 177.1° |
H31 | C7 | C6 | H33 | 60.5° | 64.9° |
H31 | C7 | C6 | H34 | 179.4° | 175.1° |
H32 | C8 | N | H43 | 143.0° | 56.0° |
H33 | C6 | C5 | H41 | 173.5° | 180.0° |
H33 | C6 | C5 | H42 | 55.1° | 60.0° |
H34 | C6 | C5 | H41 | 67.6° | 60.0° |
H34 | C6 | C5 | H42 | 174.0° | 180.0° |
H35 | C4 | C3 | H37 | 157.9° | 60.0° |
H35 | C4 | C3 | H38 | 39.6° | 180.0° |
H35 | C4 | C5 | H41 | 175.9° | 60.0° |
H35 | C4 | C5 | H42 | 65.7° | 180.0° |
H36 | C4 | C3 | H37 | 82.9° | NaN° |
H36 | C4 | C3 | H38 | 158.8° | 60.0° |
H36 | C4 | C5 | H41 | 56.7° | 180.0° |
H36 | C4 | C5 | H42 | 175.0° | 60.0° |
H39 | C1 | C | H53 | 59.3° | 180.0° |
H39 | C1 | C | H54 | 179.3° | 60.0° |
H39 | C1 | C | H55 | 60.7° | 60.0° |
H40 | C1 | C | H53 | 59.3° | 60.0° |
H40 | C1 | C | H54 | 60.7° | 180.0° |
H40 | C1 | C | H55 | 179.3° | 60.0° |
H44 | C33 | C32 | H46 | 53.1° | 66.6° |
H44 | C33 | C32 | H47 | 172.6° | 52.8° |
H45 | C33 | C32 | H46 | 65.8° | 53.2° |
H45 | C33 | C32 | H47 | 53.8° | 172.6° |
H53 | C | H54 | H55 | 120.0° | 120.0° |