3LK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C11 | sing | 1.43Å | 1.43Å | |
C17 | C10 | sing | 1.53Å | 1.52Å | |
C20 | C19 | sing | 1.53Å | 1.27Å | |
C31 | C30 | sing | 1.53Å | 1.51Å | |
C19 | C12 | sing | 1.53Å | 1.51Å | |
C11 | C10 | sing | 1.53Å | 1.58Å | |
C11 | C12 | sing | 1.58Å | 1.56Å | |
C10 | C9 | sing | 1.54Å | 1.56Å | |
C32 | C30 | sing | 1.53Å | 1.51Å | |
C18 | C12 | sing | 1.53Å | 1.53Å | |
C30 | C29 | sing | 1.53Å | 1.55Å | |
C12 | C13 | sing | 1.47Å | 1.53Å | |
C1 | C9 | sing | 1.58Å | 1.54Å | |
C1 | C2 | sing | 1.52Å | 1.52Å | |
C9 | C8 | sing | 1.54Å | 1.53Å | |
C9 | C4 | sing | 1.48Å | 1.52Å | |
O4 | C21 | doub | 1.21Å | 1.20Å | |
C8 | C7 | sing | 1.52Å | 1.52Å | |
O5 | C28 | doub | 1.21Å | 1.22Å | |
C29 | C28 | sing | 1.51Å | 1.52Å | |
C29 | N2 | sing | 1.47Å | 1.49Å | |
C13 | C14 | sing | 1.52Å | 1.53Å | |
C7 | C6 | sing | 1.54Å | 1.53Å | |
C24 | C25 | sing | 1.53Å | 1.52Å | |
C24 | C23 | sing | 1.53Å | 1.52Å | |
C28 | N1 | sing | 1.35Å | 1.34Å | |
C14 | O3 | sing | 1.45Å | 1.45Å | |
C14 | C5 | sing | 1.56Å | 1.56Å | |
C21 | O3 | sing | 1.34Å | 1.32Å | |
C21 | C22 | sing | 1.51Å | 1.50Å | |
S | C23 | sing | 1.81Å | 1.81Å | |
S | C22 | sing | 1.81Å | 1.80Å | |
C2 | C3 | sing | 1.50Å | 1.51Å | |
C25 | C26 | sing | 1.53Å | 1.49Å | |
C4 | C5 | sing | 1.59Å | 1.56Å | |
C4 | C3 | sing | 1.52Å | 1.52Å | |
N1 | C26 | sing | 1.47Å | 1.46Å | |
N1 | C27 | sing | 1.47Å | 1.46Å | |
C23 | C27 | sing | 1.53Å | 1.53Å | |
C5 | C6 | sing | 1.54Å | 1.55Å | |
C5 | C15 | sing | 1.53Å | 1.54Å | |
C6 | C16 | sing | 1.53Å | 1.52Å | |
C3 | O1 | doub | 1.21Å | 1.21Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C14 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.09Å | 1.10Å | |
C11 | H4 | sing | 1.09Å | 1.10Å | |
C7 | H5 | sing | 1.09Å | 1.10Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C10 | H9 | sing | 1.09Å | 1.10Å | |
C13 | H10 | sing | 1.09Å | 1.10Å | |
C13 | H11 | sing | 1.09Å | 1.10Å | |
C29 | H12 | sing | 1.09Å | 1.10Å | |
C30 | H13 | sing | 1.09Å | 1.10Å | |
C31 | H14 | sing | 1.09Å | 1.10Å | |
C31 | H15 | sing | 1.09Å | 1.10Å | |
C31 | H16 | sing | 1.09Å | 1.10Å | |
C19 | H17 | sing | 1.09Å | 1.10Å | |
C20 | H18 | sing | 1.09Å | 1.10Å | |
C20 | H19 | sing | 1.09Å | 1.10Å | |
C18 | H20 | sing | 1.09Å | 1.10Å | |
C18 | H21 | sing | 1.09Å | 1.10Å | |
C18 | H22 | sing | 1.09Å | 1.10Å | |
C15 | H23 | sing | 1.09Å | 1.10Å | |
C15 | H24 | sing | 1.09Å | 1.10Å | |
C15 | H25 | sing | 1.09Å | 1.10Å | |
C16 | H26 | sing | 1.09Å | 1.10Å | |
C16 | H27 | sing | 1.09Å | 1.10Å | |
C16 | H28 | sing | 1.09Å | 1.10Å | |
C17 | H29 | sing | 1.09Å | 1.10Å | |
C17 | H30 | sing | 1.09Å | 1.10Å | |
C17 | H31 | sing | 1.09Å | 1.10Å | |
C26 | H32 | sing | 1.09Å | 1.10Å | |
C26 | H33 | sing | 1.09Å | 1.10Å | |
C27 | H34 | sing | 1.09Å | 1.10Å | |
C27 | H35 | sing | 1.09Å | 1.10Å | |
C24 | H36 | sing | 1.09Å | 1.10Å | |
C24 | H37 | sing | 1.09Å | 1.10Å | |
C25 | H38 | sing | 1.09Å | 1.10Å | |
C25 | H39 | sing | 1.09Å | 1.10Å | |
C23 | H40 | sing | 1.09Å | 1.10Å | |
C22 | H41 | sing | 1.09Å | 1.10Å | |
C22 | H42 | sing | 1.09Å | 1.10Å | |
O2 | H43 | sing | 0.97Å | 0.95Å | |
C1 | H44 | sing | 1.09Å | 1.10Å | |
C1 | H45 | sing | 1.09Å | 1.10Å | |
C2 | H46 | sing | 1.09Å | 1.10Å | |
C2 | H47 | sing | 1.09Å | 1.10Å | |
N2 | H48 | sing | 1.01Å | 1.00Å | |
N2 | H49 | sing | 1.01Å | 1.00Å | |
C32 | H51 | sing | 1.09Å | 1.10Å | |
C32 | H52 | sing | 1.09Å | 1.10Å | |
C32 | H53 | sing | 1.09Å | 1.10Å | |
C19 | H50 | sing | 1.09Å | 1.10Å | |
C20 | H54 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C11 | C10 | 112.2° | 111.7° |
O2 | C11 | C12 | 110.1° | 111.7° |
O2 | C11 | H4 | 106.9° | 111.3° |
C11 | O2 | H43 | 109.5° | 114.1° |
C17 | C10 | C11 | 112.2° | 109.3° |
C17 | C10 | C9 | 109.9° | 109.4° |
C17 | C10 | H9 | 107.6° | 109.0° |
C10 | C17 | H29 | 109.5° | 109.5° |
C10 | C17 | H30 | 109.5° | 109.5° |
C10 | C17 | H31 | 109.5° | 109.4° |
C20 | C19 | C12 | 126.1° | 109.5° |
C20 | C19 | H17 | 105.2° | 109.5° |
C19 | C20 | H18 | 109.5° | 109.5° |
C19 | C20 | H19 | 109.5° | 109.5° |
C20 | C19 | H50 | 105.1° | 109.5° |
C19 | C20 | H54 | 109.5° | 109.5° |
C31 | C30 | C32 | 110.8° | 109.4° |
C31 | C30 | C29 | 111.8° | 109.5° |
C31 | C30 | H13 | 107.5° | 109.5° |
C30 | C31 | H14 | 109.5° | 109.5° |
C30 | C31 | H15 | 109.4° | 109.5° |
C30 | C31 | H16 | 109.5° | 109.5° |
C19 | C12 | C11 | 112.9° | 110.8° |
C19 | C12 | C18 | 103.2° | 110.7° |
C19 | C12 | C13 | 112.3° | 110.8° |
C12 | C19 | H17 | 105.2° | 109.4° |
C12 | C19 | H50 | 105.2° | 109.5° |
C10 | C11 | C12 | 116.2° | 98.5° |
C11 | C10 | C9 | 112.7° | 110.4° |
C10 | C11 | H4 | 105.2° | 111.6° |
C11 | C10 | H9 | 107.0° | 109.3° |
C11 | C12 | C18 | 108.8° | 110.8° |
C11 | C12 | C13 | 112.5° | 102.6° |
C12 | C11 | H4 | 105.4° | 111.6° |
C10 | C9 | C1 | 110.6° | 105.5° |
C10 | C9 | C8 | 108.9° | 111.2° |
C10 | C9 | C4 | 117.8° | 121.1° |
C9 | C10 | H9 | 107.2° | 109.4° |
C32 | C30 | C29 | 111.8° | 109.5° |
C32 | C30 | H13 | 107.5° | 109.4° |
C30 | C32 | H51 | 109.5° | 109.4° |
C30 | C32 | H52 | 109.5° | 109.5° |
C30 | C32 | H53 | 109.4° | 109.4° |
C18 | C12 | C13 | 106.5° | 110.8° |
C12 | C18 | H20 | 109.5° | 109.5° |
C12 | C18 | H21 | 109.5° | 109.4° |
C12 | C18 | H22 | 109.5° | 109.5° |
C30 | C29 | C28 | 110.5° | 109.5° |
C30 | C29 | N2 | 111.8° | 109.5° |
C30 | C29 | H12 | 108.8° | 109.4° |
C29 | C30 | H13 | 107.1° | 109.5° |
C12 | C13 | C14 | 116.6° | 132.7° |
C12 | C13 | H10 | 107.6° | 104.5° |
C12 | C13 | H11 | 107.6° | 104.5° |
C9 | C1 | C2 | 105.8° | 102.0° |
C1 | C9 | C8 | 109.6° | 102.6° |
C1 | C9 | C4 | 101.7° | 97.9° |
C9 | C1 | H44 | 110.4° | 110.9° |
C9 | C1 | H45 | 110.4° | 111.0° |
C1 | C2 | C3 | 105.5° | 103.6° |
C2 | C1 | H44 | 110.4° | 110.9° |
C2 | C1 | H45 | 110.4° | 111.0° |
C1 | C2 | H46 | 110.4° | 110.6° |
C1 | C2 | H47 | 110.5° | 110.6° |
C8 | C9 | C4 | 108.0° | 115.2° |
C9 | C8 | C7 | 110.7° | 113.3° |
C9 | C8 | H7 | 109.1° | 108.7° |
C9 | C8 | H8 | 109.2° | 108.6° |
C9 | C4 | C5 | 117.7° | 105.9° |
C9 | C4 | C3 | 103.5° | 105.1° |
C9 | C4 | H1 | 106.1° | 112.4° |
O4 | C21 | O3 | 123.8° | 120.0° |
O4 | C21 | C22 | 125.2° | 120.0° |
C8 | C7 | C6 | 112.2° | 107.8° |
C8 | C7 | H5 | 108.8° | 109.8° |
C8 | C7 | H6 | 108.8° | 109.8° |
C7 | C8 | H7 | 109.2° | 108.7° |
C7 | C8 | H8 | 109.2° | 108.7° |
O5 | C28 | C29 | 115.2° | 120.0° |
O5 | C28 | N1 | 121.6° | 120.0° |
C28 | C29 | N2 | 106.9° | 109.5° |
C29 | C28 | N1 | 122.9° | 120.0° |
C28 | C29 | H12 | 109.2° | 109.5° |
N2 | C29 | H12 | 109.6° | 109.5° |
C29 | N2 | H48 | 109.5° | 111.0° |
C29 | N2 | H49 | 109.4° | 111.0° |
C13 | C14 | O3 | 108.0° | 110.4° |
C13 | C14 | C5 | 110.7° | 105.0° |
C13 | C14 | H2 | 108.1° | 110.4° |
C14 | C13 | H10 | 107.7° | 104.6° |
C14 | C13 | H11 | 107.7° | 104.5° |
C7 | C6 | C5 | 110.5° | 106.3° |
C7 | C6 | C16 | 109.9° | 110.1° |
C7 | C6 | H3 | 107.1° | 110.2° |
C6 | C7 | H5 | 108.8° | 109.8° |
C6 | C7 | H6 | 108.8° | 109.8° |
C25 | C24 | C23 | 110.4° | 109.6° |
C24 | C25 | C26 | 109.4° | 109.3° |
C25 | C24 | H36 | 109.2° | 109.5° |
C25 | C24 | H37 | 109.2° | 109.4° |
C24 | C25 | H38 | 109.5° | 109.5° |
C24 | C25 | H39 | 109.5° | 109.4° |
C24 | C23 | S | 105.5° | 109.5° |
C24 | C23 | C27 | 112.3° | 109.3° |
C23 | C24 | H36 | 109.2° | 109.5° |
C23 | C24 | H37 | 109.2° | 109.4° |
C24 | C23 | H40 | 110.2° | 109.5° |
C28 | N1 | C26 | 124.9° | 120.7° |
C28 | N1 | C27 | 123.9° | 120.6° |
O3 | C14 | C5 | 113.0° | 110.4° |
C14 | O3 | C21 | 115.6° | 117.1° |
O3 | C14 | H2 | 109.1° | 110.2° |
C14 | C5 | C4 | 108.6° | 100.1° |
C14 | C5 | C6 | 113.3° | 106.4° |
C14 | C5 | C15 | 102.7° | 113.3° |
C5 | C14 | H2 | 107.8° | 110.3° |
O3 | C21 | C22 | 111.1° | 120.0° |
C21 | C22 | S | 103.8° | 109.5° |
C21 | C22 | H41 | 110.9° | 109.4° |
C21 | C22 | H42 | 110.9° | 109.5° |
C23 | S | C22 | 96.7° | 103.0° |
S | C23 | C27 | 111.6° | 109.5° |
S | C23 | H40 | 106.9° | 109.5° |
S | C22 | H41 | 110.9° | 109.5° |
S | C22 | H42 | 110.9° | 109.5° |
C2 | C3 | C4 | 107.6° | 106.7° |
C2 | C3 | O1 | 125.4° | 126.7° |
C3 | C2 | H46 | 110.5° | 110.6° |
C3 | C2 | H47 | 110.4° | 110.6° |
C25 | C26 | N1 | 108.3° | 108.8° |
C25 | C26 | H32 | 109.8° | 109.6° |
C25 | C26 | H33 | 109.7° | 109.7° |
C26 | C25 | H38 | 109.5° | 109.5° |
C26 | C25 | H39 | 109.5° | 109.5° |
C5 | C4 | C3 | 116.7° | 110.0° |
C4 | C5 | C6 | 107.0° | 109.5° |
C4 | C5 | C15 | 113.6° | 113.2° |
C5 | C4 | H1 | 105.7° | 111.6° |
C4 | C3 | O1 | 127.0° | 126.6° |
C3 | C4 | H1 | 106.2° | 111.6° |
C26 | N1 | C27 | 111.2° | 118.7° |
N1 | C26 | H32 | 109.8° | 109.6° |
N1 | C26 | H33 | 109.8° | 109.5° |
N1 | C27 | C23 | 105.0° | 108.8° |
N1 | C27 | H34 | 110.6° | 109.6° |
N1 | C27 | H35 | 110.6° | 109.6° |
C23 | C27 | H34 | 110.5° | 109.6° |
C23 | C27 | H35 | 110.6° | 109.7° |
C27 | C23 | H40 | 110.1° | 109.5° |
C6 | C5 | C15 | 111.7° | 113.4° |
C5 | C6 | C16 | 115.0° | 110.1° |
C5 | C6 | H3 | 106.8° | 110.1° |
C5 | C15 | H23 | 109.5° | 109.5° |
C5 | C15 | H24 | 109.4° | 109.5° |
C5 | C15 | H25 | 109.5° | 109.4° |
C16 | C6 | H3 | 107.1° | 110.1° |
C6 | C16 | H26 | 109.5° | 109.5° |
C6 | C16 | H27 | 109.5° | 109.5° |
C6 | C16 | H28 | 109.5° | 109.5° |
H5 | C7 | H6 | 109.5° | 109.8° |
H7 | C8 | H8 | 109.4° | 108.7° |
H10 | C13 | H11 | 109.5° | 102.7° |
H14 | C31 | H15 | 109.4° | 109.4° |
H14 | C31 | H16 | 109.5° | 109.4° |
H15 | C31 | H16 | 109.5° | 109.5° |
H17 | C19 | H50 | 109.5° | 109.4° |
H18 | C20 | H19 | 109.5° | 109.5° |
H18 | C20 | H54 | 109.5° | 109.5° |
H19 | C20 | H54 | 109.5° | 109.5° |
H20 | C18 | H21 | 109.5° | 109.4° |
H20 | C18 | H22 | 109.4° | 109.4° |
H21 | C18 | H22 | 109.5° | 109.5° |
H23 | C15 | H24 | 109.5° | 109.5° |
H23 | C15 | H25 | 109.4° | 109.5° |
H24 | C15 | H25 | 109.5° | 109.5° |
H26 | C16 | H27 | 109.5° | 109.4° |
H26 | C16 | H28 | 109.5° | 109.5° |
H27 | C16 | H28 | 109.4° | 109.4° |
H29 | C17 | H30 | 109.5° | 109.6° |
H29 | C17 | H31 | 109.5° | 109.5° |
H30 | C17 | H31 | 109.4° | 109.4° |
H32 | C26 | H33 | 109.5° | 109.6° |
H34 | C27 | H35 | 109.5° | 109.6° |
H36 | C24 | H37 | 109.5° | 109.4° |
H38 | C25 | H39 | 109.5° | 109.6° |
H41 | C22 | H42 | 109.5° | 109.5° |
H44 | C1 | H45 | 109.5° | 110.8° |
H46 | C2 | H47 | 109.5° | 110.6° |
H48 | N2 | H49 | 109.5° | 111.1° |
H51 | C32 | H52 | 109.5° | 109.5° |
H51 | C32 | H53 | 109.5° | 109.5° |
H52 | C32 | H53 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C11 | C10 | C17 | 10.6° | 14.9° |
O2 | C11 | C12 | C19 | 63.6° | 58.1° |
O2 | C11 | C10 | C12 | 128.0° | 117.4° |
O2 | C11 | C10 | H4 | 115.8° | 125.3° |
O2 | C11 | C12 | H4 | 114.9° | 125.3° |
O2 | C11 | C10 | C9 | 135.3° | 135.2° |
O2 | C11 | C12 | C18 | 50.3° | 65.2° |
O2 | C11 | C12 | C13 | 168.0° | 176.5° |
O2 | C11 | C10 | H9 | 107.2° | 104.4° |
C17 | C10 | C11 | C9 | 124.6° | 120.3° |
C17 | C10 | C11 | H9 | 117.8° | 119.3° |
C17 | C10 | C11 | C12 | 138.7° | 132.3° |
C17 | C10 | C9 | H9 | 116.7° | 119.3° |
C17 | C10 | C9 | C1 | 54.6° | 50.0° |
C17 | C10 | C9 | C8 | 65.8° | 60.5° |
C17 | C10 | C9 | C4 | 170.9° | 159.5° |
C17 | C10 | C11 | H4 | 105.2° | 110.4° |
C10 | C17 | H29 | H30 | 120.0° | 120.0° |
C10 | C17 | H29 | H31 | 120.0° | 119.9° |
C10 | C17 | H30 | H31 | 120.0° | 119.9° |
C20 | C19 | C12 | H17 | 122.2° | 120.0° |
C20 | C19 | C12 | H50 | 122.2° | 120.1° |
C20 | C19 | C12 | C11 | 106.2° | 173.6° |
C20 | C19 | C12 | C18 | 11.1° | 50.3° |
C20 | C19 | C12 | C13 | 125.4° | 73.2° |
C20 | C19 | H17 | H50 | 112.5° | 120.0° |
C19 | C20 | H18 | H19 | 120.0° | 120.0° |
C19 | C20 | H18 | H54 | 120.0° | 120.0° |
C19 | C20 | H19 | H54 | 120.0° | 120.0° |
C31 | C30 | C32 | C29 | 125.5° | 120.0° |
C31 | C30 | C32 | H13 | 117.2° | 120.0° |
C31 | C30 | C29 | H13 | 117.5° | 120.0° |
C31 | C30 | C29 | C28 | 73.2° | 54.4° |
C31 | C30 | C29 | N2 | 167.9° | 174.4° |
C31 | C30 | C29 | H12 | 46.6° | 65.6° |
C30 | C31 | H14 | H15 | 120.0° | 120.0° |
C30 | C31 | H14 | H16 | 120.0° | 120.0° |
C30 | C31 | H15 | H16 | 120.0° | 120.0° |
C31 | C30 | C32 | H51 | 180.0° | 180.0° |
C31 | C30 | C32 | H52 | 60.0° | 60.0° |
C31 | C30 | C32 | H53 | 60.0° | 60.0° |
C19 | C12 | C11 | C10 | 65.4° | 59.3° |
C19 | C12 | C11 | C18 | 113.9° | 123.3° |
C19 | C12 | C11 | C13 | 128.4° | 118.4° |
C19 | C12 | C18 | C13 | 118.4° | 123.4° |
C19 | C12 | C13 | C14 | 54.2° | 43.7° |
C19 | C12 | C11 | H4 | 178.6° | 176.6° |
C19 | C12 | C13 | H10 | 66.8° | 170.0° |
C19 | C12 | C13 | H11 | 175.3° | 82.5° |
C12 | C19 | H17 | H50 | 112.6° | 120.0° |
C12 | C19 | C20 | H18 | 180.0° | 60.0° |
C12 | C19 | C20 | H19 | 60.0° | 60.0° |
C19 | C12 | C18 | H20 | 180.0° | 176.6° |
C19 | C12 | C18 | H21 | 60.0° | 56.7° |
C19 | C12 | C18 | H22 | 60.0° | 63.4° |
C12 | C19 | C20 | H54 | 60.0° | 180.0° |
C10 | C11 | C12 | H4 | 116.0° | 117.3° |
C11 | C10 | C9 | H9 | 117.4° | 120.4° |
C10 | C11 | C12 | C18 | 179.3° | 177.4° |
C10 | C11 | C12 | C13 | 63.0° | 59.0° |
C11 | C10 | C9 | C1 | 71.3° | 70.3° |
C11 | C10 | C9 | C8 | 168.3° | 179.2° |
C11 | C10 | C9 | C4 | 45.0° | 39.2° |
C11 | C10 | C17 | H29 | 180.0° | 59.9° |
C11 | C10 | C17 | H30 | 60.0° | 180.0° |
C11 | C10 | C17 | H31 | 60.0° | 60.0° |
C10 | C11 | O2 | H43 | 180.0° | 59.9° |
C12 | C11 | C10 | C9 | 96.7° | 107.3° |
C11 | C12 | C18 | C13 | 121.5° | 113.3° |
C11 | C12 | C13 | C14 | 74.5° | 74.6° |
C12 | C11 | C10 | H9 | 20.8° | 13.0° |
C11 | C12 | C13 | H10 | 164.5° | 51.7° |
C11 | C12 | C13 | H11 | 46.6° | 159.2° |
C11 | C12 | C19 | H17 | 16.1° | 66.4° |
C11 | C12 | C18 | H20 | 59.8° | 60.0° |
C11 | C12 | C18 | H21 | 179.9° | 180.0° |
C11 | C12 | C18 | H22 | 60.1° | 59.9° |
C12 | C11 | O2 | H43 | 48.9° | 169.1° |
C11 | C12 | C19 | H50 | 131.6° | 53.5° |
C10 | C9 | C1 | C8 | 120.1° | 116.5° |
C10 | C9 | C1 | C4 | 125.9° | 125.4° |
C10 | C9 | C1 | C2 | 162.3° | 174.0° |
C10 | C9 | C8 | C4 | 129.0° | 142.5° |
C10 | C9 | C8 | C7 | 74.7° | 90.5° |
C10 | C9 | C4 | C5 | 69.5° | 86.2° |
C10 | C9 | C4 | C3 | 160.1° | 157.3° |
C10 | C9 | C4 | H1 | 48.5° | 35.8° |
C9 | C10 | C11 | H4 | 19.4° | 10.0° |
C10 | C9 | C8 | H7 | 165.1° | 30.5° |
C10 | C9 | C8 | H8 | 45.5° | 148.6° |
C9 | C10 | C17 | H29 | 53.9° | 179.1° |
C9 | C10 | C17 | H30 | 66.2° | 59.0° |
C9 | C10 | C17 | H31 | 173.9° | 60.9° |
C10 | C9 | C1 | H44 | 43.0° | 55.8° |
C10 | C9 | C1 | H45 | 78.2° | 67.8° |
C32 | C30 | C29 | H13 | 117.6° | 120.0° |
C32 | C30 | C29 | C28 | 161.9° | 174.4° |
C32 | C30 | C29 | N2 | 42.9° | 65.6° |
C32 | C30 | C29 | H12 | 78.3° | 54.4° |
C32 | C30 | C31 | H14 | 180.0° | 57.9° |
C32 | C30 | C31 | H15 | 60.0° | 62.1° |
C32 | C30 | C31 | H16 | 60.0° | 177.8° |
C30 | C32 | H51 | H52 | 120.0° | 120.0° |
C30 | C32 | H51 | H53 | 120.0° | 120.0° |
C30 | C32 | H52 | H53 | 120.0° | 120.0° |
C18 | C12 | C13 | C14 | 166.5° | 167.1° |
C18 | C12 | C11 | H4 | 64.7° | 60.1° |
C18 | C12 | C13 | H10 | 45.4° | 66.7° |
C18 | C12 | C13 | H11 | 72.5° | 40.9° |
C18 | C12 | C19 | H17 | 133.3° | 170.2° |
C12 | C18 | H20 | H21 | 120.0° | 120.0° |
C12 | C18 | H20 | H22 | 120.0° | 120.0° |
C12 | C18 | H21 | H22 | 120.0° | 120.0° |
C18 | C12 | C19 | H50 | 111.1° | 69.8° |
C30 | C29 | C28 | O5 | 28.6° | 82.3° |
C30 | C29 | C28 | N2 | 121.8° | 120.0° |
C30 | C29 | C28 | H12 | 119.6° | 119.9° |
C30 | C29 | N2 | H12 | 120.8° | 120.0° |
C30 | C29 | C28 | N1 | 145.4° | 97.7° |
C29 | C30 | C31 | H14 | 54.5° | 62.2° |
C29 | C30 | C31 | H15 | 65.5° | 177.9° |
C29 | C30 | C31 | H16 | 174.5° | 57.8° |
C30 | C29 | N2 | H48 | 180.0° | 60.1° |
C30 | C29 | N2 | H49 | 60.0° | 64.0° |
C29 | C30 | C32 | H51 | 54.5° | 60.0° |
C29 | C30 | C32 | H52 | 174.5° | 180.0° |
C29 | C30 | C32 | H53 | 65.5° | 60.0° |
C12 | C13 | C14 | H10 | 121.0° | 126.2° |
C12 | C13 | C14 | H11 | 121.0° | 126.2° |
C12 | C13 | C14 | O3 | 119.7° | 108.8° |
C12 | C13 | C14 | C5 | 116.2° | 132.2° |
C12 | C13 | C14 | H2 | 1.7° | 13.2° |
C13 | C12 | C11 | H4 | 53.0° | 58.3° |
C12 | C13 | H10 | H11 | 116.7° | 108.9° |
C13 | C12 | C19 | H17 | 112.4° | 46.8° |
C13 | C12 | C18 | H20 | 61.6° | 53.2° |
C13 | C12 | C18 | H21 | 58.4° | 66.7° |
C13 | C12 | C18 | H22 | 178.4° | 173.2° |
C13 | C12 | C19 | H50 | 3.2° | 166.8° |
C9 | C1 | C2 | H44 | 119.4° | 118.1° |
C9 | C1 | C2 | H45 | 119.4° | 118.2° |
C1 | C9 | C8 | C4 | 109.9° | 105.1° |
C1 | C9 | C8 | C7 | 164.2° | 157.2° |
C9 | C1 | C2 | C3 | 19.4° | 34.4° |
C1 | C9 | C4 | C5 | 169.5° | 160.3° |
C1 | C9 | C4 | C3 | 39.1° | 43.8° |
C1 | C9 | C4 | H1 | 72.4° | 77.7° |
C1 | C9 | C8 | H7 | 44.0° | 81.9° |
C1 | C9 | C8 | H8 | 75.6° | 36.3° |
C1 | C9 | C10 | H9 | 171.3° | 169.3° |
C9 | C1 | H44 | H45 | 121.7° | 123.7° |
C9 | C1 | C2 | H46 | 138.8° | 84.1° |
C9 | C1 | C2 | H47 | 99.9° | 153.0° |
C2 | C1 | C9 | C8 | 77.6° | 69.5° |
C2 | C1 | C9 | C4 | 36.5° | 48.6° |
C1 | C2 | C3 | H46 | 119.4° | 118.5° |
C1 | C2 | C3 | H47 | 119.4° | 118.6° |
C1 | C2 | C3 | C4 | 5.5° | 7.7° |
C1 | C2 | C3 | O1 | 174.5° | 172.3° |
C2 | C1 | H44 | H45 | 121.7° | 123.7° |
C1 | C2 | H46 | H47 | 121.9° | 122.9° |
C9 | C8 | C7 | H7 | 120.2° | 121.0° |
C9 | C8 | C7 | H8 | 120.2° | 120.9° |
C9 | C8 | C7 | C6 | 60.4° | 54.7° |
C8 | C9 | C4 | C5 | 54.2° | 52.3° |
C8 | C9 | C4 | C3 | 76.2° | 64.1° |
C8 | C9 | C4 | H1 | 172.3° | 174.4° |
C9 | C8 | C7 | H5 | 179.1° | 64.8° |
C9 | C8 | C7 | H6 | 60.0° | 174.4° |
C9 | C8 | H7 | H8 | 119.4° | 118.1° |
C8 | C9 | C10 | H9 | 50.9° | 58.8° |
C8 | C9 | C1 | H44 | 163.0° | 172.3° |
C8 | C9 | C1 | H45 | 41.9° | 48.7° |
C4 | C9 | C8 | C7 | 54.3° | 52.1° |
C9 | C4 | C5 | C14 | 69.1° | 49.7° |
C9 | C4 | C3 | C2 | 28.3° | 24.2° |
C9 | C4 | C5 | C3 | 124.0° | 113.1° |
C9 | C4 | C5 | H1 | 118.3° | 122.5° |
C9 | C4 | C3 | H1 | 111.5° | 122.0° |
C9 | C4 | C5 | C6 | 53.5° | 61.9° |
C9 | C4 | C5 | C15 | 177.2° | 170.6° |
C9 | C4 | C3 | O1 | 151.7° | 155.8° |
C4 | C9 | C8 | H7 | 66.0° | 173.1° |
C4 | C9 | C8 | H8 | 174.5° | 68.8° |
C4 | C9 | C10 | H9 | 72.4° | 81.2° |
C4 | C9 | C1 | H44 | 82.9° | 69.6° |
C4 | C9 | C1 | H45 | 155.9° | 166.8° |
O4 | C21 | O3 | C14 | 4.3° | 0.0° |
O4 | C21 | O3 | C22 | 179.3° | 179.9° |
O4 | C21 | C22 | S | 22.8° | 0.1° |
O4 | C21 | C22 | H41 | 96.3° | 120.1° |
O4 | C21 | C22 | H42 | 141.9° | 119.9° |
C8 | C7 | C6 | H5 | 120.4° | 119.6° |
C8 | C7 | C6 | H6 | 120.4° | 119.6° |
C8 | C7 | C6 | C5 | 60.1° | 63.2° |
C8 | C7 | C6 | C16 | 171.9° | 177.6° |
C8 | C7 | C6 | H3 | 55.9° | 56.1° |
C8 | C7 | H5 | H6 | 118.7° | 120.8° |
C7 | C8 | H7 | H8 | 119.4° | 118.1° |
O5 | C28 | C29 | N1 | 174.0° | 180.0° |
O5 | C28 | C29 | N2 | 93.2° | 37.7° |
O5 | C28 | N1 | C26 | 5.3° | 174.1° |
O5 | C28 | N1 | C27 | 178.7° | 5.6° |
O5 | C28 | C29 | H12 | 148.2° | 157.8° |
C28 | C29 | N2 | H12 | 118.2° | 120.1° |
C29 | C28 | N1 | C26 | 168.3° | 5.9° |
C29 | C28 | N1 | C27 | 7.7° | 174.4° |
C28 | C29 | C30 | H13 | 44.3° | 65.6° |
C28 | C29 | N2 | H48 | 59.0° | 59.9° |
C28 | C29 | N2 | H49 | 61.0° | 176.0° |
N2 | C29 | C28 | N1 | 92.8° | 142.3° |
N2 | C29 | C30 | H13 | 74.6° | 54.4° |
C29 | N2 | H48 | H49 | 120.0° | 124.0° |
C13 | C14 | O3 | C5 | 122.8° | 115.6° |
C13 | C14 | O3 | H2 | 117.3° | 122.2° |
C13 | C14 | C5 | H2 | 118.1° | 119.0° |
C13 | C14 | O3 | C21 | 101.1° | 94.4° |
C13 | C14 | C5 | C4 | 43.2° | 52.7° |
C13 | C14 | C5 | C6 | 161.9° | 166.6° |
C13 | C14 | C5 | C15 | 77.4° | 68.1° |
C14 | C13 | H10 | H11 | 116.8° | 108.9° |
C7 | C6 | C5 | C14 | 66.6° | 38.6° |
C7 | C6 | C5 | C4 | 53.1° | 68.8° |
C7 | C6 | C5 | C16 | 125.1° | 119.2° |
C7 | C6 | C5 | H3 | 116.2° | 119.3° |
C7 | C6 | C5 | C15 | 177.9° | 163.8° |
C7 | C6 | C16 | H3 | 116.0° | 121.6° |
C6 | C7 | H5 | H6 | 118.7° | 120.9° |
C6 | C7 | C8 | H7 | 59.7° | 175.7° |
C6 | C7 | C8 | H8 | 179.3° | 66.1° |
C7 | C6 | C16 | H26 | 180.0° | 176.9° |
C7 | C6 | C16 | H27 | 60.0° | 63.1° |
C7 | C6 | C16 | H28 | 60.0° | 56.8° |
C25 | C24 | C23 | H36 | 120.1° | 120.1° |
C25 | C24 | C23 | H37 | 120.1° | 120.0° |
C25 | C24 | C23 | S | 179.1° | 178.7° |
C24 | C25 | C26 | H38 | 120.0° | 119.9° |
C24 | C25 | C26 | H39 | 120.0° | 119.9° |
C24 | C25 | C26 | N1 | 16.6° | 54.6° |
C25 | C24 | C23 | C27 | 59.2° | 61.4° |
C24 | C25 | C26 | H32 | 103.2° | 65.2° |
C24 | C25 | C26 | H33 | 136.4° | 174.5° |
C25 | C24 | H36 | H37 | 119.6° | 119.9° |
C24 | C25 | H38 | H39 | 120.1° | 120.0° |
C25 | C24 | C23 | H40 | 64.0° | 58.6° |
C24 | C23 | S | C27 | 122.2° | 119.8° |
C24 | C23 | S | H40 | 117.3° | 120.1° |
C24 | C23 | S | C22 | 137.7° | 65.0° |
C23 | C24 | C25 | C26 | 44.4° | 61.4° |
C24 | C23 | C27 | N1 | 7.2° | 54.6° |
C24 | C23 | C27 | H40 | 123.2° | 120.0° |
C24 | C23 | C27 | H34 | 126.5° | 174.4° |
C24 | C23 | C27 | H35 | 112.1° | 65.3° |
C23 | C24 | H36 | H37 | 119.5° | 119.9° |
C23 | C24 | C25 | H38 | 75.6° | 178.7° |
C23 | C24 | C25 | H39 | 164.4° | 58.5° |
C28 | N1 | C26 | C25 | 101.7° | 126.1° |
C28 | N1 | C26 | C27 | 176.5° | 179.8° |
C28 | N1 | C27 | C23 | 117.9° | 126.1° |
N1 | C28 | C29 | H12 | 25.8° | 22.2° |
C28 | N1 | C26 | H32 | 138.4° | 114.1° |
C28 | N1 | C26 | H33 | 18.1° | 6.2° |
C28 | N1 | C27 | H34 | 122.8° | 6.4° |
C28 | N1 | C27 | H35 | 1.4° | 114.0° |
O3 | C14 | C5 | H2 | 120.7° | 122.0° |
C14 | O3 | C21 | C22 | 176.5° | 180.0° |
O3 | C14 | C5 | C4 | 164.5° | 171.6° |
O3 | C14 | C5 | C6 | 76.8° | 74.4° |
O3 | C14 | C5 | C15 | 43.9° | 50.9° |
O3 | C14 | C13 | H10 | 1.3° | 124.9° |
O3 | C14 | C13 | H11 | 119.3° | 17.3° |
C5 | C14 | O3 | C21 | 136.1° | 150.0° |
C14 | C5 | C4 | C6 | 122.7° | 111.5° |
C14 | C5 | C4 | C15 | 113.6° | 120.9° |
C14 | C5 | C4 | C3 | 166.9° | 162.7° |
C14 | C5 | C6 | C15 | 115.5° | 125.2° |
C14 | C5 | C6 | C16 | 58.6° | 80.6° |
C14 | C5 | C4 | H1 | 49.1° | 72.9° |
C14 | C5 | C6 | H3 | 177.2° | 157.9° |
C5 | C14 | C13 | H10 | 122.8° | 5.9° |
C5 | C14 | C13 | H11 | 4.9° | 101.7° |
C14 | C5 | C15 | H23 | 180.0° | 173.0° |
C14 | C5 | C15 | H24 | 60.0° | 66.9° |
C14 | C5 | C15 | H25 | 60.0° | 53.1° |
O3 | C21 | C22 | S | 156.4° | 180.0° |
C21 | O3 | C14 | H2 | 16.2° | 27.8° |
O3 | C21 | C22 | H41 | 84.5° | 60.0° |
O3 | C21 | C22 | H42 | 37.3° | 60.0° |
C21 | C22 | S | C23 | 165.3° | 180.0° |
C21 | C22 | S | H41 | 119.1° | 120.0° |
C21 | C22 | S | H42 | 119.1° | 120.0° |
C21 | C22 | H41 | H42 | 122.6° | 120.0° |
S | C23 | C27 | N1 | 125.4° | 174.6° |
S | C23 | C27 | H40 | 118.6° | 120.1° |
S | C23 | C27 | H34 | 115.3° | 65.6° |
S | C23 | C27 | H35 | 6.1° | 54.7° |
S | C23 | C24 | H36 | 60.7° | 61.3° |
S | C23 | C24 | H37 | 59.0° | 58.7° |
C23 | S | C22 | H41 | 46.2° | 60.0° |
C23 | S | C22 | H42 | 75.6° | 60.0° |
C22 | S | C23 | C27 | 15.5° | 175.2° |
C22 | S | C23 | H40 | 105.0° | 55.1° |
S | C22 | H41 | H42 | 122.7° | 120.0° |
C2 | C3 | C4 | C5 | 159.3° | 137.8° |
C2 | C3 | C4 | O1 | 180.0° | 180.0° |
C2 | C3 | C4 | H1 | 83.2° | 97.8° |
C3 | C2 | C1 | H44 | 100.0° | 83.7° |
C3 | C2 | C1 | H45 | 138.8° | 152.6° |
C3 | C2 | H46 | H47 | 121.8° | 122.9° |
C25 | C26 | N1 | H32 | 119.8° | 119.8° |
C25 | C26 | N1 | H33 | 119.8° | 119.9° |
C25 | C26 | N1 | C27 | 74.7° | 53.6° |
C25 | C26 | H32 | H33 | 120.5° | 120.4° |
C26 | C25 | C24 | H36 | 75.7° | 58.7° |
C26 | C25 | C24 | H37 | 164.5° | 178.6° |
C26 | C25 | H38 | H39 | 120.0° | 120.2° |
C5 | C4 | C3 | H1 | 117.5° | 124.4° |
C4 | C5 | C6 | C15 | 124.8° | 127.5° |
C4 | C5 | C6 | C16 | 178.2° | 172.1° |
C5 | C4 | C3 | O1 | 20.7° | 42.2° |
C4 | C5 | C14 | H2 | 74.9° | 66.3° |
C4 | C5 | C6 | H3 | 63.1° | 50.5° |
C4 | C5 | C15 | H23 | 62.9° | 60.0° |
C4 | C5 | C15 | H24 | 177.1° | 180.0° |
C4 | C5 | C15 | H25 | 57.1° | 60.0° |
C3 | C4 | C5 | C6 | 70.5° | 51.2° |
C3 | C4 | C5 | C15 | 53.3° | 76.4° |
C4 | C3 | C2 | H46 | 113.9° | 110.8° |
C4 | C3 | C2 | H47 | 124.8° | 126.3° |
C26 | N1 | C27 | C23 | 58.6° | 53.6° |
N1 | C26 | H32 | H33 | 120.5° | 120.2° |
C26 | N1 | C27 | H34 | 60.7° | 173.4° |
C26 | N1 | C27 | H35 | 177.9° | 66.3° |
N1 | C26 | C25 | H38 | 136.6° | 174.6° |
N1 | C26 | C25 | H39 | 103.4° | 65.2° |
N1 | C27 | C23 | H34 | 119.3° | 119.8° |
N1 | C27 | C23 | H35 | 119.3° | 119.9° |
C27 | N1 | C26 | H32 | 45.1° | 66.2° |
C27 | N1 | C26 | H33 | 165.5° | 173.6° |
N1 | C27 | H34 | H35 | 122.1° | 120.4° |
N1 | C27 | C23 | H40 | 116.0° | 65.3° |
C23 | C27 | H34 | H35 | 122.0° | 120.4° |
C27 | C23 | C24 | H36 | 61.0° | 58.7° |
C27 | C23 | C24 | H37 | 179.3° | 178.6° |
C5 | C6 | C16 | H3 | 118.5° | 121.5° |
C6 | C5 | C4 | H1 | 171.8° | 175.6° |
C6 | C5 | C14 | H2 | 43.8° | 47.6° |
C5 | C6 | C7 | H5 | 179.5° | 56.4° |
C5 | C6 | C7 | H6 | 60.4° | 177.2° |
C6 | C5 | C15 | H23 | 58.2° | 65.6° |
C6 | C5 | C15 | H24 | 61.8° | 54.4° |
C6 | C5 | C15 | H25 | 178.2° | 174.5° |
C5 | C6 | C16 | H26 | 54.5° | 60.0° |
C5 | C6 | C16 | H27 | 174.5° | 180.0° |
C5 | C6 | C16 | H28 | 65.5° | 60.0° |
C15 | C5 | C6 | C16 | 56.9° | 44.6° |
C15 | C5 | C4 | H1 | 64.5° | 48.0° |
C15 | C5 | C14 | H2 | 164.6° | 172.9° |
C15 | C5 | C6 | H3 | 61.8° | 76.9° |
C5 | C15 | H23 | H24 | 120.0° | 120.0° |
C5 | C15 | H23 | H25 | 120.0° | 119.9° |
C5 | C15 | H24 | H25 | 120.0° | 119.9° |
C16 | C6 | C7 | H5 | 51.5° | 62.8° |
C16 | C6 | C7 | H6 | 67.6° | 58.0° |
C6 | C16 | H26 | H27 | 120.0° | 120.0° |
C6 | C16 | H26 | H28 | 120.0° | 120.0° |
C6 | C16 | H27 | H28 | 120.0° | 120.0° |
O1 | C3 | C4 | H1 | 96.9° | 82.2° |
O1 | C3 | C2 | H46 | 66.1° | 69.2° |
O1 | C3 | C2 | H47 | 55.1° | 53.7° |
H2 | C14 | C13 | H10 | 119.3° | 113.0° |
H2 | C14 | C13 | H11 | 122.7° | 139.4° |
H3 | C6 | C7 | H5 | 64.5° | 175.6° |
H3 | C6 | C7 | H6 | 176.3° | 63.5° |
H3 | C6 | C16 | H26 | 64.0° | 61.5° |
H3 | C6 | C16 | H27 | 56.0° | 58.5° |
H3 | C6 | C16 | H28 | 176.0° | 178.5° |
H4 | C11 | C10 | H9 | 137.0° | 130.4° |
H4 | C11 | O2 | H43 | 65.2° | 65.5° |
H5 | C7 | C8 | H7 | 60.7° | 56.2° |
H5 | C7 | C8 | H8 | 58.9° | 174.3° |
H6 | C7 | C8 | H7 | 179.8° | 64.6° |
H6 | C7 | C8 | H8 | 60.2° | 53.5° |
H9 | C10 | C17 | H29 | 62.6° | 59.5° |
H9 | C10 | C17 | H30 | 177.4° | 60.6° |
H9 | C10 | C17 | H31 | 57.5° | 179.5° |
H12 | C29 | C30 | H13 | 164.1° | 174.4° |
H12 | C29 | N2 | H48 | 59.2° | 180.0° |
H12 | C29 | N2 | H49 | 179.2° | 56.0° |
H13 | C30 | C31 | H14 | 62.8° | 177.8° |
H13 | C30 | C31 | H15 | 177.3° | 57.8° |
H13 | C30 | C31 | H16 | 57.2° | 62.2° |
H13 | C30 | C32 | H51 | 62.8° | 60.0° |
H13 | C30 | C32 | H52 | 57.2° | 60.0° |
H13 | C30 | C32 | H53 | 177.2° | 180.0° |
H14 | C31 | H15 | H16 | 120.0° | 119.9° |
H17 | C19 | C20 | H18 | 57.8° | 180.0° |
H17 | C19 | C20 | H19 | 62.2° | 59.9° |
H17 | C19 | C20 | H54 | 177.8° | 60.0° |
H18 | C20 | H19 | H54 | 120.0° | 120.0° |
H18 | C20 | C19 | H50 | 57.8° | 60.0° |
H19 | C20 | C19 | H50 | 177.8° | 179.9° |
H20 | C18 | H21 | H22 | 120.0° | 120.0° |
H23 | C15 | H24 | H25 | 120.0° | 120.0° |
H26 | C16 | H27 | H28 | 120.0° | 119.9° |
H29 | C17 | H30 | H31 | 120.0° | 120.1° |
H32 | C26 | C25 | H38 | 16.8° | 54.7° |
H32 | C26 | C25 | H39 | 136.8° | 174.9° |
H33 | C26 | C25 | H38 | 103.6° | 65.6° |
H33 | C26 | C25 | H39 | 16.4° | 54.6° |
H34 | C27 | C23 | H40 | 3.3° | 54.5° |
H35 | C27 | C23 | H40 | 124.7° | 174.8° |
H36 | C24 | C25 | H38 | 164.3° | 61.3° |
H36 | C24 | C25 | H39 | 44.2° | 178.6° |
H36 | C24 | C23 | H40 | 175.9° | 178.6° |
H37 | C24 | C25 | H38 | 44.5° | 58.7° |
H37 | C24 | C25 | H39 | 75.5° | 61.5° |
H37 | C24 | C23 | H40 | 56.1° | 61.4° |
H44 | C1 | C2 | H46 | 19.4° | 157.7° |
H44 | C1 | C2 | H47 | 140.7° | 34.8° |
H45 | C1 | C2 | H46 | 101.8° | 34.1° |
H45 | C1 | C2 | H47 | 19.5° | 88.8° |
H51 | C32 | H52 | H53 | 120.0° | 120.0° |
H50 | C19 | C20 | H54 | 62.2° | 60.0° |