ZGO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O44 | C27 | doub | 1.21Å | 1.23Å | |
C16 | C17 | sing | 1.53Å | 1.53Å | |
C16 | C15 | sing | 1.53Å | 1.53Å | |
C27 | N37 | sing | 1.35Å | 1.35Å | |
C27 | C31 | sing | 1.51Å | 1.53Å | |
C17 | C18 | sing | 1.53Å | 1.54Å | |
N37 | C25 | sing | 1.47Å | 1.46Å | |
C26 | C31 | sing | 1.53Å | 1.53Å | |
C26 | C1 | sing | 1.53Å | 1.54Å | |
C15 | C14 | sing | 1.53Å | 1.53Å | |
C31 | C24 | sing | 1.55Å | 1.54Å | |
C18 | C13 | sing | 1.53Å | 1.55Å | |
N38 | C9 | trip | 1.14Å | 1.16Å | |
C9 | C1 | sing | 1.47Å | 1.47Å | |
C1 | N36 | sing | 1.46Å | 1.45Å | |
N36 | C32 | sing | 1.35Å | 1.35Å | |
C25 | C24 | sing | 1.54Å | 1.54Å | |
O40 | C5 | doub | 1.21Å | 1.25Å | |
C14 | C13 | sing | 1.53Å | 1.55Å | |
C12 | C10 | sing | 1.53Å | 1.52Å | |
N35 | C13 | sing | 1.47Å | 1.47Å | |
N35 | C8 | sing | 1.35Å | 1.37Å | |
C13 | C19 | sing | 1.53Å | 1.55Å | |
C33 | C32 | sing | 1.51Å | 1.54Å | |
C33 | C4 | sing | 1.54Å | 1.53Å | |
C33 | N39 | sing | 1.48Å | 1.47Å | |
C32 | O45 | doub | 1.21Å | 1.23Å | |
C5 | N39 | sing | 1.35Å | 1.35Å | |
C5 | C6 | sing | 1.51Å | 1.54Å | |
N34 | C8 | sing | 1.35Å | 1.37Å | |
N34 | C6 | sing | 1.47Å | 1.45Å | |
C30 | C7 | sing | 1.53Å | 1.54Å | |
C10 | C4 | sing | 1.53Å | 1.52Å | |
C10 | C11 | sing | 1.53Å | 1.52Å | |
C10 | C3 | sing | 1.53Å | 1.51Å | |
C4 | C3 | sing | 1.54Å | 1.51Å | |
C8 | O41 | doub | 1.22Å | 1.25Å | |
N39 | C2 | sing | 1.48Å | 1.48Å | |
O43 | S46 | doub | 1.42Å | 1.49Å | |
C6 | C7 | sing | 1.53Å | 1.57Å | |
C19 | S46 | sing | 1.81Å | 1.82Å | |
O42 | S46 | doub | 1.42Å | 1.49Å | |
S46 | C20 | sing | 1.81Å | 1.87Å | |
C7 | C29 | sing | 1.53Å | 1.54Å | |
C7 | C28 | sing | 1.53Å | 1.54Å | |
C3 | C2 | sing | 1.54Å | 1.51Å | |
C20 | C21 | sing | 1.53Å | 1.53Å | |
C20 | C22 | sing | 1.53Å | 1.53Å | |
C20 | C23 | sing | 1.53Å | 1.53Å | |
C11 | H1 | sing | 1.09Å | 1.10Å | |
C11 | H2 | sing | 1.09Å | 1.10Å | |
C11 | H3 | sing | 1.09Å | 1.10Å | |
C12 | H4 | sing | 1.09Å | 1.10Å | |
C12 | H5 | sing | 1.09Å | 1.10Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C14 | H7 | sing | 1.09Å | 1.10Å | |
C14 | H8 | sing | 1.09Å | 1.10Å | |
C15 | H9 | sing | 1.09Å | 1.10Å | |
C15 | H10 | sing | 1.09Å | 1.10Å | |
C16 | H11 | sing | 1.09Å | 1.10Å | |
C16 | H12 | sing | 1.09Å | 1.10Å | |
C18 | H13 | sing | 1.09Å | 1.10Å | |
C18 | H14 | sing | 1.09Å | 1.10Å | |
C21 | H15 | sing | 1.09Å | 1.10Å | |
C21 | H16 | sing | 1.09Å | 1.10Å | |
C21 | H17 | sing | 1.09Å | 1.10Å | |
C22 | H18 | sing | 1.09Å | 1.10Å | |
C22 | H19 | sing | 1.09Å | 1.10Å | |
C22 | H20 | sing | 1.09Å | 1.10Å | |
C23 | H21 | sing | 1.09Å | 1.10Å | |
C23 | H22 | sing | 1.09Å | 1.10Å | |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C24 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H26 | sing | 1.09Å | 1.10Å | |
C25 | H27 | sing | 1.09Å | 1.10Å | |
C26 | H28 | sing | 1.09Å | 1.10Å | |
C26 | H29 | sing | 1.09Å | 1.10Å | |
C30 | H30 | sing | 1.09Å | 1.10Å | |
C30 | H31 | sing | 1.09Å | 1.10Å | |
C30 | H32 | sing | 1.09Å | 1.10Å | |
C31 | H33 | sing | 1.09Å | 1.10Å | |
C33 | H34 | sing | 1.09Å | 1.10Å | |
C1 | H35 | sing | 1.09Å | 1.10Å | |
C17 | H36 | sing | 1.09Å | 1.10Å | |
C17 | H37 | sing | 1.09Å | 1.10Å | |
C19 | H38 | sing | 1.09Å | 1.10Å | |
C19 | H39 | sing | 1.09Å | 1.10Å | |
C2 | H40 | sing | 1.09Å | 1.10Å | |
C2 | H41 | sing | 1.09Å | 1.10Å | |
C28 | H42 | sing | 1.09Å | 1.10Å | |
C28 | H43 | sing | 1.09Å | 1.10Å | |
C28 | H44 | sing | 1.09Å | 1.10Å | |
C29 | H45 | sing | 1.09Å | 1.10Å | |
C29 | H46 | sing | 1.09Å | 1.10Å | |
C29 | H47 | sing | 1.09Å | 1.10Å | |
C3 | H48 | sing | 1.09Å | 1.10Å | |
C4 | H49 | sing | 1.09Å | 1.10Å | |
C6 | H50 | sing | 1.09Å | 1.10Å | |
N34 | H51 | sing | 0.97Å | 1.00Å | |
N35 | H52 | sing | 0.97Å | 1.00Å | |
N36 | H53 | sing | 0.97Å | 1.00Å | |
N37 | H54 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O44 | C27 | N37 | 126.1° | 125.0° |
O44 | C27 | C31 | 125.9° | 125.0° |
C17 | C16 | C15 | 110.9° | 109.5° |
C16 | C17 | C18 | 111.6° | 109.4° |
C17 | C16 | H11 | 109.1° | 109.5° |
C17 | C16 | H12 | 109.1° | 109.5° |
C16 | C17 | H36 | 109.0° | 109.5° |
C16 | C17 | H37 | 108.9° | 109.5° |
C16 | C15 | C14 | 111.3° | 109.4° |
C16 | C15 | H9 | 109.0° | 109.5° |
C16 | C15 | H10 | 109.0° | 109.5° |
C15 | C16 | H11 | 109.1° | 109.5° |
C15 | C16 | H12 | 109.1° | 109.5° |
N37 | C27 | C31 | 108.1° | 110.1° |
C27 | N37 | C25 | 113.7° | 111.3° |
C27 | N37 | H54 | 123.1° | 124.3° |
C27 | C31 | C26 | 111.8° | 110.4° |
C27 | C31 | C24 | 104.1° | 104.1° |
C27 | C31 | H33 | 108.1° | 110.6° |
C17 | C18 | C13 | 113.4° | 109.5° |
C17 | C18 | H13 | 108.5° | 109.4° |
C17 | C18 | H14 | 108.5° | 109.5° |
C18 | C17 | H36 | 108.9° | 109.5° |
C18 | C17 | H37 | 108.9° | 109.5° |
N37 | C25 | C24 | 102.1° | 105.5° |
N37 | C25 | H26 | 111.3° | 110.2° |
N37 | C25 | H27 | 111.3° | 110.3° |
C25 | N37 | H54 | 123.2° | 124.4° |
C31 | C26 | C1 | 112.0° | 109.4° |
C26 | C31 | C24 | 116.6° | 110.5° |
C31 | C26 | H28 | 108.9° | 109.6° |
C31 | C26 | H29 | 108.8° | 109.5° |
C26 | C31 | H33 | 108.1° | 110.5° |
C26 | C1 | C9 | 111.0° | 109.5° |
C26 | C1 | N36 | 113.6° | 109.5° |
C1 | C26 | H28 | 108.8° | 109.5° |
C1 | C26 | H29 | 108.8° | 109.4° |
C26 | C1 | H35 | 106.4° | 109.4° |
C15 | C14 | C13 | 112.9° | 109.5° |
C15 | C14 | H7 | 108.6° | 109.5° |
C15 | C14 | H8 | 108.6° | 109.4° |
C14 | C15 | H9 | 109.0° | 109.5° |
C14 | C15 | H10 | 109.0° | 109.4° |
C31 | C24 | C25 | 104.5° | 101.8° |
C31 | C24 | H24 | 110.7° | 110.9° |
C31 | C24 | H25 | 110.7° | 111.0° |
C24 | C31 | H33 | 107.9° | 110.5° |
C18 | C13 | C14 | 108.8° | 109.5° |
C18 | C13 | N35 | 107.3° | 109.4° |
C18 | C13 | C19 | 111.4° | 109.5° |
C13 | C18 | H13 | 108.5° | 109.5° |
C13 | C18 | H14 | 108.5° | 109.4° |
N38 | C9 | C1 | 178.8° | 179.9° |
C9 | C1 | N36 | 110.8° | 109.4° |
C9 | C1 | H35 | 107.2° | 109.5° |
C1 | N36 | C32 | 121.3° | 120.0° |
N36 | C1 | H35 | 107.4° | 109.5° |
C1 | N36 | H53 | 119.3° | 120.0° |
N36 | C32 | C33 | 115.2° | 120.0° |
N36 | C32 | O45 | 122.8° | 120.0° |
C32 | N36 | H53 | 119.4° | 120.0° |
C25 | C24 | H24 | 110.7° | 111.0° |
C25 | C24 | H25 | 110.7° | 111.0° |
C24 | C25 | H26 | 111.3° | 110.2° |
C24 | C25 | H27 | 111.3° | 110.2° |
O40 | C5 | N39 | 121.1° | 120.0° |
O40 | C5 | C6 | 120.5° | 120.0° |
C14 | C13 | N35 | 110.9° | 109.5° |
C14 | C13 | C19 | 105.9° | 109.5° |
C13 | C14 | H7 | 108.6° | 109.5° |
C13 | C14 | H8 | 108.6° | 109.5° |
C12 | C10 | C4 | 122.5° | 117.4° |
C12 | C10 | C11 | 112.8° | 115.5° |
C12 | C10 | C3 | 121.8° | 117.4° |
C10 | C12 | H4 | 109.5° | 109.5° |
C10 | C12 | H5 | 109.5° | 109.5° |
C10 | C12 | H6 | 109.5° | 109.5° |
C13 | N35 | C8 | 125.4° | 120.0° |
N35 | C13 | C19 | 112.5° | 109.5° |
C13 | N35 | H52 | 117.3° | 120.1° |
N35 | C8 | N34 | 114.6° | 120.0° |
N35 | C8 | O41 | 124.1° | 120.0° |
C8 | N35 | H52 | 117.3° | 120.0° |
C13 | C19 | S46 | 116.9° | 109.5° |
C13 | C19 | H38 | 107.6° | 109.5° |
C13 | C19 | H39 | 107.6° | 109.5° |
C32 | C33 | C4 | 108.3° | 110.4° |
C32 | C33 | N39 | 109.7° | 110.4° |
C33 | C32 | O45 | 121.9° | 120.0° |
C32 | C33 | H34 | 110.9° | 110.3° |
C4 | C33 | N39 | 104.8° | 104.6° |
C33 | C4 | C10 | 120.2° | 118.1° |
C33 | C4 | C3 | 108.1° | 104.9° |
C4 | C33 | H34 | 111.0° | 110.4° |
C33 | C4 | H49 | 117.9° | 117.6° |
C33 | N39 | C5 | 119.7° | 127.8° |
C33 | N39 | C2 | 113.5° | 104.3° |
N39 | C33 | H34 | 111.9° | 110.5° |
N39 | C5 | C6 | 118.3° | 120.0° |
C5 | N39 | C2 | 126.7° | 127.9° |
C5 | C6 | N34 | 108.1° | 109.4° |
C5 | C6 | C7 | 115.9° | 109.5° |
C5 | C6 | H50 | 105.9° | 109.5° |
C8 | N34 | C6 | 120.8° | 120.0° |
N34 | C8 | O41 | 121.3° | 120.0° |
C8 | N34 | H51 | 119.6° | 120.0° |
N34 | C6 | C7 | 113.9° | 109.5° |
N34 | C6 | H50 | 106.8° | 109.4° |
C6 | N34 | H51 | 119.6° | 120.0° |
C30 | C7 | C6 | 108.3° | 109.5° |
C30 | C7 | C29 | 109.0° | 109.4° |
C30 | C7 | C28 | 108.9° | 109.5° |
C7 | C30 | H30 | 109.5° | 109.5° |
C7 | C30 | H31 | 109.4° | 109.5° |
C7 | C30 | H32 | 109.5° | 109.5° |
C4 | C10 | C11 | 115.1° | 117.5° |
C4 | C10 | C3 | 59.8° | 60.5° |
C10 | C4 | C3 | 59.9° | 59.7° |
C10 | C4 | H49 | 118.0° | 119.5° |
C11 | C10 | C3 | 115.1° | 117.5° |
C10 | C11 | H1 | 109.5° | 109.5° |
C10 | C11 | H2 | 109.4° | 109.5° |
C10 | C11 | H3 | 109.5° | 109.5° |
C10 | C3 | C4 | 60.3° | 59.7° |
C10 | C3 | C2 | 119.0° | 118.1° |
C10 | C3 | H48 | 118.3° | 119.5° |
C4 | C3 | C2 | 108.6° | 104.9° |
C4 | C3 | H48 | 118.3° | 123.1° |
C3 | C4 | H49 | 118.2° | 123.1° |
N39 | C2 | C3 | 104.9° | 104.7° |
N39 | C2 | H40 | 110.6° | 110.4° |
N39 | C2 | H41 | 110.6° | 110.5° |
O43 | S46 | C19 | 109.8° | 108.6° |
O43 | S46 | O42 | 116.6° | 119.2° |
O43 | S46 | C20 | 107.7° | 108.5° |
C6 | C7 | C29 | 109.3° | 109.5° |
C6 | C7 | C28 | 112.1° | 109.5° |
C7 | C6 | H50 | 105.6° | 109.5° |
C19 | S46 | O42 | 108.3° | 108.6° |
C19 | S46 | C20 | 105.9° | 102.0° |
S46 | C19 | H38 | 107.6° | 109.5° |
S46 | C19 | H39 | 107.6° | 109.5° |
O42 | S46 | C20 | 108.0° | 108.6° |
S46 | C20 | C21 | 108.6° | 109.5° |
S46 | C20 | C22 | 108.9° | 109.4° |
S46 | C20 | C23 | 104.9° | 109.5° |
C29 | C7 | C28 | 109.2° | 109.5° |
C7 | C29 | H45 | 109.5° | 109.5° |
C7 | C29 | H46 | 109.5° | 109.5° |
C7 | C29 | H47 | 109.5° | 109.5° |
C7 | C28 | H42 | 109.5° | 109.4° |
C7 | C28 | H43 | 109.5° | 109.5° |
C7 | C28 | H44 | 109.5° | 109.5° |
C3 | C2 | H40 | 110.6° | 110.4° |
C3 | C2 | H41 | 110.6° | 110.4° |
C2 | C3 | H48 | 118.2° | 117.7° |
C21 | C20 | C22 | 112.0° | 109.5° |
C21 | C20 | C23 | 111.3° | 109.5° |
C20 | C21 | H15 | 109.5° | 109.5° |
C20 | C21 | H16 | 109.5° | 109.5° |
C20 | C21 | H17 | 109.5° | 109.4° |
C22 | C20 | C23 | 110.9° | 109.5° |
C20 | C22 | H18 | 109.5° | 109.5° |
C20 | C22 | H19 | 109.5° | 109.5° |
C20 | C22 | H20 | 109.5° | 109.5° |
C20 | C23 | H21 | 109.5° | 109.5° |
C20 | C23 | H22 | 109.4° | 109.4° |
C20 | C23 | H23 | 109.5° | 109.5° |
H1 | C11 | H2 | 109.4° | 109.5° |
H1 | C11 | H3 | 109.5° | 109.4° |
H2 | C11 | H3 | 109.5° | 109.5° |
H4 | C12 | H5 | 109.5° | 109.4° |
H4 | C12 | H6 | 109.5° | 109.4° |
H5 | C12 | H6 | 109.5° | 109.4° |
H7 | C14 | H8 | 109.5° | 109.4° |
H9 | C15 | H10 | 109.5° | 109.5° |
H11 | C16 | H12 | 109.4° | 109.4° |
H13 | C18 | H14 | 109.5° | 109.5° |
H15 | C21 | H16 | 109.5° | 109.5° |
H15 | C21 | H17 | 109.4° | 109.5° |
H16 | C21 | H17 | 109.5° | 109.5° |
H18 | C22 | H19 | 109.5° | 109.5° |
H18 | C22 | H20 | 109.4° | 109.5° |
H19 | C22 | H20 | 109.5° | 109.5° |
H21 | C23 | H22 | 109.5° | 109.5° |
H21 | C23 | H23 | 109.4° | 109.5° |
H22 | C23 | H23 | 109.5° | 109.5° |
H24 | C24 | H25 | 109.5° | 110.8° |
H26 | C25 | H27 | 109.5° | 110.2° |
H28 | C26 | H29 | 109.4° | 109.4° |
H30 | C30 | H31 | 109.5° | 109.4° |
H30 | C30 | H32 | 109.4° | 109.5° |
H31 | C30 | H32 | 109.5° | 109.5° |
H36 | C17 | H37 | 109.5° | 109.5° |
H38 | C19 | H39 | 109.5° | 109.4° |
H40 | C2 | H41 | 109.4° | 110.3° |
H42 | C28 | H43 | 109.5° | 109.4° |
H42 | C28 | H44 | 109.4° | 109.5° |
H43 | C28 | H44 | 109.5° | 109.5° |
H45 | C29 | H46 | 109.5° | 109.5° |
H45 | C29 | H47 | 109.4° | 109.5° |
H46 | C29 | H47 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O44 | C27 | N37 | C31 | 178.5° | 179.9° |
O44 | C27 | N37 | C25 | 163.7° | 179.5° |
O44 | C27 | C31 | C26 | 51.1° | 45.2° |
O44 | C27 | C31 | C24 | 177.8° | 163.8° |
O44 | C27 | C31 | H33 | 67.7° | 77.4° |
O44 | C27 | N37 | H54 | 16.3° | 0.5° |
C17 | C16 | C15 | H11 | 120.2° | 120.1° |
C17 | C16 | C15 | H12 | 120.2° | 120.0° |
C16 | C17 | C18 | H36 | 120.3° | 120.0° |
C16 | C17 | C18 | H37 | 120.3° | 120.0° |
C17 | C16 | C15 | C14 | 55.8° | 60.0° |
C16 | C17 | C18 | C13 | 54.7° | 60.0° |
C17 | C16 | C15 | H9 | 64.5° | 180.0° |
C17 | C16 | C15 | H10 | 176.1° | 59.9° |
C17 | C16 | H11 | H12 | 119.3° | 120.0° |
C16 | C17 | C18 | H13 | 65.9° | 180.0° |
C16 | C17 | C18 | H14 | 175.3° | 60.0° |
C16 | C17 | H36 | H37 | 119.0° | 120.0° |
C15 | C16 | C17 | C18 | 54.8° | 60.0° |
C16 | C15 | C14 | H9 | 120.3° | 120.0° |
C16 | C15 | C14 | H10 | 120.3° | 120.0° |
C16 | C15 | C14 | C13 | 56.4° | 60.0° |
C16 | C15 | C14 | H7 | 177.0° | 60.1° |
C16 | C15 | C14 | H8 | 64.1° | 180.0° |
C16 | C15 | H9 | H10 | 119.2° | 120.1° |
C15 | C16 | H11 | H12 | 119.3° | 120.0° |
C15 | C16 | C17 | H36 | 175.1° | 180.0° |
C15 | C16 | C17 | H37 | 65.6° | 60.0° |
C27 | N37 | C25 | H54 | 180.0° | 180.0° |
N37 | C27 | C31 | C26 | 130.3° | 134.9° |
N37 | C27 | C31 | C24 | 3.7° | 16.2° |
C27 | N37 | C25 | C24 | 26.6° | 17.0° |
C27 | N37 | C25 | H26 | 92.2° | 136.0° |
C27 | N37 | C25 | H27 | 145.4° | 102.0° |
N37 | C27 | C31 | H33 | 110.9° | 102.5° |
C31 | C27 | N37 | C25 | 14.8° | 0.4° |
C27 | C31 | C26 | C24 | 119.5° | 114.7° |
C27 | C31 | C26 | H33 | 118.8° | 122.7° |
C27 | C31 | C26 | C1 | 177.2° | 179.4° |
C27 | C31 | C24 | H33 | 114.7° | 118.8° |
C27 | C31 | C24 | C25 | 19.0° | 24.8° |
C27 | C31 | C24 | H24 | 100.2° | 143.0° |
C27 | C31 | C24 | H25 | 138.2° | 93.4° |
C27 | C31 | C26 | H28 | 56.8° | 60.5° |
C27 | C31 | C26 | H29 | 62.4° | 59.5° |
C31 | C27 | N37 | H54 | 165.2° | 179.6° |
C17 | C18 | C13 | H13 | 120.6° | 120.0° |
C17 | C18 | C13 | H14 | 120.6° | 120.0° |
C17 | C18 | C13 | C14 | 52.8° | 60.0° |
C17 | C18 | C13 | N35 | 67.2° | 60.0° |
C17 | C18 | C13 | C19 | 169.2° | 180.0° |
C18 | C17 | C16 | H11 | 175.0° | 60.0° |
C18 | C17 | C16 | H12 | 65.5° | 179.9° |
C17 | C18 | H13 | H14 | 118.2° | 120.0° |
C18 | C17 | H36 | H37 | 119.0° | 120.0° |
N37 | C25 | C24 | C31 | 26.5° | 25.5° |
N37 | C25 | C24 | H26 | 118.8° | 119.0° |
N37 | C25 | C24 | H27 | 118.8° | 119.1° |
N37 | C25 | C24 | H24 | 92.7° | 143.6° |
N37 | C25 | C24 | H25 | 145.8° | 92.7° |
N37 | C25 | H26 | H27 | 123.4° | 122.0° |
C31 | C26 | C1 | H28 | 120.4° | 120.1° |
C31 | C26 | C1 | H29 | 120.4° | 120.0° |
C26 | C31 | C24 | H33 | 121.8° | 122.6° |
C31 | C26 | C1 | C9 | 150.7° | 175.7° |
C31 | C26 | C1 | N36 | 83.7° | 64.3° |
C26 | C31 | C24 | C25 | 142.6° | 143.4° |
C26 | C31 | C24 | H24 | 23.4° | 98.4° |
C26 | C31 | C24 | H25 | 98.2° | 25.2° |
C31 | C26 | H28 | H29 | 118.8° | 120.0° |
C31 | C26 | C1 | H35 | 34.4° | 55.8° |
C1 | C26 | C31 | C24 | 57.7° | 65.9° |
C26 | C1 | C9 | N38 | 131.1° | 100.7° |
C26 | C1 | C9 | N36 | 127.2° | 120.0° |
C26 | C1 | C9 | H35 | 115.9° | 120.0° |
C26 | C1 | N36 | H35 | 117.5° | 120.0° |
C26 | C1 | N36 | C32 | 128.6° | 158.2° |
C1 | C26 | H28 | H29 | 118.8° | 119.9° |
C1 | C26 | C31 | H33 | 63.9° | 56.8° |
C26 | C1 | N36 | H53 | 51.4° | 21.8° |
C15 | C14 | C13 | C18 | 53.7° | 60.0° |
C15 | C14 | C13 | H7 | 120.5° | 120.0° |
C15 | C14 | C13 | H8 | 120.5° | 120.0° |
C15 | C14 | C13 | N35 | 64.0° | 59.9° |
C15 | C14 | C13 | C19 | 173.6° | 180.0° |
C15 | C14 | H7 | H8 | 118.4° | 119.9° |
C14 | C15 | H9 | H10 | 119.2° | 120.0° |
C14 | C15 | C16 | H11 | 176.0° | 60.1° |
C14 | C15 | C16 | H12 | 64.4° | 180.0° |
C31 | C24 | C25 | H24 | 119.2° | 118.1° |
C31 | C24 | C25 | H25 | 119.2° | 118.2° |
C31 | C24 | H24 | H25 | 122.3° | 123.7° |
C31 | C24 | C25 | H26 | 92.3° | 144.4° |
C31 | C24 | C25 | H27 | 145.3° | 93.7° |
C24 | C31 | C26 | H28 | 62.7° | 54.2° |
C24 | C31 | C26 | H29 | 178.1° | 174.2° |
C18 | C13 | C14 | N35 | 117.7° | 119.9° |
C18 | C13 | C14 | C19 | 119.9° | 120.0° |
C18 | C13 | N35 | C19 | 122.9° | 120.0° |
C18 | C13 | N35 | C8 | 179.6° | 178.2° |
C18 | C13 | C19 | S46 | 52.2° | 60.0° |
C18 | C13 | C14 | H7 | 174.2° | 60.0° |
C18 | C13 | C14 | H8 | 66.8° | 180.0° |
C13 | C18 | H13 | H14 | 118.2° | 120.0° |
C13 | C18 | C17 | H36 | 175.1° | 180.0° |
C13 | C18 | C17 | H37 | 65.6° | 60.0° |
C18 | C13 | C19 | H38 | 173.3° | 180.0° |
C18 | C13 | C19 | H39 | 68.8° | 60.0° |
C18 | C13 | N35 | H52 | 0.4° | 1.8° |
N38 | C9 | C1 | N36 | 101.7° | 139.2° |
N38 | C9 | C1 | H35 | 15.2° | 19.2° |
C9 | C1 | N36 | H35 | 116.8° | 120.0° |
C9 | C1 | N36 | C32 | 105.7° | 81.8° |
C9 | C1 | C26 | H28 | 30.3° | 55.7° |
C9 | C1 | C26 | H29 | 88.9° | 64.3° |
C9 | C1 | N36 | H53 | 74.3° | 98.2° |
C1 | N36 | C32 | H53 | 180.0° | 180.0° |
C1 | N36 | C32 | C33 | 158.1° | 180.0° |
C1 | N36 | C32 | O45 | 19.8° | 0.0° |
N36 | C1 | C26 | H28 | 155.9° | 175.7° |
N36 | C1 | C26 | H29 | 36.7° | 55.7° |
N36 | C32 | C33 | O45 | 177.9° | 180.0° |
N36 | C32 | C33 | C4 | 118.1° | 80.0° |
N36 | C32 | C33 | N39 | 128.0° | 164.8° |
N36 | C32 | C33 | H34 | 3.9° | 42.4° |
C32 | N36 | C1 | H35 | 11.1° | 38.2° |
C25 | C24 | H24 | H25 | 122.3° | 123.8° |
C24 | C25 | H26 | H27 | 123.4° | 121.9° |
C25 | C24 | C31 | H33 | 95.7° | 94.0° |
C24 | C25 | N37 | H54 | 153.4° | 163.0° |
O40 | C5 | N39 | C33 | 4.7° | 4.7° |
O40 | C5 | N39 | C6 | 177.1° | 180.0° |
O40 | C5 | C6 | N34 | 71.1° | 28.2° |
O40 | C5 | N39 | C2 | 179.5° | 175.3° |
O40 | C5 | C6 | C7 | 58.0° | 91.8° |
O40 | C5 | C6 | H50 | 174.7° | 148.2° |
C14 | C13 | N35 | C19 | 118.5° | 120.0° |
C14 | C13 | N35 | C8 | 60.9° | 58.3° |
C14 | C13 | C19 | S46 | 170.4° | 180.0° |
C13 | C14 | H7 | H8 | 118.4° | 120.0° |
C13 | C14 | C15 | H9 | 63.9° | 180.0° |
C13 | C14 | C15 | H10 | 176.7° | 60.0° |
C14 | C13 | C18 | H13 | 67.8° | 180.0° |
C14 | C13 | C18 | H14 | 173.4° | 60.0° |
C14 | C13 | C19 | H38 | 68.5° | 60.0° |
C14 | C13 | C19 | H39 | 49.3° | 60.0° |
C14 | C13 | N35 | H52 | 119.1° | 121.7° |
C12 | C10 | C4 | C33 | 16.1° | 16.0° |
C12 | C10 | C4 | C11 | 143.7° | 144.8° |
C12 | C10 | C4 | C3 | 110.7° | 107.6° |
C12 | C10 | C11 | C3 | 146.0° | 145.3° |
C12 | C10 | C3 | C2 | 15.8° | 16.1° |
C12 | C10 | C11 | H1 | 180.0° | 85.5° |
C12 | C10 | C11 | H2 | 60.0° | 34.6° |
C12 | C10 | C11 | H3 | 60.0° | 154.6° |
C10 | C12 | H4 | H5 | 120.0° | 120.0° |
C10 | C12 | H4 | H6 | 120.0° | 120.1° |
C10 | C12 | H5 | H6 | 120.0° | 120.1° |
C12 | C10 | C3 | H48 | 140.0° | 139.0° |
C12 | C10 | C4 | H49 | 141.3° | 139.0° |
C13 | N35 | C8 | H52 | 180.0° | 180.0° |
C13 | N35 | C8 | N34 | 172.2° | 175.7° |
C13 | N35 | C8 | O41 | 8.3° | 4.3° |
N35 | C13 | C19 | S46 | 68.3° | 60.0° |
N35 | C13 | C14 | H7 | 56.5° | 180.0° |
N35 | C13 | C14 | H8 | 175.5° | 60.0° |
N35 | C13 | C18 | H13 | 172.2° | 60.0° |
N35 | C13 | C18 | H14 | 53.4° | 179.9° |
N35 | C13 | C19 | H38 | 52.8° | 60.0° |
N35 | C13 | C19 | H39 | 170.6° | 180.0° |
C8 | N35 | C13 | C19 | 57.5° | 61.8° |
N35 | C8 | N34 | O41 | 179.5° | 179.9° |
N35 | C8 | N34 | C6 | 178.0° | 175.3° |
N35 | C8 | N34 | H51 | 2.0° | 4.6° |
C13 | C19 | S46 | O43 | 85.0° | 65.5° |
C13 | C19 | S46 | H38 | 121.1° | 120.0° |
C13 | C19 | S46 | H39 | 121.1° | 120.0° |
C13 | C19 | S46 | O42 | 43.3° | 65.5° |
C13 | C19 | S46 | C20 | 159.0° | 180.0° |
C19 | C13 | C14 | H7 | 65.9° | 60.0° |
C19 | C13 | C14 | H8 | 53.1° | 60.0° |
C19 | C13 | C18 | H13 | 48.7° | 60.0° |
C19 | C13 | C18 | H14 | 70.2° | 60.0° |
C13 | C19 | H38 | H39 | 116.6° | 120.0° |
C19 | C13 | N35 | H52 | 122.5° | 118.2° |
C32 | C33 | C4 | N39 | 117.0° | 118.8° |
C32 | C33 | C4 | H34 | 122.0° | 122.3° |
C32 | C33 | N39 | H34 | 123.5° | 122.3° |
C32 | C33 | N39 | C5 | 64.4° | 100.8° |
C32 | C33 | C4 | C10 | 178.8° | 158.2° |
C32 | C33 | C4 | C3 | 113.6° | 94.9° |
C32 | C33 | N39 | C2 | 111.8° | 79.2° |
C32 | C33 | C4 | H49 | 23.7° | 46.2° |
C33 | C32 | N36 | H53 | 21.9° | 0.0° |
C4 | C33 | N39 | H34 | 120.4° | 118.9° |
C4 | C33 | C32 | O45 | 64.0° | 100.0° |
C4 | C33 | N39 | C5 | 179.5° | 140.4° |
C33 | C4 | C10 | C3 | 94.5° | 91.5° |
C33 | C4 | C10 | H49 | 157.4° | 155.1° |
C33 | C4 | C10 | C11 | 159.9° | 160.8° |
C33 | C4 | C3 | H49 | 137.2° | 138.4° |
C4 | C33 | N39 | C2 | 4.2° | 39.6° |
C33 | C4 | C3 | C2 | 1.6° | 0.0° |
C33 | C4 | C3 | H48 | 136.8° | 138.4° |
N39 | C33 | C32 | O45 | 49.8° | 15.2° |
C33 | N39 | C5 | C2 | 175.8° | 180.0° |
C33 | N39 | C5 | C6 | 178.3° | 175.3° |
N39 | C33 | C4 | C10 | 61.8° | 39.5° |
N39 | C33 | C4 | C3 | 3.4° | 23.9° |
C33 | N39 | C2 | C3 | 3.3° | 39.6° |
C33 | N39 | C2 | H40 | 122.6° | 79.3° |
C33 | N39 | C2 | H41 | 116.0° | 158.4° |
N39 | C33 | C4 | H49 | 140.7° | 165.0° |
O45 | C32 | C33 | H34 | 173.9° | 137.7° |
O45 | C32 | N36 | H53 | 160.2° | 180.0° |
N39 | C5 | C6 | N34 | 105.9° | 151.7° |
N39 | C5 | C6 | C7 | 124.9° | 88.3° |
C5 | N39 | C2 | C3 | 179.3° | 140.4° |
C5 | N39 | C33 | H34 | 59.1° | 21.6° |
C5 | N39 | C2 | H40 | 61.4° | 100.7° |
C5 | N39 | C2 | H41 | 60.0° | 21.6° |
N39 | C5 | C6 | H50 | 8.2° | 31.8° |
C5 | C6 | N34 | C8 | 107.2° | 147.0° |
C5 | C6 | N34 | C7 | 130.3° | 120.0° |
C5 | C6 | N34 | H50 | 113.6° | 120.0° |
C5 | C6 | C7 | C30 | 76.6° | 62.6° |
C6 | C5 | N39 | C2 | 2.5° | 4.7° |
C5 | C6 | C7 | H50 | 116.8° | 120.0° |
C5 | C6 | C7 | C29 | 42.0° | 177.4° |
C5 | C6 | C7 | C28 | 163.3° | 57.4° |
C5 | C6 | N34 | H51 | 72.8° | 33.1° |
C8 | N34 | C6 | H51 | 180.0° | 179.9° |
C8 | N34 | C6 | C7 | 122.5° | 93.1° |
C8 | N34 | C6 | H50 | 6.4° | 27.0° |
N34 | C8 | N35 | H52 | 7.8° | 4.3° |
N34 | C6 | C7 | C30 | 49.7° | 177.4° |
C6 | N34 | C8 | O41 | 2.5° | 4.8° |
N34 | C6 | C7 | H50 | 116.9° | 120.0° |
N34 | C6 | C7 | C29 | 168.4° | 57.4° |
N34 | C6 | C7 | C28 | 70.4° | 62.6° |
C30 | C7 | C6 | C29 | 118.7° | 120.0° |
C30 | C7 | C6 | C28 | 120.1° | 120.0° |
C30 | C7 | C29 | C28 | 118.9° | 120.0° |
C7 | C30 | H30 | H31 | 120.0° | 120.0° |
C7 | C30 | H30 | H32 | 120.0° | 120.1° |
C7 | C30 | H31 | H32 | 120.0° | 120.0° |
C30 | C7 | C28 | H42 | 180.0° | 60.0° |
C30 | C7 | C28 | H43 | 60.0° | 179.9° |
C30 | C7 | C28 | H44 | 60.0° | 60.0° |
C30 | C7 | C29 | H45 | 180.0° | 65.3° |
C30 | C7 | C29 | H46 | 60.0° | 174.7° |
C30 | C7 | C29 | H47 | 60.0° | 54.8° |
C30 | C7 | C6 | H50 | 166.6° | 57.4° |
C4 | C10 | C11 | C3 | 66.8° | 69.2° |
C10 | C4 | C3 | H49 | 107.8° | 107.5° |
C4 | C10 | C3 | C2 | 95.9° | 91.5° |
C4 | C10 | C11 | H1 | 32.8° | 60.0° |
C4 | C10 | C11 | H2 | 87.2° | 180.0° |
C4 | C10 | C11 | H3 | 152.8° | 60.0° |
C4 | C10 | C12 | H4 | 180.0° | 60.0° |
C4 | C10 | C12 | H5 | 60.0° | 180.0° |
C4 | C10 | C12 | H6 | 60.0° | 60.0° |
C10 | C4 | C33 | H34 | 59.2° | 79.5° |
C4 | C10 | C3 | H48 | 108.2° | 113.3° |
C11 | C10 | C3 | C2 | 158.5° | 160.8° |
C10 | C11 | H1 | H2 | 120.0° | 120.0° |
C10 | C11 | H1 | H3 | 120.0° | 120.0° |
C10 | C11 | H2 | H3 | 120.0° | 120.0° |
C11 | C10 | C12 | H4 | 35.5° | 154.6° |
C11 | C10 | C12 | H5 | 84.5° | 34.6° |
C11 | C10 | C12 | H6 | 155.5° | 85.4° |
C11 | C10 | C3 | H48 | 2.6° | 5.7° |
C11 | C10 | C4 | H49 | 2.4° | 5.7° |
C10 | C3 | C2 | N39 | 64.7° | 39.4° |
C10 | C3 | C2 | H48 | 155.9° | 155.6° |
C3 | C10 | C11 | H1 | 34.0° | 129.2° |
C3 | C10 | C11 | H2 | 154.0° | 110.8° |
C3 | C10 | C11 | H3 | 86.0° | 9.3° |
C3 | C10 | C12 | H4 | 107.9° | 9.2° |
C3 | C10 | C12 | H5 | 132.1° | 110.8° |
C3 | C10 | C12 | H6 | 12.1° | 129.2° |
C10 | C3 | C2 | H40 | 54.5° | 158.3° |
C10 | C3 | C2 | H41 | 176.0° | 79.5° |
C4 | C3 | C2 | N39 | 0.9° | 23.9° |
C4 | C3 | C2 | H48 | 138.4° | 141.1° |
C3 | C4 | C33 | H34 | 124.4° | 142.8° |
C4 | C3 | C2 | H40 | 120.2° | 94.9° |
C4 | C3 | C2 | H41 | 118.3° | 142.8° |
O41 | C8 | N34 | H51 | 177.5° | 175.3° |
O41 | C8 | N35 | H52 | 171.7° | 175.7° |
N39 | C2 | C3 | H40 | 119.3° | 118.8° |
N39 | C2 | C3 | H41 | 119.3° | 118.9° |
C2 | N39 | C33 | H34 | 124.6° | 158.4° |
N39 | C2 | H40 | H41 | 122.1° | 122.4° |
N39 | C2 | C3 | H48 | 139.4° | 165.0° |
O43 | S46 | C19 | O42 | 128.3° | 131.0° |
O43 | S46 | C19 | C20 | 116.1° | 114.5° |
O43 | S46 | O42 | C20 | 121.3° | 124.9° |
O43 | S46 | C20 | C21 | 48.5° | 54.5° |
O43 | S46 | C20 | C22 | 73.7° | 174.5° |
O43 | S46 | C20 | C23 | 167.5° | 65.5° |
O43 | S46 | C19 | H38 | 153.9° | 174.5° |
O43 | S46 | C19 | H39 | 36.1° | 54.5° |
C6 | C7 | C29 | C28 | 122.9° | 120.0° |
C6 | C7 | C30 | H30 | 180.0° | 55.5° |
C6 | C7 | C30 | H31 | 60.0° | 175.4° |
C6 | C7 | C30 | H32 | 60.0° | 64.6° |
C6 | C7 | C28 | H42 | 60.3° | 180.0° |
C6 | C7 | C28 | H43 | 59.7° | 60.1° |
C6 | C7 | C28 | H44 | 179.7° | 60.0° |
C6 | C7 | C29 | H45 | 61.8° | 54.7° |
C6 | C7 | C29 | H46 | 178.2° | 65.4° |
C6 | C7 | C29 | H47 | 58.2° | 174.7° |
C7 | C6 | N34 | H51 | 57.5° | 86.9° |
C19 | S46 | O42 | C20 | 114.3° | 110.1° |
C19 | S46 | C20 | C21 | 165.9° | 60.0° |
C19 | S46 | C20 | C22 | 43.8° | 60.0° |
C19 | S46 | C20 | C23 | 75.0° | 180.0° |
S46 | C19 | H38 | H39 | 116.7° | 120.0° |
O42 | S46 | C20 | C21 | 78.2° | 174.5° |
O42 | S46 | C20 | C22 | 159.7° | 54.5° |
O42 | S46 | C20 | C23 | 40.8° | 65.5° |
O42 | S46 | C19 | H38 | 77.7° | 54.5° |
O42 | S46 | C19 | H39 | 164.4° | 174.5° |
S46 | C20 | C21 | C22 | 120.2° | 119.9° |
S46 | C20 | C21 | C23 | 115.0° | 120.0° |
S46 | C20 | C22 | C23 | 115.0° | 120.0° |
S46 | C20 | C21 | H15 | 180.0° | 60.0° |
S46 | C20 | C21 | H16 | 60.0° | 60.1° |
S46 | C20 | C21 | H17 | 60.0° | 180.0° |
S46 | C20 | C22 | H18 | 180.0° | 180.0° |
S46 | C20 | C22 | H19 | 60.0° | 60.0° |
S46 | C20 | C22 | H20 | 60.0° | 60.0° |
S46 | C20 | C23 | H21 | 180.0° | 60.0° |
S46 | C20 | C23 | H22 | 60.0° | 60.0° |
S46 | C20 | C23 | H23 | 60.0° | 180.0° |
C20 | S46 | C19 | H38 | 37.9° | 60.0° |
C20 | S46 | C19 | H39 | 80.0° | 59.9° |
C29 | C7 | C30 | H30 | 61.2° | 64.5° |
C29 | C7 | C30 | H31 | 178.8° | 55.4° |
C29 | C7 | C30 | H32 | 58.8° | 175.4° |
C29 | C7 | C28 | H42 | 61.0° | 60.0° |
C29 | C7 | C28 | H43 | 179.0° | 60.0° |
C29 | C7 | C28 | H44 | 59.0° | 180.0° |
C7 | C29 | H45 | H46 | 120.0° | 120.0° |
C7 | C29 | H45 | H47 | 120.0° | 120.0° |
C7 | C29 | H46 | H47 | 120.0° | 120.0° |
C29 | C7 | C6 | H50 | 74.8° | 62.5° |
C28 | C7 | C30 | H30 | 58.0° | 175.5° |
C28 | C7 | C30 | H31 | 62.1° | 64.6° |
C28 | C7 | C30 | H32 | 177.9° | 55.4° |
C7 | C28 | H42 | H43 | 120.0° | 120.0° |
C7 | C28 | H42 | H44 | 120.0° | 120.0° |
C7 | C28 | H43 | H44 | 120.0° | 120.0° |
C28 | C7 | C29 | H45 | 61.1° | 174.7° |
C28 | C7 | C29 | H46 | 58.9° | 54.7° |
C28 | C7 | C29 | H47 | 178.9° | 65.3° |
C28 | C7 | C6 | H50 | 46.5° | 177.4° |
C3 | C2 | H40 | H41 | 122.1° | 122.3° |
C2 | C3 | C4 | H49 | 138.7° | 138.4° |
C21 | C20 | C22 | C23 | 124.9° | 120.0° |
C20 | C21 | H15 | H16 | 120.0° | 120.0° |
C20 | C21 | H15 | H17 | 120.0° | 120.0° |
C20 | C21 | H16 | H17 | 120.0° | 119.9° |
C21 | C20 | C22 | H18 | 59.9° | 60.0° |
C21 | C20 | C22 | H19 | 180.0° | 180.0° |
C21 | C20 | C22 | H20 | 60.1° | 60.0° |
C21 | C20 | C23 | H21 | 62.8° | 60.0° |
C21 | C20 | C23 | H22 | 57.2° | 180.0° |
C21 | C20 | C23 | H23 | 177.2° | 60.0° |
C22 | C20 | C21 | H15 | 59.8° | 59.9° |
C22 | C20 | C21 | H16 | 60.2° | 180.0° |
C22 | C20 | C21 | H17 | 179.7° | 60.0° |
C20 | C22 | H18 | H19 | 120.0° | 120.0° |
C20 | C22 | H18 | H20 | 120.0° | 120.0° |
C20 | C22 | H19 | H20 | 120.0° | 120.0° |
C22 | C20 | C23 | H21 | 62.5° | 180.0° |
C22 | C20 | C23 | H22 | 177.5° | 60.0° |
C22 | C20 | C23 | H23 | 57.4° | 60.0° |
C23 | C20 | C21 | H15 | 65.0° | 180.0° |
C23 | C20 | C21 | H16 | 175.0° | 59.9° |
C23 | C20 | C21 | H17 | 55.0° | 60.0° |
C23 | C20 | C22 | H18 | 65.0° | 60.0° |
C23 | C20 | C22 | H19 | 55.0° | 60.0° |
C23 | C20 | C22 | H20 | 175.0° | 180.0° |
C20 | C23 | H21 | H22 | 120.0° | 120.0° |
C20 | C23 | H21 | H23 | 120.0° | 120.0° |
C20 | C23 | H22 | H23 | 120.0° | 120.0° |
H1 | C11 | H2 | H3 | 120.0° | 119.9° |
H4 | C12 | H5 | H6 | 120.0° | 119.9° |
H7 | C14 | C15 | H9 | 56.7° | 59.9° |
H7 | C14 | C15 | H10 | 62.7° | 180.0° |
H8 | C14 | C15 | H9 | 175.7° | 60.0° |
H8 | C14 | C15 | H10 | 56.2° | 60.0° |
H9 | C15 | C16 | H11 | 55.8° | 59.9° |
H9 | C15 | C16 | H12 | 175.3° | 60.0° |
H10 | C15 | C16 | H11 | 63.7° | 180.0° |
H10 | C15 | C16 | H12 | 55.8° | 60.1° |
H11 | C16 | C17 | H36 | 64.7° | 59.9° |
H11 | C16 | C17 | H37 | 54.7° | 179.9° |
H12 | C16 | C17 | H36 | 54.9° | 60.0° |
H12 | C16 | C17 | H37 | 174.2° | 60.0° |
H13 | C18 | C17 | H36 | 54.5° | 60.0° |
H13 | C18 | C17 | H37 | 173.8° | 60.0° |
H14 | C18 | C17 | H36 | 64.3° | 60.0° |
H14 | C18 | C17 | H37 | 55.0° | 180.0° |
H15 | C21 | H16 | H17 | 120.0° | 120.0° |
H18 | C22 | H19 | H20 | 120.0° | 120.0° |
H21 | C23 | H22 | H23 | 120.0° | 120.0° |
H24 | C24 | C25 | H26 | 148.5° | 97.5° |
H24 | C24 | C25 | H27 | 26.1° | 24.4° |
H24 | C24 | C31 | H33 | 145.1° | 24.2° |
H25 | C24 | C25 | H26 | 27.0° | 26.2° |
H25 | C24 | C25 | H27 | 95.5° | 148.2° |
H25 | C24 | C31 | H33 | 23.5° | 147.8° |
H26 | C25 | N37 | H54 | 87.8° | 44.0° |
H27 | C25 | N37 | H54 | 34.6° | 78.0° |
H28 | C26 | C31 | H33 | 175.7° | 176.8° |
H28 | C26 | C1 | H35 | 86.0° | 64.3° |
H29 | C26 | C31 | H33 | 56.5° | 63.2° |
H29 | C26 | C1 | H35 | 154.8° | 175.7° |
H30 | C30 | H31 | H32 | 120.0° | 119.9° |
H34 | C33 | C4 | H49 | 98.3° | 76.1° |
H35 | C1 | N36 | H53 | 168.9° | 141.8° |
H40 | C2 | C3 | H48 | 101.3° | 46.1° |
H41 | C2 | C3 | H48 | 20.1° | 76.1° |
H42 | C28 | H43 | H44 | 120.0° | 120.1° |
H45 | C29 | H46 | H47 | 120.0° | 120.0° |
H48 | C3 | C4 | H49 | 0.3° | 0.0° |
H50 | C6 | N34 | H51 | 173.6° | 153.1° |