RESIDUE   A1ETN     90
CONECT      C10    3 C09  C11  C16 
CONECT      C13    3 C15  C12  O14 
CONECT      C15    3 C13  C16  H1  
CONECT      C17    4 C09  C18  O51  H2  
CONECT      C22    4 N21  C23  H3   H4  
CONECT      C28    3 C27  C29  H5  
CONECT      O01    2 C02  H6  
CONECT      C02    3 O01  C03  C05 
CONECT      C03    3 C02  C04  H7  
CONECT      C04    3 C03  C07  H8  
CONECT      C05    3 C02  C06  H9  
CONECT      C06    3 C05  C07  H10 
CONECT      C07    3 C04  C06  C08 
CONECT      C08    3 C07  C09  C50 
CONECT      C09    3 C10  C17  C08 
CONECT      C11    3 C10  C12  H15 
CONECT      C12    3 C13  C11  H16 
CONECT      O14    2 C13  H17 
CONECT      C16    3 C10  C15  H18 
CONECT      C18    4 C17  S19  C49  H19 
CONECT      S19    4 C18  O20  N21  O48 
CONECT      O20    1 S19 
CONECT      N21    3 C22  S19  C27 
CONECT      C23    4 C22  F24  F25  F26 
CONECT      F24    1 C23 
CONECT      F25    1 C23 
CONECT      F26    1 C23 
CONECT      C27    3 C28  N21  C47 
CONECT      C29    3 C28  C30  H20 
CONECT      C30    3 C29  O31  C46 
CONECT      O31    2 C30  C32 
CONECT      C32    4 O31  C33  H21  H22 
CONECT      C33    3 C32  N34  O45 
CONECT      N34    3 C33  C35  H23 
CONECT      C35    4 N34  C36  C40  C44 
CONECT      C36    4 C35  C37  H24  H25 
CONECT      C37    4 C36  C38  C39  H26 
CONECT      C38    4 C37  C41  H27  H28 
CONECT      C39    4 C37  C43  H29  H30 
CONECT      C40    4 C35  C41  H31  H32 
CONECT      C41    4 C38  C40  C42  H33 
CONECT      C42    4 C41  C43  H34  H35 
CONECT      C43    4 C39  C42  C44  H36 
CONECT      C44    4 C35  C43  H37  H38 
CONECT      O45    1 C33 
CONECT      C46    3 C30  C47  H39 
CONECT      C47    3 C27  C46  H40 
CONECT      O48    1 S19 
CONECT      C49    4 C18  C50  H41  H42 
CONECT      C50    4 C08  C49  O51  H43 
CONECT      O51    2 C17  C50 
CONECT      H1     1 C15 
CONECT      H2     1 C17 
CONECT      H3     1 C22 
CONECT      H4     1 C22 
CONECT      H5     1 C28 
CONECT      H6     1 O01 
CONECT      H7     1 C03 
CONECT      H8     1 C04 
CONECT      H9     1 C05 
CONECT      H10    1 C06 
CONECT      H15    1 C11 
CONECT      H16    1 C12 
CONECT      H17    1 O14 
CONECT      H18    1 C16 
CONECT      H19    1 C18 
CONECT      H20    1 C29 
CONECT      H21    1 C32 
CONECT      H22    1 C32 
CONECT      H23    1 N34 
CONECT      H24    1 C36 
CONECT      H25    1 C36 
CONECT      H26    1 C37 
CONECT      H27    1 C38 
CONECT      H28    1 C38 
CONECT      H29    1 C39 
CONECT      H30    1 C39 
CONECT      H31    1 C40 
CONECT      H32    1 C40 
CONECT      H33    1 C41 
CONECT      H34    1 C42 
CONECT      H35    1 C42 
CONECT      H36    1 C43 
CONECT      H37    1 C44 
CONECT      H38    1 C44 
CONECT      H39    1 C46 
CONECT      H40    1 C47 
CONECT      H41    1 C49 
CONECT      H42    1 C49 
CONECT      H43    1 C50 
END   
HET    A1ETN             90
HETNAM     A1ETN N-(1-adamantyl)-2-[4-[[(1S,2R,4S)-5,6-bis(4-hydroxyphen
HETNAM   2 A1ETN yl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-[2,2,2-t
HETNAM   3 A1ETN ris(fluoranyl)ethyl]amino]phenoxy]ethanamide
FORMUL      A1ETN    C38 H39 F3 N2 O7 S