RESIDUE   A1EJR     88
CONECT      C10    3 C07  C11  H101
CONECT      C13    2 C12  C14 
CONECT      C15    3 C14  C16  C27 
CONECT      C04    4 C05  C03  H042 H041
CONECT      C05    4 C04  C06  N28  H051
CONECT      C06    4 C05  C07  H062 H061
CONECT      C07    3 C10  C06  C08 
CONECT      C08    3 C07  C09  H081
CONECT      C09    3 C08  C12  H091
CONECT      C11    3 C10  C12  H111
CONECT      C12    3 C13  C09  C11 
CONECT      C19    3 C18  O20  O21 
CONECT      C01    4 N02  H013 H011 H012
CONECT      C03    3 C04  N02  O49 
CONECT      C14    2 C13  C15 
CONECT      C16    3 C15  C22  O17 
CONECT      C18    4 C19  O17  H181 H182
CONECT      C22    3 C16  C24  BR23
CONECT      C24    3 C22  C25  H241
CONECT      C25    3 C24  C26  C27 
CONECT      C26    4 C25  H261 H263 H262
CONECT      C27    3 C15  C25  H271
CONECT      C29    3 C30  N28  O48 
CONECT      C30    3 C29  C31  C45 
CONECT      C31    3 C30  C32  H311
CONECT      C32    3 C31  C43  N33 
CONECT      CE     4 CD   NZ   HE2  HE3 
CONECT      CD     4 CE   CG   HD3  HD2 
CONECT      CG     4 CD   CB   HG3  HG2 
CONECT      CB     4 CG   CA   HB2  HB3 
CONECT      CA     4 CB   C    N    HA  
CONECT      C      3 CA   O    OXT 
CONECT      C43    3 C32  C44  C46 
CONECT      C44    3 C43  C45  H441
CONECT      C45    3 C30  C44  H451
CONECT      C46    3 C43  NZ   O47 
CONECT      N02    3 C01  C03  H021
CONECT      N28    3 C05  C29  H281
CONECT      N33    3 C32  NZ   H331
CONECT      NZ     3 CE   C46  N33 
CONECT      N      3 CA   H2   H   
CONECT      O17    2 C16  C18 
CONECT      O20    2 C19  H5  
CONECT      O21    1 C19 
CONECT      O      1 C   
CONECT      O47    1 C46 
CONECT      O48    1 C29 
CONECT      O49    1 C03 
CONECT      BR23   1 C22 
CONECT      H101   1 C10 
CONECT      H042   1 C04 
CONECT      H041   1 C04 
CONECT      H051   1 C05 
CONECT      H062   1 C06 
CONECT      H061   1 C06 
CONECT      H081   1 C08 
CONECT      H091   1 C09 
CONECT      H111   1 C11 
CONECT      H013   1 C01 
CONECT      H011   1 C01 
CONECT      H012   1 C01 
CONECT      H181   1 C18 
CONECT      H182   1 C18 
CONECT      H241   1 C24 
CONECT      H261   1 C26 
CONECT      H263   1 C26 
CONECT      H262   1 C26 
CONECT      H271   1 C27 
CONECT      H311   1 C31 
CONECT      HE2    1 CE  
CONECT      HE3    1 CE  
CONECT      HD3    1 CD  
CONECT      HD2    1 CD  
CONECT      HG3    1 CG  
CONECT      HG2    1 CG  
CONECT      HB2    1 CB  
CONECT      HB3    1 CB  
CONECT      HA     1 CA  
CONECT      H441   1 C44 
CONECT      H451   1 C45 
CONECT      H021   1 N02 
CONECT      H281   1 N28 
CONECT      H331   1 N33 
CONECT      H2     1 N   
CONECT      H      1 N   
CONECT      H5     1 O20 
CONECT      OXT    2 C    HXT 
CONECT      HXT    1 OXT 
END   
HET    A1EJR             88
HETNAM     A1EJR (2S)-2-azanyl-6-[6-[[(2R)-1-[4-[2-[3-bromanyl-2-(2-hydr
HETNAM   2 A1EJR oxy-2-oxoethyloxy)-5-methyl-phenyl]ethynyl]phenyl]-4-(m
HETNAM   3 A1EJR ethylamino)-4-oxidanylidene-butan-2-yl]carbamoyl]-3-oxi
HETNAM   4 A1EJR danylidene-1H-indazol-2-yl]hexanoic acid
FORMUL      A1EJR    C36 H38 Br N5 O8