RESIDUE   SDR     49
CONECT      CAR    3 OAC  CAB  NAP 
CONECT      OAC    1 CAR 
CONECT      CAB    4 CAR  HAB  HABA HABB
CONECT      NAP    3 CAR  CAW  HNAP
CONECT      CAW    4 NAP  CAU  CAO  HAW 
CONECT      CAU    3 CAW  OAF  N   
CONECT      OAF    1 CAU 
CONECT      CAO    4 CAW  CAS  HAO  HAOA
CONECT      CAS    3 CAO  OAD  OAG 
CONECT      OAD    1 CAS 
CONECT      OAG    2 CAS  HOAG
CONECT      C      3 O    CA   OXT 
CONECT      N      3 CAU  CA   HN  
CONECT      O      1 C   
CONECT      CA     4 C    N    CB   HA  
CONECT      CB     4 CA   CAM  HB   HBA 
CONECT      CAA    4 CAI  HAA  HAAA HAAB
CONECT      CAI    4 CAA  CAJ  HAI  HAIA
CONECT      CAJ    4 CAI  CAK  HAJ  HAJA
CONECT      CAK    4 CAJ  CAL  HAK  HAKA
CONECT      CAL    4 CAK  CAM  HAL  HALA
CONECT      CAM    4 CB   CAL  HAM  HAMA
CONECT      OXT    2 C    HXT 
CONECT      HAB    1 CAB 
CONECT      HABA   1 CAB 
CONECT      HABB   1 CAB 
CONECT      HNAP   1 NAP 
CONECT      HAW    1 CAW 
CONECT      HAO    1 CAO 
CONECT      HAOA   1 CAO 
CONECT      HOAG   1 OAG 
CONECT      HN     1 N   
CONECT      HA     1 CA  
CONECT      HB     1 CB  
CONECT      HBA    1 CB  
CONECT      HAA    1 CAA 
CONECT      HAAA   1 CAA 
CONECT      HAAB   1 CAA 
CONECT      HAI    1 CAI 
CONECT      HAIA   1 CAI 
CONECT      HAJ    1 CAJ 
CONECT      HAJA   1 CAJ 
CONECT      HAK    1 CAK 
CONECT      HAKA   1 CAK 
CONECT      HAL    1 CAL 
CONECT      HALA   1 CAL 
CONECT      HAM    1 CAM 
CONECT      HAMA   1 CAM 
CONECT      HXT    1 OXT 
END   
HET    SDR             49
HETNAM     SDR (2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid
FORMUL      SDR    C15 H26 N2 O6