RESIDUE   A1IN3     74
CONECT      CAK    4 CAL  CAJ  HAK  HB6 
CONECT      CAL    4 CAK  CAM  HAL  HB7 
CONECT      CAM    4 CAL  CAN  HAM  HB8 
CONECT      CAN    4 CAM  CAO  HAN  HB9 
CONECT      CAO    4 CAN  CAJ  HCA  HAO 
CONECT      CAJ    4 CAK  CAO  CAI  HAJ 
CONECT      CAI    4 CAJ  CAB  CAP  HAI 
CONECT      CAB    3 CAI  OAA  N   
CONECT      OAA    1 CAB 
CONECT      N      3 CAB  CAH  CA  
CONECT      CAH    4 N    CAG  HAH  HB5 
CONECT      CAG    4 CAH  CAF  HAG  HB4 
CONECT      CAF    4 CAG  CB   HAF  HB3 
CONECT      CB     4 CAF  CA   HB2  HB1 
CONECT      CA     4 N    CB   C    HA  
CONECT      C      3 CA   O    OBC 
CONECT      O      1 C   
CONECT      OBC    2 C    CBB 
CONECT      CBB    4 OBC  CBA  HCG  HBB 
CONECT      CBA    4 CBB  CAZ  HCF  HBA 
CONECT      CAZ    3 CBA  CAY  HAZ 
CONECT      CAY    3 CAZ  CAX  HAY 
CONECT      CAX    4 CAY  CAW  HCE  HAX 
CONECT      CAW    4 CAX  OAV  HCD  HAW 
CONECT      OAV    2 CAW  CAU 
CONECT      CAU    3 OAV  CAR  CBF 
CONECT      CAR    3 CAU  OAS  CAQ 
CONECT      OAS    2 CAR  CAT 
CONECT      CAT    4 OAS  HCC  HAT  HCB 
CONECT      CAQ    3 CAR  CAP  HAQ 
CONECT      CAP    3 CAI  CAQ  CBI 
CONECT      CBI    3 CAP  CBF  HBI 
CONECT      CBF    3 CAU  CBI  OBG 
CONECT      OBG    2 CBF  CBH 
CONECT      CBH    4 OBG  HCI  HBH  HCH 
CONECT      HAK    1 CAK 
CONECT      HB6    1 CAK 
CONECT      HAL    1 CAL 
CONECT      HB7    1 CAL 
CONECT      HAM    1 CAM 
CONECT      HB8    1 CAM 
CONECT      HAN    1 CAN 
CONECT      HB9    1 CAN 
CONECT      HCA    1 CAO 
CONECT      HAO    1 CAO 
CONECT      HAJ    1 CAJ 
CONECT      HAI    1 CAI 
CONECT      HAH    1 CAH 
CONECT      HB5    1 CAH 
CONECT      HAG    1 CAG 
CONECT      HB4    1 CAG 
CONECT      HAF    1 CAF 
CONECT      HB3    1 CAF 
CONECT      HB2    1 CB  
CONECT      HB1    1 CB  
CONECT      HA     1 CA  
CONECT      HCG    1 CBB 
CONECT      HBB    1 CBB 
CONECT      HCF    1 CBA 
CONECT      HBA    1 CBA 
CONECT      HAZ    1 CAZ 
CONECT      HAY    1 CAY 
CONECT      HCE    1 CAX 
CONECT      HAX    1 CAX 
CONECT      HCD    1 CAW 
CONECT      HAW    1 CAW 
CONECT      HCC    1 CAT 
CONECT      HAT    1 CAT 
CONECT      HCB    1 CAT 
CONECT      HAQ    1 CAQ 
CONECT      HBI    1 CBI 
CONECT      HCI    1 CBH 
CONECT      HBH    1 CBH 
CONECT      HCH    1 CBH 
END   
HET    A1IN3             74
HETNAM     A1IN3 (2~{S},9~{S},14~{E})-2-cyclohexyl-20,23-dimethoxy-11,18
HETNAM   2 A1IN3 -dioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(22),14,19
HETNAM   3 A1IN3 (23),20-tetraene-3,10-dione
FORMUL      A1IN3    C28 H39 N O6
