##TITLE= example_dx chemdig rzepa RECORD_START=     1
##JCAMP-DX= 4.24
##BLOCKS= 1
##TITLE= STRUCTURE
##JCAMP-CS= 3.7
##BLOCK_ID= 1
##DATE= 99/10/28
##TIME= 11:33:07
##OWNER= Nobody
##ORIGIN = /usr/local/www/cgi/nci.tcl
##NAMES= Sodium hydroxymethylsulfonate
##AUTHOR= National Cancer Institute
##MOLFORM= CH4 O4 S
##CAS REGISTRY NO= 870-72-4
##$MW= 112.10
##ATOMLIST=
$$ AN AS NH
   1 S
   2 C
   3 O
   4 O
   5 O
   6 O
   7 H
   8 H
   9 H
  10 H
##BONDLIST=
$$ AN1 AN2 BT
   1    2 S
   1    3 D
   1    4 D
   1    5 S
   2    6 S
   2    7 S
   2    8 S
   5    9 S
   6   10 S
##END= $$ STRUCTURE
##END=RECORD_END=     1