$coord
    -1.785333747    -3.126082999     0.000000000     BR
     0.000000000     0.816042264     0.000000000     BR
     2.658286999     5.297075806     0.000000000     O 
     4.885971586     4.861161373     0.000000000     C 
     5.615509753     2.908222159     0.000000000     H 
     6.289076126     6.399636435     0.000000000     H 
$end
