$coord
          1.093444418039         -0.897171545315         -0.000111684126     c 
         -1.329700920822          0.032321489211         -0.000087895689     c 
         -3.523519598707          0.210891886964          0.000088208817     n 
          3.146380906466          0.402004761694          0.000100245615     n 
          3.241800347014          2.327897628481         -0.000735445057     h 
          4.814698685465         -0.538975577295          0.000494875384     h 
$end
