pent_1_yne
    13
   3.8760000  -3.3880000   1.2010000   2.9020000  -2.8460000   0.7550000
   0.7830000  -0.0540000  -0.7630000   1.7080000  -2.1860000   0.2090000
   2.0200000  -0.7560000  -0.2270000   4.7400000  -3.8690000   1.5970000
  -0.0130000  -0.0330000  -0.0120000   1.0210000   0.9790000  -1.0350000
   0.4000000  -0.5600000  -1.6560000   1.3310000  -2.7610000  -0.6440000
   0.9160000  -2.1790000   0.9670000   2.7960000  -0.7590000  -1.0020000
   2.4210000  -0.1830000   0.6190000