H2O
   1.00000000000000
    15.1702995299999994    0.0000000000000000    0.0000000000000000
    -3.1166509764999999   14.8466991119999996    0.0000000000000000
    -3.1166509764999999   -3.8388359409000001   14.3418204263000000
   H  O
   2  1
Direct
  0.6338166485202679  0.5077298916676884  0.0244953679931376
  0.7065223584850695  0.5306718269500321  0.1210748323905582
  0.6398497531130085  0.5142836016264903  0.0911294218343827
