333_trimethoxypropionitrile
    21
   3.1390000  -3.4250000  -2.6730000   0.8310000  -0.5280000  -0.4460000
  -0.2730000  -2.3880000  -3.9280000   2.3470000   0.6410000  -3.2720000
   2.0630000  -2.7910000  -1.8910000   1.5220000  -1.5010000  -2.5600000
   3.9860000  -3.9250000  -3.2890000   0.4720000  -0.9120000  -1.7650000
   1.0260000  -1.8140000  -3.8820000   2.6580000  -0.6110000  -2.6720000
  -0.0380000  -0.0970000   0.0580000   1.6420000   0.2040000  -0.4860000
   1.1670000  -1.4110000   0.1030000  -0.5490000  -2.5840000  -4.9670000
  -0.9920000  -1.7030000  -3.4720000  -0.2660000  -3.3290000  -3.3730000
   3.2490000   1.2560000  -3.3220000   1.5800000   1.1480000  -2.6820000
   1.9710000   0.4670000  -4.2830000   2.4640000  -2.5590000  -0.8970000
   1.2510000  -3.5100000  -1.7360000