2_methoxyethanolJG@337
    13
  -4.4870000  -0.0070000  -0.2000000  -0.8940000   0.4510000   0.4420000
  -2.1460000  -0.1940000  -0.1210000  -0.8010000   1.7860000  -0.0410000
  -3.2830000   0.5410000   0.3170000  -5.3380000   0.5800000   0.1560000
  -4.5860000  -1.0450000   0.1270000  -4.4540000   0.0290000  -1.2910000
   0.0040000  -0.0890000   0.1250000  -0.9380000   0.4830000   1.5340000
  -2.2510000  -1.2250000   0.2300000  -2.1270000  -0.1760000  -1.2140000
   0.0080000   2.1640000   0.3380000