toluene
    15
   1.8950000  -1.0280000  -0.1090000   0.8280000  -0.4310000   0.5630000
   2.9450000  -1.5940000   0.6140000   0.8110000  -0.4000000   1.9570000
   2.9280000  -1.5630000   2.0080000   1.8610000  -0.9670000   2.6800000
   1.8430000  -0.9340000   4.1710000   1.9080000  -1.0510000  -1.1950000
   0.0100000   0.0100000   0.0000000   3.7750000  -2.0580000   0.0910000
  -0.0250000   0.0670000   2.4720000   3.7500000  -2.0070000   2.5630000
   2.7460000  -0.4420000   4.5530000   0.9650000  -0.3920000   4.5470000
   1.7940000  -1.9470000   4.5910000