REAL300008156880.mol2 37                                                        
   1       O    -0.68   -42.24    13.05      26.22       0.34   -41.90     16
   2       C     0.45    26.67     7.92      71.24       0.56    27.24     16
   3       O    -0.77   -54.01    18.00      19.05       0.34   -53.66     16
   4       C    -0.17    -6.96     5.41      29.85       0.16    -6.80     16
   5       C     0.21     6.05     2.27      44.99       0.10     6.15     16
   6       H     0.09     2.62     7.34      -2.39      -0.02     2.60     16
   7       N    -1.09   -28.68     3.28    -169.40      -0.56   -29.23     16
   8       S     2.70    72.71     5.55     -56.49      -0.31    72.39     16
   9       O    -0.97   -28.17    17.44    -128.01      -2.23   -30.40     16
  10       O    -0.93   -36.30    13.47    -118.75      -1.60   -37.90     16
  11       C    -0.67   -10.25     4.24      22.27       0.09   -10.16     16
  12       C     0.05     0.64     8.23      22.27       0.18     0.82     16
  13       C    -0.12    -1.59     8.41      22.27       0.19    -1.40     16
  14       C     0.39     6.25     4.82      22.27       0.11     6.36     16
  15       F    -0.21    -7.80    16.66      44.97       0.75    -7.05     16
  16       F    -0.15    -4.15    15.31      44.97       0.69    -3.46     16
  17       F    -0.16    -4.83    15.32      44.97       0.69    -4.14     16
  18       F    -0.16    -4.49    15.31      44.97       0.69    -3.80     16
  19       F    -0.16    -4.51    15.31      44.97       0.69    -3.82     16
  20       C    -0.12    -1.18     8.62      22.27       0.19    -0.98     16
  21       C     0.06     0.51     8.88      22.27       0.20     0.71     16
  22       C    -0.17    -3.29     5.74     -10.79      -0.06    -3.35     16
  23       C    -0.16    -2.17     9.81      30.59       0.30    -1.87     16
  24       C    -0.19    -2.68    10.23      30.60       0.31    -2.37     16
  25       H     0.08     3.07     8.14      -2.39      -0.02     3.06     16
  26       H     0.08     2.94     8.14      -2.39      -0.02     2.92     16
  27       H     0.42     9.45     8.34     -96.74      -0.81     8.64     16
  28       H     0.21     2.60     7.50      -2.91      -0.02     2.57     16
  29       H     0.20     2.15     7.40      -2.91      -0.02     2.13     16
  30       H     0.21     1.29     7.40      -2.91      -0.02     1.27     16
  31       H     0.23     0.54     7.76      -2.91      -0.02     0.52     16
  32       H     0.12     2.19     8.07      -2.39      -0.02     2.17     16
  33       H     0.11     1.20     8.14      -2.39      -0.02     1.19     16
  34       H     0.11     1.16     6.57      -2.39      -0.02     1.15     16
  35       H     0.09     1.11     3.12      -2.39      -0.01     1.10     16
  36       H     0.10     1.37     8.14      -2.39      -0.02     1.35     16
 Total:         -1.00   -98.76   329.31                  0.80   -97.97