REAL300017619608.mol2 37                                                        
   1       O    -0.23    -1.11    11.86      19.04       0.23    -0.88     16
   2       C     0.52    -5.71     7.92      71.24       0.56    -5.15     16
   3       O    -0.19     0.64    18.00      19.07       0.34     0.98     16
   4       C     0.03    -0.80     5.43      29.85       0.16    -0.64     16
   5       C     0.13    -2.82     1.91      44.99       0.09    -2.73     16
   6       H     0.15    -2.97     7.05      -2.39      -0.02    -2.99     16
   7       N    -1.02    16.73     4.56    -169.41      -0.77    15.96     16
   8       S     2.74     5.36     5.61     -56.49      -0.32     5.05     16
   9       O    -0.94    -8.45    17.28    -128.00      -2.21   -10.66     16
  10       O    -0.92    -3.41    13.81    -128.00      -1.77    -5.17     16
  11       C    -0.70   -13.33     3.76      22.27       0.08   -13.24     16
  12       C     0.04     1.05     8.42      22.27       0.19     1.24     16
  13       C    -0.18    -9.49     8.62      22.27       0.19    -9.30     16
  14       C     0.48    34.79     4.82      22.27       0.11    34.90     16
  15       F    -0.28   -33.63    16.66      44.97       0.75   -32.88     16
  16       F    -0.58   -63.00    15.31      44.97       0.69   -62.31     16
  17       F    -0.60   -65.90    15.32      44.97       0.69   -65.21     16
  18       F    -0.60   -67.47    15.31      44.97       0.69   -66.78     16
  19       F    -0.58   -61.95    15.31      44.97       0.69   -61.26     16
  20       C    -0.18   -10.44     8.62      22.27       0.19   -10.25     16
  21       C     0.04     1.29     8.38      22.27       0.19     1.48     16
  22       C    -0.12     3.00     5.30     -10.79      -0.06     2.94     16
  23       C    -0.16     2.90    10.18      30.59       0.31     3.22     16
  24       C    -0.19     2.57    10.09      30.59       0.31     2.88     16
  25       H     0.28   -12.46     8.14      -2.39      -0.02   -12.48     16
  26       H     0.26   -10.82     8.14      -2.38      -0.02   -10.84     16
  27       H     0.46   -11.91     8.91     -96.75      -0.86   -12.77     16
  28       H     0.23     2.16     7.62      -2.91      -0.02     2.14     16
  29       H     0.13     8.01     7.40      -2.91      -0.02     7.99     16
  30       H     0.12     7.83     7.40      -2.91      -0.02     7.81     16
  31       H     0.21     3.73     7.62      -2.91      -0.02     3.71     16
  32       H     0.19    -6.64     8.14      -2.39      -0.02    -6.66     16
  33       H     0.13    -2.45     8.14      -2.39      -0.02    -2.47     16
  34       H     0.11    -1.84     8.09      -2.39      -0.02    -1.86     16
  35       H     0.12    -0.78     4.80      -2.39      -0.01    -0.79     16
  36       H     0.12    -1.65     8.14      -2.39      -0.02    -1.67     16
 Total:         -1.00  -308.95   332.06                  0.23  -308.72