REAL300007972630.mol2 33                                                        
   1       C    -0.17     2.94     9.52      71.98       0.69     3.62     16
   2       C     0.09    -2.34     2.47      44.99       0.11    -2.23     16
   3       H     0.17    -4.53     7.31      -2.39      -0.02    -4.55     16
   4       C     0.04    -1.78     5.38      29.85       0.16    -1.62     16
   5       C     0.53   -16.27     7.92      71.24       0.56   -15.71     16
   6       O    -0.18     3.71    16.01      19.17       0.31     4.01     16
   7       O    -0.17     4.51    18.00      19.07       0.34     4.85     16
   8       N    -1.05    18.14     4.61    -169.38      -0.78    17.36     16
   9       S     2.74     6.39     5.72     -56.49      -0.32     6.06     16
  10       O    -0.95    -9.07    17.28    -128.00      -2.21   -11.28     16
  11       O    -0.93    -4.25    16.39    -127.83      -2.10    -6.34     16
  12       C    -0.71   -13.88     5.07      22.27       0.11   -13.76     16
  13       C     0.04     1.07     8.56      22.27       0.19     1.26     16
  14       C    -0.18    -9.74     8.62      22.27       0.19    -9.55     16
  15       C     0.47    34.92     4.82      22.27       0.11    35.03     16
  16       F    -0.28   -33.97    16.66      44.97       0.75   -33.22     16
  17       F    -0.57   -62.13    15.31      44.97       0.69   -61.44     16
  18       F    -0.60   -67.06    15.32      44.97       0.69   -66.37     16
  19       F    -0.60   -67.70    15.32      44.97       0.69   -67.01     16
  20       F    -0.58   -62.23    15.31      44.97       0.69   -61.54     16
  21       C    -0.19   -10.67     8.62      22.27       0.19   -10.48     16
  22       C     0.04     1.28     9.52      22.27       0.21     1.49     16
  23       H     0.14    -3.18     8.14      -2.39      -0.02    -3.20     16
  24       H     0.12    -2.80     8.14      -2.39      -0.02    -2.82     16
  25       H     0.07    -0.14     6.15      -2.39      -0.01    -0.15     16
  26       H     0.27   -13.79     8.14      -2.39      -0.02   -13.81     16
  27       H     0.28   -14.07     8.14      -2.39      -0.02   -14.09     16
  28       H     0.46   -12.06     8.84     -96.75      -0.85   -12.92     16
  29       H     0.23     2.33     7.62      -2.91      -0.02     2.31     16
  30       H     0.13     8.17     7.40      -2.91      -0.02     8.14     16
  31       H     0.12     8.09     7.40      -2.91      -0.02     8.07     16
  32       H     0.21     3.86     7.62      -2.91      -0.02     3.84     16
 Total:         -1.00  -316.28   311.31                  0.22  -316.06