REAL300007602067.mol2 39                                                        
   1       C    -0.15    -1.99     9.19      71.98       0.66    -1.32     16
   2       C    -0.11    -1.91     3.12     -10.79      -0.03    -1.94     16
   3       C    -0.16    -2.87     7.87      71.98       0.57    -2.30     16
   4       C     0.11     3.07     5.16      86.38       0.45     3.51     16
   5       N    -0.96   -30.48     2.19    -519.82      -1.14   -31.62     16
   6       C     0.07     2.82     5.22      85.63       0.45     3.26     16
   7       C     0.45    27.07     8.12      71.24       0.58    27.65     16
   8       O    -0.72   -47.67    17.31      19.06       0.33   -47.34     16
   9       O    -0.75   -50.97    18.00      19.05       0.34   -50.63     16
  10       S     2.70    76.20     5.65     -56.49      -0.32    75.88     16
  11       O    -0.97   -36.00    16.24    -128.00      -2.08   -38.08     16
  12       O    -0.96   -28.64    15.85    -128.00      -2.03   -30.67     16
  13       C    -0.67   -10.04     5.97      22.27       0.13    -9.91     16
  14       C     0.05     0.49     8.20      22.27       0.18     0.68     16
  15       C    -0.11    -1.10     8.62      22.27       0.19    -0.91     16
  16       C     0.39     6.00     4.82      22.27       0.11     6.11     16
  17       F    -0.21    -7.66    16.66      44.97       0.75    -6.91     16
  18       F    -0.16    -4.45    15.31      44.97       0.69    -3.76     16
  19       F    -0.16    -4.41    15.31      44.97       0.69    -3.73     16
  20       F    -0.16    -4.70    15.31      44.97       0.69    -4.02     16
  21       F    -0.15    -4.12    15.32      44.97       0.69    -3.43     16
  22       C    -0.12    -1.42     8.62      22.27       0.19    -1.22     16
  23       C     0.05     0.61     9.52      22.27       0.21     0.82     16
  24       H     0.07     0.78     8.14      -2.39      -0.02     0.76     16
  25       H     0.07     0.81     8.14      -2.38      -0.02     0.79     16
  26       H     0.05     0.80     8.14      -2.39      -0.02     0.78     16
  27       H     0.09     0.99     6.77      -2.39      -0.02     0.97     16
  28       H     0.07     1.04     8.14      -2.38      -0.02     1.02     16
  29       H     0.04     0.96     8.10      -2.39      -0.02     0.94     16
  30       H     0.06     1.11     6.11      -2.39      -0.01     1.09     16
  31       H     0.06     2.10     8.09      -2.39      -0.02     2.09     16
  32       H     0.10     2.42     6.94      -2.39      -0.02     2.40     16
  33       H     0.11     3.49     7.60      -2.39      -0.02     3.47     16
  34       H     0.12     3.88     5.40      -2.39      -0.01     3.87     16
  35       H     0.22     0.73     7.62      -2.91      -0.02     0.70     16
  36       H     0.21     1.18     7.40      -2.91      -0.02     1.16     16
  37       H     0.20     1.89     7.40      -2.91      -0.02     1.87     16
  38       H     0.21     2.01     7.62      -2.91      -0.02     1.98     16
 Total:         -1.00   -97.96   349.19                  2.01   -95.95