REAL300008032771.mol2 39                                                        
   1       C    -0.15    -2.41     9.91      71.98       0.71    -1.70     16
   2       C    -0.15    -2.80     5.80      30.60       0.18    -2.62     16
   3       C     0.11     3.35     4.72      86.38       0.41     3.76     16
   4       N    -0.96   -30.83     2.44    -497.29      -1.22   -32.04     16
   5       C     0.09     3.55     3.07      44.25       0.14     3.68     16
   6       C    -0.13    -4.04     7.62      71.98       0.55    -3.49     16
   7       C     0.47    27.35     7.15      71.24       0.51    27.86     16
   8       O    -0.72   -46.40    15.80      19.07       0.30   -46.10     16
   9       O    -0.74   -49.48    17.87      19.04       0.34   -49.14     16
  10       S     2.69    71.66     5.68     -56.49      -0.32    71.34     16
  11       O    -0.97   -32.54    15.91    -128.00      -2.04   -34.58     16
  12       O    -0.96   -27.50    15.85    -128.00      -2.03   -29.53     16
  13       C    -0.67    -9.33     5.97      22.27       0.13    -9.20     16
  14       C     0.05     0.46     8.23      22.27       0.18     0.64     16
  15       C    -0.12    -1.09     8.62      22.27       0.19    -0.90     16
  16       C     0.39     5.87     4.82      22.27       0.11     5.98     16
  17       F    -0.20    -7.49    16.66      44.97       0.75    -6.74     16
  18       F    -0.16    -4.47    15.31      44.97       0.69    -3.78     16
  19       F    -0.16    -4.46    15.32      44.97       0.69    -3.77     16
  20       F    -0.17    -4.68    15.32      44.97       0.69    -4.00     16
  21       F    -0.16    -4.23    15.31      44.97       0.69    -3.54     16
  22       C    -0.12    -1.32     8.62      22.27       0.19    -1.13     16
  23       C     0.05     0.55     9.52      22.27       0.21     0.76     16
  24       H     0.07     0.92     8.14      -2.39      -0.02     0.90     16
  25       H     0.07     0.94     8.14      -2.39      -0.02     0.92     16
  26       H     0.04     0.86     8.14      -2.39      -0.02     0.84     16
  27       H     0.08     0.97     6.79      -2.38      -0.02     0.96     16
  28       H     0.08     1.48     5.20      -2.39      -0.01     1.47     16
  29       H     0.06     2.35     6.68      -2.39      -0.02     2.34     16
  30       H     0.09     2.53     6.94      -2.39      -0.02     2.51     16
  31       H     0.11     3.88     7.02      -2.39      -0.02     3.86     16
  32       H     0.05     1.67     6.65      -2.39      -0.02     1.65     16
  33       H     0.06     2.01     8.14      -2.39      -0.02     1.99     16
  34       H     0.10     1.94     7.74      -2.39      -0.02     1.92     16
  35       H     0.22     0.72     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     0.21     1.71     7.40      -2.91      -0.02     1.68     16
  38       H     0.21     1.63     7.62      -2.91      -0.02     1.61     16
 Total:         -1.00   -95.51   345.15                  1.78   -93.73