REAL300017308402.mol2 39                                                        
   1       C    -0.15    -2.81     8.94      71.98       0.64    -2.17     16
   2       C    -0.11    -2.22     2.68     -10.79      -0.03    -2.25     16
   3       C    -0.14    -2.82     7.46      71.98       0.54    -2.28     16
   4       C     0.19     4.97     1.46      44.99       0.07     5.04     16
   5       H     0.08     2.22     7.19      -2.39      -0.02     2.20     16
   6       C    -0.18    -6.54     5.26      29.85       0.16    -6.38     16
   7       C     0.47    24.11     7.92      71.24       0.56    24.67     16
   8       O    -0.69   -32.99    12.62      19.06       0.24   -32.75     16
   9       O    -0.77   -49.40    18.00      19.03       0.34   -49.06     16
  10       N    -1.08   -27.03     3.96    -169.39      -0.67   -27.70     16
  11       S     2.72    64.17     5.34     -56.49      -0.30    63.87     16
  12       O    -0.97   -26.28    17.28    -128.00      -2.21   -28.49     16
  13       O    -0.94   -21.39    12.69    -128.00      -1.62   -23.01     16
  14       C    -0.64   -15.90     3.90      22.27       0.09   -15.81     16
  15       C     0.05     1.14     8.67      22.27       0.19     1.34     16
  16       C    -0.13    -3.38     8.62      22.27       0.19    -3.19     16
  17       C     0.38    12.37     4.82      22.27       0.11    12.48     16
  18       F    -0.21   -10.26    16.66      44.97       0.75    -9.51     16
  19       F    -0.17    -7.56    15.31      44.97       0.69    -6.87     16
  20       F    -0.16    -6.10    15.31      44.97       0.69    -5.41     16
  21       F    -0.16    -6.50    15.31      44.97       0.69    -5.81     16
  22       F    -0.16    -7.15    15.31      44.97       0.69    -6.46     16
  23       C    -0.13    -3.78     8.62      22.27       0.19    -3.59     16
  24       C     0.06     1.60     8.53      22.27       0.19     1.79     16
  25       H     0.07     1.11     8.14      -2.39      -0.02     1.09     16
  26       H     0.05     1.07     6.43      -2.39      -0.02     1.05     16
  27       H     0.06     1.09     8.14      -2.38      -0.02     1.07     16
  28       H     0.08     1.55     8.14      -2.39      -0.02     1.53     16
  29       H     0.07     1.38     7.04      -2.39      -0.02     1.37     16
  30       H     0.05     1.00     5.95      -2.39      -0.01     0.99     16
  31       H     0.06     1.02     8.14      -2.38      -0.02     1.00     16
  32       H     0.08     2.84     6.30      -2.39      -0.02     2.82     16
  33       H     0.07     2.53     8.14      -2.39      -0.02     2.51     16
  34       H     0.42     9.65     8.88     -96.75      -0.86     8.80     16
  35       H     0.22     3.05     7.62      -2.91      -0.02     3.03     16
  36       H     0.20     4.34     7.40      -2.91      -0.02     4.32     16
  37       H     0.19     4.98     7.40      -2.91      -0.02     4.96     16
  38       H     0.20     4.13     7.62      -2.91      -0.02     4.11     16
 Total:         -1.00   -81.77   337.23                  1.05   -80.71