REAL300031403587.mol2 34                                                        
   1       O    -0.44    -6.35    12.72       5.55       0.07    -6.28     16
   2       C     0.48     4.11     7.17     -10.98      -0.08     4.03     16
   3       C     0.37     1.82     4.66      36.01       0.17     1.98     16
   4       F    -0.04    -0.62    16.66       2.25       0.04    -0.58     16
   5       F    -0.14    -2.32    13.72       2.25       0.03    -2.29     16
   6       F    -0.16    -1.98    15.87       2.25       0.04    -1.94     16
   7       F    -0.17    -2.51    13.70       2.25       0.03    -2.48     16
   8       F    -0.28    -3.98    15.88       2.25       0.04    -3.95     16
   9       N    -0.60    -3.89     3.33    -170.53      -0.57    -4.45     16
  10       C     0.10     0.91     6.60      -2.53      -0.02     0.89     16
  11       C     0.15     1.49     3.20     -65.78      -0.21     1.28     16
  12       H     0.12     1.38     7.73     -51.93      -0.40     0.98     16
  13       N    -0.71   -10.81     4.89     -52.77      -0.26   -11.07     16
  14       C     0.61    13.71     7.81     -12.48      -0.10    13.61     16
  15       O    -0.50   -13.00    15.47     -13.01      -0.20   -13.21     16
  16       C    -0.05    -1.40     6.69     -83.92      -0.56    -1.97     16
  17       N    -0.50   -11.02    10.83      24.03       0.26   -10.76     16
  18       S     0.40     8.69    24.20    -107.50      -2.60     6.09     16
  19       N    -0.60   -17.13    12.18      28.50       0.35   -16.78     16
  20       C     0.38    11.89     8.19     -17.49      -0.14    11.74     16
  21       O    -0.66   -23.71    17.64     -37.36      -0.66   -24.37     16
  22       C     0.09     0.40     4.12     -24.90      -0.10     0.30     16
  23       H     0.10     0.15     8.14     -51.93      -0.42    -0.27     16
  24       O    -0.54    -2.88    12.57     -35.23      -0.44    -3.33     16
  25       C     0.04     0.08     6.25      -3.07      -0.02     0.06     16
  26       H     0.18    -0.22     7.65     -51.92      -0.40    -0.61     16
  27       H     0.18     0.15     7.65     -51.93      -0.40    -0.25     16
  28       H     0.10     0.68     8.14     -51.93      -0.42     0.26     16
  29       H     0.10     1.45     8.04     -51.93      -0.42     1.03     16
  30       H     0.41     5.73     7.69     -40.82      -0.31     5.42     16
  31       H     0.38     0.01     9.12      45.56       0.42     0.43     16
  32       H     0.09     0.08     8.06     -51.93      -0.42    -0.34     16
  33       H     0.09    -0.20     8.14     -51.93      -0.42    -0.62     16
 Total:         -1.00   -49.29   324.68                 -3.25   -52.54