REAL300032003445.mol2 36                                                        
   1       O    -0.45    -4.76    12.72       5.55       0.07    -4.69     16
   2       C     0.48     2.33     7.17     -10.98      -0.08     2.25     16
   3       C     0.39     0.74     4.66      36.01       0.17     0.91     16
   4       F    -0.14    -2.37    16.66       2.25       0.04    -2.33     16
   5       F    -0.21    -2.47    15.87       2.25       0.04    -2.43     16
   6       F    -0.12    -1.64    13.72       2.25       0.03    -1.61     16
   7       F    -0.21    -2.42    15.88       2.25       0.04    -2.39     16
   8       F    -0.12    -1.67    13.70       2.25       0.03    -1.64     16
   9       N    -0.60    -1.72     3.32    -170.39      -0.57    -2.29     16
  10       C     0.07    -0.02     6.48      -3.07      -0.02    -0.04     16
  11       C    -0.13    -0.33     6.12     -24.90      -0.15    -0.48     16
  12       C    -0.11    -0.55     3.12     -88.37      -0.28    -0.83     16
  13       C     0.13     1.32     5.12      -4.04      -0.02     1.30     16
  14       N    -0.73   -10.30     5.40     -61.36      -0.33   -10.64     16
  15       C     0.61    13.16     7.81     -12.49      -0.10    13.06     16
  16       O    -0.50   -12.98    15.72     -13.01      -0.20   -13.18     16
  17       C    -0.05    -1.31     6.69     -83.92      -0.56    -1.87     16
  18       N    -0.50   -10.34    10.83      24.03       0.26   -10.08     16
  19       S     0.39     8.10    24.20    -107.50      -2.60     5.50     16
  20       N    -0.60   -16.45    12.18      28.50       0.35   -16.10     16
  21       C     0.38    11.46     8.19     -17.49      -0.14    11.31     16
  22       O    -0.66   -23.19    17.64     -37.39      -0.66   -23.85     16
  23       C     0.12     0.56     6.38      -2.42      -0.02     0.54     16
  24       H     0.19    -0.61     7.65     -51.92      -0.40    -1.01     16
  25       H     0.19    -0.62     7.65     -51.93      -0.40    -1.01     16
  26       H     0.08    -0.23     8.14     -51.92      -0.42    -0.66     16
  27       H     0.09    -0.22     8.14     -51.93      -0.42    -0.64     16
  28       H     0.10     0.22     8.14     -51.93      -0.42    -0.20     16
  29       H     0.09     0.32     8.01     -51.93      -0.42    -0.10     16
  30       H     0.10     0.46     8.14     -51.93      -0.42     0.03     16
  31       H     0.07     0.74     8.11     -51.93      -0.42     0.32     16
  32       H     0.07     0.80     8.14     -51.93      -0.42     0.38     16
  33       H     0.40     4.81     7.83     -40.82      -0.32     4.49     16
  34       H     0.09     0.43     8.03     -51.93      -0.42     0.02     16
  35       H     0.09     0.55     8.03     -51.93      -0.42     0.13     16
 Total:         -1.00   -48.21   335.61                 -4.55   -52.77