REAL300031267673.mol2 38                                                        
   1       C    -0.17    -1.12     9.48      37.16       0.35    -0.77     16
   2       C     0.15     1.15     2.57     -67.93      -0.17     0.98     16
   3       C    -0.13    -0.78     4.43     -26.73      -0.12    -0.90     16
   4       C     0.14     1.40     2.57     -67.93      -0.17     1.22     16
   5       C    -0.16    -1.53     9.48      37.16       0.35    -1.18     16
   6       N    -0.72    -8.90     3.80     -54.86      -0.21    -9.10     16
   7       C     0.60    11.44     7.77     -12.48      -0.10    11.34     16
   8       O    -0.49   -11.61    15.38     -13.00      -0.20   -11.81     16
   9       C    -0.03    -0.67     6.69     -83.92      -0.56    -1.23     16
  10       N    -0.53    -8.56    10.61      24.02       0.25    -8.31     16
  11       S     0.46     7.85    24.20    -107.50      -2.60     5.25     16
  12       N    -0.58   -14.07    12.18      28.50       0.35   -13.73     16
  13       C     0.38    10.02     8.19     -17.49      -0.14     9.88     16
  14       O    -0.61   -19.60    17.64     -37.39      -0.66   -20.26     16
  15       N    -0.71    -6.10     3.80     -53.81      -0.20    -6.30     16
  16       C     0.47     6.10     7.12     -10.99      -0.08     6.02     16
  17       O    -0.44    -7.72    12.13       5.56       0.07    -7.65     16
  18       C     0.32     4.00     5.47      36.01       0.20     4.19     16
  19       F    -0.12    -2.78    16.66       2.25       0.04    -2.74     16
  20       F    -0.01    -0.21    13.71       2.25       0.03    -0.18     16
  21       F    -0.26    -5.30    15.87       2.25       0.04    -5.27     16
  22       F    -0.11    -2.20    15.88       2.25       0.04    -2.17     16
  23       F    -0.33    -7.43    13.71       2.25       0.03    -7.40     16
  24       H     0.07     0.39     8.14     -51.93      -0.42    -0.03     16
  25       H     0.07     0.63     8.14     -51.93      -0.42     0.21     16
  26       H     0.06     0.32     8.14     -51.93      -0.42    -0.10     16
  27       H     0.10     1.03     7.58     -51.93      -0.39     0.64     16
  28       H     0.10     0.42     8.14     -51.93      -0.42     0.00     16
  29       H     0.08     0.32     8.14     -51.93      -0.42    -0.11     16
  30       H     0.09     1.17     7.58     -51.93      -0.39     0.77     16
  31       H     0.07     0.84     8.14     -51.93      -0.42     0.42     16
  32       H     0.06     0.48     8.14     -51.93      -0.42     0.05     16
  33       H     0.06     0.46     8.14     -51.93      -0.42     0.03     16
  34       H     0.39     3.69     6.00     -40.82      -0.24     3.44     16
  35       H     0.40     2.32     6.51     -40.82      -0.27     2.05     16
  36       H     0.17     1.98     7.42     -51.93      -0.39     1.59     16
  37       H     0.17     1.25     7.65     -51.93      -0.40     0.85     16
 Total:         -1.00   -41.32   347.20                 -3.71   -45.04