REAL300032973584.mol2 35                                                        
   1       C    -0.17    -0.59     9.48      37.16       0.35    -0.24     16
   2       C     0.15     0.64     2.57     -67.93      -0.17     0.46     16
   3       H     0.10     0.66     7.58     -51.93      -0.39     0.27     16
   4       C    -0.14    -0.67     4.87     -26.73      -0.13    -0.80     16
   5       C     0.12     1.21     5.56      -4.04      -0.02     1.18     16
   6       N    -0.73   -10.70     5.55     -61.36      -0.34   -11.04     16
   7       C     0.60    13.37     7.81     -12.48      -0.10    13.27     16
   8       O    -0.50   -13.12    15.72     -13.00      -0.20   -13.32     16
   9       C    -0.05    -1.35     6.69     -83.92      -0.56    -1.91     16
  10       N    -0.50   -10.59    10.83      24.02       0.26   -10.33     16
  11       S     0.39     8.25    24.20    -107.50      -2.60     5.65     16
  12       N    -0.60   -16.64    12.18      28.49       0.35   -16.30     16
  13       C     0.38    11.57     8.19     -17.49      -0.14    11.43     16
  14       O    -0.66   -23.36    17.64     -37.39      -0.66   -24.02     16
  15       N    -0.70    -1.59     4.53     -53.81      -0.24    -1.83     16
  16       C     0.47     2.27     7.12     -10.99      -0.08     2.19     16
  17       O    -0.45    -4.69    12.13       5.56       0.07    -4.62     16
  18       C     0.38     0.95     5.47      36.01       0.20     1.15     16
  19       F    -0.14    -2.58    16.66       2.25       0.04    -2.54     16
  20       F    -0.13    -1.82    13.71       2.25       0.03    -1.79     16
  21       F    -0.20    -2.65    15.88       2.25       0.04    -2.62     16
  22       F    -0.12    -1.69    13.71       2.25       0.03    -1.66     16
  23       F    -0.22    -2.72    15.87       2.25       0.04    -2.68     16
  24       H     0.08     0.26     8.14     -51.93      -0.42    -0.16     16
  25       H     0.07     0.35     8.14     -51.93      -0.42    -0.08     16
  26       H     0.06     0.15     8.14     -51.93      -0.42    -0.27     16
  27       H     0.10     0.44     8.14     -51.93      -0.42     0.02     16
  28       H     0.08     0.25     8.14     -51.93      -0.42    -0.17     16
  29       H     0.06     0.59     7.75     -51.93      -0.40     0.19     16
  30       H     0.07     0.81     8.14     -51.93      -0.42     0.38     16
  31       H     0.40     5.10     7.96     -40.82      -0.32     4.77     16
  32       H     0.41    -0.56     8.60     -40.82      -0.35    -0.91     16
  33       H     0.19    -0.37     7.65     -51.93      -0.40    -0.76     16
  34       H     0.19    -0.62     7.65     -51.93      -0.40    -1.02     16
 Total:         -1.00   -49.44   332.40                 -3.66   -53.10