REAL300032275550.mol2 33                                                        
   1       O    -0.45    -5.17    12.79       5.55       0.07    -5.10     16
   2       C     0.48     2.83     7.17     -10.98      -0.08     2.75     16
   3       C     0.39     1.07     4.48      36.01       0.16     1.23     16
   4       F    -0.14    -2.48    16.66       2.25       0.04    -2.44     16
   5       F    -0.12    -1.74    13.70       2.25       0.03    -1.71     16
   6       F    -0.21    -2.54    15.88       2.25       0.04    -2.51     16
   7       F    -0.21    -2.60    15.87       2.25       0.04    -2.56     16
   8       F    -0.12    -1.72    13.72       2.25       0.03    -1.69     16
   9       N    -0.60    -2.66     3.33    -170.53      -0.57    -3.22     16
  10       C     0.08     0.13     6.69      -2.54      -0.02     0.11     16
  11       C    -0.15    -0.91     6.76     -24.59      -0.17    -1.07     16
  12       C     0.14     1.30     3.24     -66.10      -0.21     1.08     16
  13       H     0.11     1.14     7.69     -51.93      -0.40     0.75     16
  14       N    -0.72    -9.98     5.20     -53.08      -0.28   -10.26     16
  15       C     0.61    12.69     7.80     -12.48      -0.10    12.60     16
  16       O    -0.50   -12.03    15.45     -13.00      -0.20   -12.23     16
  17       C    -0.06    -1.39     6.69     -83.92      -0.56    -1.95     16
  18       N    -0.50   -10.44    10.83      24.03       0.26   -10.18     16
  19       S     0.40     8.35    24.20    -107.50      -2.60     5.75     16
  20       N    -0.60   -16.34    12.18      28.50       0.35   -15.99     16
  21       C     0.38    11.31     8.19     -17.49      -0.14    11.16     16
  22       O    -0.66   -22.70    17.64     -37.37      -0.66   -23.36     16
  23       C     0.11     0.74     6.61      -3.07      -0.02     0.72     16
  24       H     0.19    -0.45     7.34     -51.92      -0.38    -0.83     16
  25       H     0.19    -0.49     7.65     -51.93      -0.40    -0.89     16
  26       H     0.10    -0.01     8.14     -51.92      -0.42    -0.43     16
  27       H     0.09    -0.18     7.47     -51.93      -0.39    -0.57     16
  28       H     0.10     0.77     8.14     -51.93      -0.42     0.34     16
  29       H     0.09     0.59     8.14     -51.93      -0.42     0.16     16
  30       H     0.41     5.11     7.80     -40.82      -0.32     4.79     16
  31       H     0.09     0.67     7.69     -51.93      -0.40     0.27     16
  32       H     0.09     0.65     8.14     -51.93      -0.42     0.23     16
 Total:         -1.00   -46.50   313.28                 -3.85   -50.34