REAL300031954870.mol2 34                                                        
   1       O    -0.45    -4.34    12.03       5.55       0.07    -4.27     16
   2       C     0.47     1.67     7.15     -10.98      -0.08     1.59     16
   3       C     0.39     0.15     5.47      36.01       0.20     0.35     16
   4       F    -0.14    -2.29    16.66       2.25       0.04    -2.25     16
   5       F    -0.21    -2.35    15.87       2.25       0.04    -2.32     16
   6       F    -0.12    -1.55    13.72       2.25       0.03    -1.52     16
   7       F    -0.21    -2.30    15.88       2.25       0.04    -2.26     16
   8       F    -0.12    -1.58    13.70       2.25       0.03    -1.55     16
   9       N    -0.68    -0.97     5.56     -53.80      -0.30    -1.27     16
  10       C     0.11     0.61     5.93     -67.93      -0.40     0.21     16
  11       H     0.15     1.12     7.40     -51.93      -0.38     0.73     16
  12       C    -0.17    -1.29     6.97     -89.30      -0.62    -1.91     16
  13       H     0.13     0.69     8.14     -51.92      -0.42     0.26     16
  14       C     0.14     1.64     6.85      -2.41      -0.02     1.62     16
  15       N    -0.62   -10.24     3.32    -168.37      -0.56   -10.80     16
  16       C     0.63    14.57     7.90     -12.48      -0.10    14.48     16
  17       O    -0.50   -13.53    15.99     -13.01      -0.21   -13.74     16
  18       C    -0.05    -1.19     6.64     -83.92      -0.56    -1.75     16
  19       N    -0.50   -10.38     8.03      24.03       0.19   -10.19     16
  20       S     0.39     8.09    24.20    -107.50      -2.60     5.48     16
  21       N    -0.59   -16.48    12.18      28.50       0.35   -16.14     16
  22       C     0.38    11.62     8.19     -17.49      -0.14    11.48     16
  23       O    -0.66   -23.39    17.64     -37.38      -0.66   -24.05     16
  24       C     0.12     1.51     6.47      -0.54       0.00     1.51     16
  25       C    -0.17    -1.22     7.33     -87.42      -0.64    -1.86     16
  26       H     0.13     0.70     8.14     -51.93      -0.42     0.27     16
  27       H     0.19    -0.95     7.65     -51.92      -0.40    -1.35     16
  28       H     0.19    -0.96     7.65     -51.93      -0.40    -1.36     16
  29       H     0.41    -1.23     8.83     -40.82      -0.36    -1.59     16
  30       H     0.09     1.22     7.88     -51.93      -0.41     0.81     16
  31       H     0.07     0.82     8.14     -51.93      -0.42     0.40     16
  32       H     0.12     1.78     5.31     -51.93      -0.28     1.50     16
  33       H     0.07     0.83     8.14     -51.93      -0.42     0.41     16
 Total:         -1.00   -49.24   320.96                 -4.99   -54.23