REAL300033100718.mol2 34                                                        
   1       O    -0.48   -35.31    10.88      -3.04      -0.03   -35.34     16
   2       C     0.48    28.98     6.91      87.66       0.61    29.59     16
   3       C     0.39    29.02     5.47      71.24       0.39    29.41     16
   4       F    -0.33   -40.93    16.66      44.97       0.75   -40.18     16
   5       F    -0.48   -52.36    13.72      44.97       0.62   -51.74     16
   6       F    -0.67   -78.95    15.87      44.97       0.71   -78.24     16
   7       F    -0.47   -51.10    13.70      44.97       0.62   -50.48     16
   8       F    -0.72   -85.17    15.88      44.97       0.71   -84.45     16
   9       N    -0.67   -22.10     5.67    -418.83      -2.37   -24.48     16
  10       C     0.02     0.49     3.12       4.51       0.01     0.50     16
  11       C    -0.12    -1.17    10.04      30.59       0.31    -0.86     16
  12       C    -0.11     0.06     7.05      -9.89      -0.07    -0.01     16
  13       H     0.18    -1.40     8.14      -2.38      -0.02    -1.42     16
  14       C     0.11    -0.91     6.48      86.53       0.56    -0.35     16
  15       N    -0.56    -3.38     3.40    -805.53      -2.74    -6.12     16
  16       C     0.55     2.98     7.89      86.69       0.68     3.66     16
  17       O    -0.52   -11.23    15.93      13.47       0.21   -11.02     16
  18       C     0.31    -4.20     6.64      41.98       0.28    -3.92     16
  19       N    -0.61    16.76     8.03     -77.93      -0.63    16.13     16
  20       S     1.49   -57.97    24.20     -56.49      -1.37   -59.34     16
  21       N    -0.51    11.86    12.18    -177.22      -2.16     9.70     16
  22       C     0.37    -4.47     8.19      85.12       0.70    -3.77     16
  23       O    -0.18    -0.56    17.64     -73.62      -1.30    -1.86     16
  24       C     0.13     3.26     5.93      86.07       0.51     3.77     16
  25       H     0.13     8.67     7.65      -2.38      -0.02     8.65     16
  26       H     0.13     8.36     7.65      -2.39      -0.02     8.34     16
  27       H     0.42     9.17     8.83     -92.71      -0.82     8.35     16
  28       H     0.12     1.25     8.14      -2.39      -0.02     1.23     16
  29       H     0.12     0.77     8.14      -2.38      -0.02     0.75     16
  30       H     0.17    -3.41     5.32      -2.39      -0.01    -3.42     16
  31       H     0.14    -1.85     8.14      -2.39      -0.02    -1.87     16
  32       H     0.11     2.48     8.10      -2.39      -0.02     2.46     16
  33       H     0.05     2.05     6.81      -2.39      -0.02     2.03     16
 Total:         -1.00  -330.34   318.40                 -3.97  -334.31