REAL300032132960.mol2 32                                                        
   1       C     0.09     1.84     9.19     127.77       1.17     3.02     16
   2       N    -0.60   -16.51     2.87    -850.57      -2.44   -18.96     16
   3       C     0.11     1.67     5.46      86.38       0.47     2.14     16
   4       C     0.11     1.76     6.00      86.38       0.52     2.28     16
   5       N    -0.67    -2.81     5.56    -463.06      -2.57    -5.39     16
   6       C     0.46     4.44     7.15      87.66       0.63     5.07     16
   7       O    -0.52   -13.27    12.46      -3.04      -0.04   -13.30     16
   8       C     0.38    -0.04     5.47      71.24       0.39     0.35     16
   9       F    -0.24    -9.45    16.66      44.97       0.75    -8.70     16
  10       F    -0.13    -3.76    13.71      44.97       0.62    -3.14     16
  11       F    -0.19    -4.32    15.88      44.97       0.71    -3.61     16
  12       F    -0.14    -4.40    13.71      44.97       0.62    -3.79     16
  13       F    -0.18    -3.85    15.87      44.97       0.71    -3.13     16
  14       C     0.60    26.45     7.64      86.69       0.66    27.11     16
  15       O    -0.55   -29.16    15.38      13.29       0.20   -28.96     16
  16       C    -0.09    -4.30     6.45      41.98       0.27    -4.03     16
  17       N    -0.45   -17.95     7.65     -77.90      -0.60   -18.55     16
  18       S     0.50    19.60    24.20     -56.49      -1.37    18.23     16
  19       N    -0.65   -36.37    12.18    -177.24      -2.16   -38.53     16
  20       C     0.35    22.03     8.18      85.12       0.70    22.73     16
  21       O    -0.73   -55.12    17.66     -73.84      -1.30   -56.42     16
  22       H     0.07     1.33     8.07      -2.39      -0.02     1.32     16
  23       H     0.06     1.74     5.85      -2.39      -0.01     1.72     16
  24       H     0.11     1.22     8.03      -2.39      -0.02     1.20     16
  25       H     0.09     1.50     7.50      -2.39      -0.02     1.48     16
  26       H     0.15     0.48     8.07      -2.39      -0.02     0.46     16
  27       H     0.09     1.35     8.14      -2.39      -0.02     1.33     16
  28       H     0.04     1.03     8.14      -2.39      -0.02     1.01     16
  29       H     0.44    -3.51     8.47     -92.71      -0.79    -4.30     16
  30       H     0.25    -3.04     7.65      -2.39      -0.02    -3.06     16
  31       H     0.26    -3.89     7.65      -2.39      -0.02    -3.91     16
 Total:         -1.00  -125.32   306.90                 -3.01  -128.33