REAL300031055192.mol2 36                                                        
   1       O    -0.51    -8.65    12.46      -3.04      -0.04    -8.69     16
   2       C     0.46     1.07     7.15      87.66       0.63     1.69     16
   3       C     0.38    -1.74     5.47      71.24       0.39    -1.35     16
   4       F    -0.25    -8.62    16.66      44.97       0.75    -7.87     16
   5       F    -0.19    -3.62    15.87      44.97       0.71    -2.91     16
   6       F    -0.13    -3.20    13.72      44.97       0.62    -2.58     16
   7       F    -0.19    -3.57    15.88      44.97       0.71    -2.86     16
   8       F    -0.13    -3.21    13.70      44.97       0.62    -2.60     16
   9       N    -0.68     2.69     5.56    -463.07      -2.57     0.12     16
  10       C     0.14     0.43     5.50      86.38       0.47     0.90     16
  11       C    -0.10    -0.47     3.63     -10.27      -0.04    -0.51     16
  12       H     0.12     0.18     8.14      -2.38      -0.02     0.16     16
  13       C    -0.12    -0.87     7.38      31.12       0.23    -0.64     16
  14       C     0.09     1.94     4.33      45.58       0.20     2.14     16
  15       H     0.07     2.02     7.46      -2.39      -0.02     2.00     16
  16       N    -0.68   -19.00     5.26    -442.95      -2.33   -21.33     16
  17       C     0.60    27.01     7.81      86.69       0.68    27.68     16
  18       O    -0.56   -30.81    15.32      13.51       0.21   -30.60     16
  19       C    -0.09    -4.20     6.69      41.98       0.28    -3.92     16
  20       N    -0.46   -17.93    10.83     -77.88      -0.84   -18.77     16
  21       S     0.52    19.56    24.20     -56.49      -1.37    18.19     16
  22       N    -0.65   -35.46    12.18    -177.22      -2.16   -37.62     16
  23       C     0.35    21.69     8.19      85.12       0.70    22.39     16
  24       O    -0.73   -54.76    17.64     -73.74      -1.30   -56.06     16
  25       C    -0.14    -2.11     7.46      31.18       0.23    -1.88     16
  26       H     0.25    -4.26     7.65      -2.38      -0.02    -4.28     16
  27       H     0.25    -4.23     7.65      -2.39      -0.02    -4.25     16
  28       H     0.43    -5.84     8.47     -92.71      -0.79    -6.62     16
  29       H     0.08     0.42     7.88      -2.39      -0.02     0.40     16
  30       H     0.07     0.47     8.14      -2.39      -0.02     0.45     16
  31       H     0.10     0.42     8.14      -2.39      -0.02     0.40     16
  32       H     0.11     0.57     7.92      -2.38      -0.02     0.55     16
  33       H     0.42     8.91     8.19     -92.71      -0.76     8.15     16
  34       H     0.10     1.34     8.10      -2.39      -0.02     1.32     16
  35       H     0.06     1.15     8.14      -2.39      -0.02     1.13     16
 Total:         -1.00  -122.71   338.75                 -4.96  -127.67