REAL300033529803.mol2 36                                                        
   1       C    -0.16    -2.53     9.44      71.98       0.68    -1.85     16
   2       C     0.15     2.19     2.29      44.99       0.10     2.29     16
   3       H     0.08     1.48     7.48      -2.38      -0.02     1.46     16
   4       N    -0.69   -15.32     4.94    -445.72      -2.20   -17.52     16
   5       C     0.61    23.95     7.77      86.69       0.67    24.62     16
   6       O    -0.55   -27.50    15.38      13.49       0.21   -27.29     16
   7       C    -0.08    -3.68     6.69      41.98       0.28    -3.40     16
   8       N    -0.46   -16.54    10.83     -77.90      -0.84   -17.38     16
   9       S     0.51    18.30    24.20     -56.49      -1.37    16.93     16
  10       N    -0.65   -34.45    12.18    -177.22      -2.16   -36.61     16
  11       C     0.35    20.65     8.19      85.12       0.70    21.35     16
  12       O    -0.73   -52.71    17.64     -73.71      -1.30   -54.01     16
  13       C    -0.11    -0.36     3.36     -10.14      -0.03    -0.40     16
  14       C     0.13     0.57     8.30      86.48       0.72     1.29     16
  15       N    -0.62    -2.07     3.61    -836.58      -3.02    -5.09     16
  16       C     0.49     4.19     7.38      87.66       0.65     4.84     16
  17       O    -0.51   -11.05    13.19      -3.03      -0.04   -11.09     16
  18       C     0.38     0.81     5.22      71.23       0.37     1.18     16
  19       F    -0.24    -9.05    16.66      44.97       0.75    -8.30     16
  20       F    -0.19    -4.51    15.88      44.97       0.71    -3.80     16
  21       F    -0.13    -3.55    13.71      44.97       0.62    -2.93     16
  22       F    -0.19    -4.22    15.87      44.97       0.71    -3.50     16
  23       F    -0.14    -3.92    13.71      44.97       0.62    -3.30     16
  24       C     0.09    -0.06     8.05      86.48       0.70     0.64     16
  25       H     0.07     0.92     8.14      -2.39      -0.02     0.90     16
  26       H     0.03     0.65     8.14      -2.39      -0.02     0.64     16
  27       H     0.09     0.92     8.09      -2.39      -0.02     0.90     16
  28       H     0.42     6.80     8.09     -92.71      -0.75     6.05     16
  29       H     0.14    -0.12     8.14      -2.38      -0.02    -0.14     16
  30       H     0.10     0.47     8.14      -2.39      -0.02     0.45     16
  31       H     0.10     0.54     8.03      -2.38      -0.02     0.52     16
  32       H     0.24    -2.04     7.65      -2.38      -0.02    -2.05     16
  33       H     0.25    -2.56     7.65      -2.39      -0.02    -2.58     16
  34       H     0.11     0.11     8.10      -2.38      -0.02     0.10     16
  35       H     0.14    -1.22     8.14      -2.39      -0.02    -1.24     16
 Total:         -1.00  -114.92   340.27                 -3.44  -118.36