REAL300031267673.mol2 38                                                        
   1       C    -0.16    -0.97     9.48      71.98       0.68    -0.28     16
   2       C     0.14     1.50     2.57      44.99       0.12     1.61     16
   3       C    -0.12    -0.67     4.43      30.59       0.14    -0.54     16
   4       C     0.13     2.44     2.57      44.99       0.12     2.55     16
   5       C    -0.16    -2.74     9.48      71.98       0.68    -2.06     16
   6       N    -0.70   -16.75     3.80    -445.73      -1.69   -18.44     16
   7       C     0.60    25.30     7.77      86.69       0.67    25.97     16
   8       O    -0.55   -30.23    15.38      13.49       0.21   -30.02     16
   9       C    -0.08    -3.77     6.69      41.98       0.28    -3.49     16
  10       N    -0.47   -15.46    10.61     -77.92      -0.83   -16.29     16
  11       S     0.52    18.53    24.20     -56.49      -1.37    17.16     16
  12       N    -0.65   -35.46    12.18    -177.22      -2.16   -37.62     16
  13       C     0.35    21.40     8.19      85.12       0.70    22.10     16
  14       O    -0.74   -55.67    17.64     -73.77      -1.30   -56.97     16
  15       N    -0.68    -7.85     3.80    -442.54      -1.68    -9.53     16
  16       C     0.47     9.78     7.12      87.66       0.62    10.41     16
  17       O    -0.49   -15.33    12.13      -3.03      -0.04   -15.37     16
  18       C     0.38     7.53     5.47      71.24       0.39     7.92     16
  19       F    -0.06    -2.83    16.66      44.97       0.75    -2.08     16
  20       F    -0.24   -11.24    13.71      44.97       0.62   -10.62     16
  21       F    -0.26    -8.53    15.87      44.97       0.71    -7.81     16
  22       F    -0.22    -9.51    15.88      44.97       0.71    -8.79     16
  23       F    -0.07    -2.48    13.71      44.97       0.62    -1.86     16
  24       H     0.09     0.34     8.14      -2.39      -0.02     0.32     16
  25       H     0.04     0.51     8.14      -2.39      -0.02     0.49     16
  26       H     0.09     0.09     8.14      -2.39      -0.02     0.07     16
  27       H     0.07     1.28     7.58      -2.39      -0.02     1.26     16
  28       H     0.14     0.15     8.14      -2.39      -0.02     0.13     16
  29       H     0.12    -0.12     8.14      -2.39      -0.02    -0.14     16
  30       H     0.06     1.55     7.58      -2.39      -0.02     1.53     16
  31       H     0.02     0.54     8.14      -2.39      -0.02     0.52     16
  32       H     0.09     1.09     8.14      -2.39      -0.02     1.07     16
  33       H     0.08     1.01     8.14      -2.39      -0.02     0.99     16
  34       H     0.41     6.28     6.00     -92.71      -0.56     5.73     16
  35       H     0.42     1.78     6.51     -92.71      -0.60     1.18     16
  36       H     0.16     3.43     7.42      -2.39      -0.02     3.41     16
  37       H     0.26     0.85     7.65      -2.39      -0.02     0.83     16
 Total:         -1.00  -114.24   347.20                 -2.43  -116.68