REAL300032107896.mol2 38                                                        
   1       C    -0.16     0.71     9.91      71.98       0.71     1.42     16
   2       C    -0.15     0.81     6.26      30.60       0.19     1.01     16
   3       C     0.07    -0.36     5.21      86.38       0.45     0.09     16
   4       N    -0.57    -2.45     2.47    -821.82      -2.03    -4.48     16
   5       C     0.12     1.20     5.52      86.38       0.48     1.68     16
   6       C     0.10     2.29     6.00      86.38       0.52     2.81     16
   7       N    -0.70   -21.48     5.55    -466.31      -2.59   -24.07     16
   8       C     0.60    28.34     7.81      86.69       0.68    29.02     16
   9       O    -0.55   -31.28    15.72      13.49       0.21   -31.06     16
  10       C    -0.09    -4.38     6.69      41.98       0.28    -4.10     16
  11       N    -0.47   -19.54    10.83     -77.90      -0.84   -20.39     16
  12       S     0.52    20.91    24.20     -56.49      -1.37    19.55     16
  13       N    -0.64   -36.55    12.18    -177.23      -2.16   -38.71     16
  14       C     0.35    22.39     8.19      85.12       0.70    23.09     16
  15       O    -0.73   -55.53    17.64     -73.74      -1.30   -56.83     16
  16       C     0.46     4.71     7.00      87.66       0.61     5.32     16
  17       O    -0.50   -12.25    12.04      -3.04      -0.04   -12.28     16
  18       C     0.37     1.00     4.02      71.24       0.29     1.29     16
  19       F    -0.24    -9.31    16.66      44.97       0.75    -8.56     16
  20       F    -0.19    -4.54    15.88      44.97       0.71    -3.83     16
  21       F    -0.13    -3.76    13.71      44.97       0.62    -3.15     16
  22       F    -0.18    -4.05    15.88      44.97       0.71    -3.34     16
  23       F    -0.14    -4.42    13.71      44.97       0.62    -3.80     16
  24       H     0.07    -0.54     8.14      -2.39      -0.02    -0.56     16
  25       H     0.06    -0.17     8.14      -2.39      -0.02    -0.19     16
  26       H     0.06    -0.14     8.14      -2.39      -0.02    -0.16     16
  27       H     0.08    -0.66     7.22      -2.39      -0.02    -0.68     16
  28       H     0.07    -0.21     8.14      -2.39      -0.02    -0.23     16
  29       H     0.12    -0.58     8.07      -2.39      -0.02    -0.60     16
  30       H     0.12    -1.63     6.44      -2.39      -0.02    -1.64     16
  31       H     0.09     1.26     7.42      -2.39      -0.02     1.24     16
  32       H     0.14     0.45     8.07      -2.38      -0.02     0.43     16
  33       H     0.08     1.65     8.14      -2.39      -0.02     1.63     16
  34       H     0.04     1.22     8.14      -2.39      -0.02     1.20     16
  35       H     0.42    10.47     7.96     -92.70      -0.74     9.73     16
  36       H     0.24    -2.22     6.91      -2.39      -0.02    -2.24     16
  37       H     0.25    -2.51     6.69      -2.39      -0.02    -2.52     16
 Total:         -1.00  -121.13   350.71                 -2.78  -123.90