REAL300032973584.mol2 35                                                        
   1       C    -0.16    -0.64     9.48      71.98       0.68     0.04     16
   2       C     0.15     0.86     2.57      44.99       0.12     0.98     16
   3       H     0.08     0.93     7.58      -2.39      -0.02     0.91     16
   4       C    -0.12    -0.65     4.87      30.59       0.15    -0.50     16
   5       C     0.11     1.97     5.56      86.38       0.48     2.45     16
   6       N    -0.70   -18.61     5.55    -466.30      -2.59   -21.20     16
   7       C     0.60    26.24     7.81      86.69       0.68    26.92     16
   8       O    -0.56   -29.86    15.72      13.50       0.21   -29.64     16
   9       C    -0.08    -4.11     6.69      41.98       0.28    -3.83     16
  10       N    -0.47   -18.19    10.83     -77.91      -0.84   -19.03     16
  11       S     0.51    19.65    24.20     -56.49      -1.37    18.29     16
  12       N    -0.65   -35.57    12.18    -177.23      -2.16   -37.73     16
  13       C     0.35    21.60     8.19      85.12       0.70    22.30     16
  14       O    -0.73   -54.42    17.64     -73.79      -1.30   -55.72     16
  15       N    -0.68    -0.62     4.53    -442.54      -2.00    -2.62     16
  16       C     0.46     3.42     7.12      87.66       0.62     4.04     16
  17       O    -0.51   -10.51    12.13      -3.03      -0.04   -10.54     16
  18       C     0.37     0.43     5.47      71.24       0.39     0.82     16
  19       F    -0.24    -9.48    16.66      44.97       0.75    -8.74     16
  20       F    -0.13    -3.44    13.71      44.97       0.62    -2.82     16
  21       F    -0.19    -4.91    15.88      44.97       0.71    -4.19     16
  22       F    -0.13    -4.05    13.71      44.97       0.62    -3.44     16
  23       F    -0.19    -4.23    15.87      44.97       0.71    -3.51     16
  24       H     0.08     0.31     8.14      -2.39      -0.02     0.29     16
  25       H     0.05     0.41     8.14      -2.39      -0.02     0.40     16
  26       H     0.09    -0.03     8.14      -2.39      -0.02    -0.05     16
  27       H     0.11     0.49     8.14      -2.39      -0.02     0.47     16
  28       H     0.12    -0.06     8.14      -2.39      -0.02    -0.08     16
  29       H     0.07     1.18     7.75      -2.39      -0.02     1.16     16
  30       H     0.05     1.08     8.14      -2.39      -0.02     1.06     16
  31       H     0.42     8.77     7.96     -92.71      -0.74     8.03     16
  32       H     0.43    -3.51     8.60     -92.71      -0.80    -4.31     16
  33       H     0.24    -2.09     7.65      -2.39      -0.02    -2.11     16
  34       H     0.26    -3.27     7.65      -2.39      -0.02    -3.28     16
 Total:         -1.00  -120.90   332.40                 -4.31  -125.21