REAL300032032772.mol2 35                                                        
   1       C    -0.16    -2.74     9.48      71.98       0.68    -2.05     16
   2       C     0.13     2.62     2.57      44.99       0.12     2.73     16
   3       C    -0.12    -0.55     4.87      30.59       0.15    -0.40     16
   4       C     0.12     1.17     5.56      86.38       0.48     1.65     16
   5       N    -0.67     0.38     5.56    -463.07      -2.57    -2.19     16
   6       C     0.45     3.18     7.15      87.66       0.63     3.81     16
   7       O    -0.52   -12.59    12.46      -3.01      -0.04   -12.63     16
   8       C     0.38    -0.88     5.47      71.24       0.39    -0.49     16
   9       F    -0.24    -9.40    16.66      44.97       0.75    -8.65     16
  10       F    -0.18    -3.88    15.88      44.97       0.71    -3.17     16
  11       F    -0.14    -3.95    13.71      44.97       0.62    -3.34     16
  12       F    -0.13    -3.98    13.71      44.97       0.62    -3.37     16
  13       F    -0.19    -3.86    15.87      44.97       0.71    -3.14     16
  14       N    -0.70   -20.39     4.53    -445.73      -2.02   -22.40     16
  15       C     0.60    28.02     7.77      86.69       0.67    28.69     16
  16       O    -0.55   -31.15    15.38      13.48       0.21   -30.95     16
  17       C    -0.08    -4.39     6.69      41.98       0.28    -4.11     16
  18       N    -0.47   -19.83    10.83     -77.88      -0.84   -20.68     16
  19       S     0.51    21.11    24.20     -56.49      -1.37    19.74     16
  20       N    -0.65   -37.42    12.18    -177.21      -2.16   -39.58     16
  21       C     0.35    22.63     8.19      85.12       0.70    23.33     16
  22       O    -0.73   -56.17    17.64     -73.67      -1.30   -57.47     16
  23       H     0.08     1.04     8.14      -2.39      -0.02     1.02     16
  24       H     0.10     1.03     8.14      -2.39      -0.02     1.01     16
  25       H     0.02     0.58     8.14      -2.39      -0.02     0.56     16
  26       H     0.06     1.67     7.58      -2.39      -0.02     1.66     16
  27       H     0.13    -0.37     8.14      -2.39      -0.02    -0.39     16
  28       H     0.11    -0.10     8.14      -2.39      -0.02    -0.11     16
  29       H     0.05     0.96     7.75      -2.39      -0.02     0.94     16
  30       H     0.06     0.95     8.14      -2.39      -0.02     0.93     16
  31       H     0.44    -5.87     8.47     -92.71      -0.79    -6.65     16
  32       H     0.26    -4.11     7.65      -2.39      -0.02    -4.13     16
  33       H     0.25    -3.98     7.65      -2.39      -0.02    -4.00     16
  34       H     0.41     9.90     8.09     -92.70      -0.75     9.15     16
 Total:         -1.00  -130.37   332.40                 -4.31  -134.68