REAL300032548055.mol2 32                                                        
   1       C    -0.16    -2.63     9.48      71.98       0.68    -1.95     16
   2       C     0.13     2.07     2.73      44.99       0.12     2.19     16
   3       H     0.09     1.68     7.58      -2.39      -0.02     1.67     16
   4       C     0.13     1.05     5.23      86.38       0.45     1.50     16
   5       N    -0.69    -3.34     5.39    -463.07      -2.50    -5.84     16
   6       C     0.47     3.80     7.15      87.66       0.63     4.43     16
   7       O    -0.50    -9.83    12.46      -3.02      -0.04    -9.87     16
   8       C     0.38     0.88     5.47      71.23       0.39     1.27     16
   9       F    -0.24    -9.16    16.66      44.97       0.75    -8.41     16
  10       F    -0.13    -3.56    13.71      44.97       0.62    -2.95     16
  11       F    -0.19    -4.55    15.88      44.97       0.71    -3.84     16
  12       F    -0.19    -4.52    15.87      44.97       0.71    -3.81     16
  13       F    -0.13    -3.56    13.71      44.97       0.62    -2.95     16
  14       N    -0.70   -15.60     4.51    -445.71      -2.01   -17.61     16
  15       C     0.61    23.32     7.77      86.69       0.67    23.99     16
  16       O    -0.55   -26.16    15.38      13.46       0.21   -25.96     16
  17       C    -0.08    -3.62     6.69      41.98       0.28    -3.34     16
  18       N    -0.47   -16.50    10.83     -77.89      -0.84   -17.35     16
  19       S     0.51    18.24    24.20     -56.49      -1.37    16.87     16
  20       N    -0.65   -33.91    12.18    -177.22      -2.16   -36.06     16
  21       C     0.35    20.36     8.19      85.12       0.70    21.05     16
  22       O    -0.73   -51.66    17.64     -73.67      -1.30   -52.96     16
  23       H     0.10     1.06     8.14      -2.39      -0.02     1.04     16
  24       H     0.07     1.03     8.14      -2.39      -0.02     1.01     16
  25       H     0.04     0.93     8.14      -2.39      -0.02     0.91     16
  26       H     0.09     0.79     8.14      -2.39      -0.02     0.77     16
  27       H     0.11     0.77     8.14      -2.39      -0.02     0.75     16
  28       H     0.43     0.54     8.14     -92.71      -0.75    -0.21     16
  29       H     0.25    -2.26     7.65      -2.39      -0.02    -2.28     16
  30       H     0.24    -2.03     7.65      -2.38      -0.02    -2.04     16
  31       H     0.42     7.45     8.09     -92.71      -0.75     6.70     16
 Total:         -1.00  -108.93   310.95                 -4.33  -113.25