REAL300019858702.mol2 39                                                        
   1       C    -0.14    -2.96     9.19      71.98       0.66    -2.29     16
   2       C    -0.10    -2.56     3.14     -10.79      -0.03    -2.60     16
   3       C    -0.13    -3.06     7.85      71.98       0.56    -2.49     16
   4       C     0.12     3.96     4.96      86.38       0.43     4.39     16
   5       N    -0.58   -20.39     2.41    -829.73      -2.00   -22.39     16
   6       C     0.19     7.31     5.60      85.63       0.48     7.79     16
   7       C     0.03     1.71     7.16     138.59       0.99     2.70     16
   8       N    -0.38   -22.07    10.70     -51.30      -0.55   -22.62     16
   9       N    -0.22   -13.83    13.47      37.02       0.50   -13.33     16
  10       N    -0.22   -13.53    13.47      37.02       0.50   -13.04     16
  11       N    -0.38   -21.94    12.13     -51.30      -0.62   -22.56     16
  12       C     0.57    18.79     5.64      86.75       0.49    19.28     16
  13       O    -0.53   -19.07    14.06      -3.92      -0.06   -19.12     16
  14       C    -0.14    -3.78     5.51     -20.08      -0.11    -3.89     16
  15       C    -0.10    -3.17     7.13      22.74       0.16    -3.01     16
  16       C     0.30     8.46     9.79      22.82       0.22     8.68     16
  17       O    -0.67   -32.90    17.23    -127.47      -2.20   -35.10     16
  18       O    -0.74   -29.32    17.23    -127.47      -2.20   -31.51     16
  19       C    -0.03    -0.36     9.74      22.52       0.22    -0.14     16
  20       C    -0.07    -0.54    10.00      22.25       0.22    -0.32     16
  21       C     0.18     3.14     7.25      22.77       0.17     3.30     16
  22       F    -0.09    -1.74    16.10      44.97       0.72    -1.02     16
  23       H     0.05     1.18     8.14      -2.39      -0.02     1.16     16
  24       H     0.08     1.33     8.14      -2.38      -0.02     1.31     16
  25       H     0.05     1.20     8.14      -2.39      -0.02     1.18     16
  26       H     0.08     1.89     8.14      -2.39      -0.02     1.87     16
  27       H     0.05     1.28     7.64      -2.39      -0.02     1.26     16
  28       H     0.04     0.95     6.55      -2.38      -0.02     0.94     16
  29       H     0.07     1.35     8.14      -2.39      -0.02     1.33     16
  30       H     0.07     2.63     7.44      -2.39      -0.02     2.62     16
  31       H     0.07     2.49     7.38      -2.39      -0.02     2.47     16
  32       H     0.11     3.74     8.14      -2.39      -0.02     3.72     16
  33       H     0.12     4.27     3.48      -5.96      -0.02     4.25     16
  34       H     0.20     8.16     2.75      -2.91      -0.01     8.16     16
  35       H     0.33    14.79     8.90     -74.06      -0.66    14.13     16
  36       H     0.33    12.12     8.90     -74.05      -0.66    11.46     16
  37       H     0.22     2.10     7.76      -2.91      -0.02     2.08     16
  38       H     0.25    -1.01     8.06      -2.91      -0.02    -1.04     16
 Total:         -1.00   -89.38   327.49                 -3.01   -92.39