REAL300020205314.mol2 33                                                        
   1       O    -0.53   -12.10    15.33      -3.92      -0.06   -12.16     16
   2       C     0.57     9.91     7.77      86.75       0.67    10.59     16
   3       N    -0.71   -12.71     5.50    -469.83      -2.58   -15.29     16
   4       C     0.21     4.23     6.25      85.63       0.53     4.77     16
   5       C     0.00     0.02     6.73      88.55       0.60     0.61     16
   6       N    -0.46   -18.62    10.55    -180.53      -1.90   -20.52     16
   7       C     0.14     6.56     6.72      40.97       0.28     6.84     16
   8       C     0.11     6.66     8.14     137.42       1.12     7.77     16
   9       N    -0.38   -23.08    12.37     -52.24      -0.65   -23.72     16
  10       N    -0.21   -13.30    13.46      37.02       0.50   -12.80     16
  11       N    -0.21   -13.96    13.45      37.02       0.50   -13.46     16
  12       N    -0.38   -24.06    12.47     -52.24      -0.65   -24.71     16
  13       C    -0.23    -8.01    11.12      67.02       0.75    -7.27     16
  14       S     0.26     5.71    23.16     -56.49      -1.31     4.41     16
  15       C    -0.13    -1.50     5.87     -20.08      -0.12    -1.62     16
  16       C    -0.05    -0.62     9.24      22.74       0.21    -0.41     16
  17       C     0.30     4.28     9.79      22.82       0.22     4.50     16
  18       O    -0.73   -25.27    17.23    -127.47      -2.20   -27.47     16
  19       O    -0.71   -20.69    17.23    -127.47      -2.20   -22.89     16
  20       C    -0.03    -0.10     9.74      22.52       0.22     0.12     16
  21       C    -0.07     0.10    10.00      22.25       0.22     0.32     16
  22       C     0.19     1.23     7.29      22.77       0.17     1.40     16
  23       F    -0.09    -1.03    15.54      44.97       0.70    -0.33     16
  24       H     0.41     6.92     6.49     -92.71      -0.60     6.32     16
  25       H     0.10     2.22     8.14      -2.39      -0.02     2.20     16
  26       H     0.13     1.84     8.14      -2.39      -0.02     1.82     16
  27       H     0.19     6.31     8.06      -2.91      -0.02     6.28     16
  28       H     0.18     2.67     6.10      -2.91      -0.02     2.66     16
  29       H     0.34    10.37     8.90     -74.05      -0.66     9.71     16
  30       H     0.34     8.88     8.90     -74.06      -0.66     8.22     16
  31       H     0.21     0.21     7.76      -2.91      -0.02     0.19     16
  32       H     0.24    -2.55     8.06      -2.91      -0.02    -2.57     16
 Total:         -1.00   -99.48   325.50                 -7.03  -106.51