REAL300031055192.mol2 36                                                        
   1       O    -0.46    -4.42    12.46       5.55       0.07    -4.35     16
   2       C     0.46     1.85     7.15     -10.98      -0.08     1.77     16
   3       C     0.36     0.54     5.47      36.01       0.20     0.73     16
   4       F     0.00     0.04    16.66       2.25       0.04     0.07     16
   5       F    -0.20    -2.18    15.87       2.25       0.04    -2.14     16
   6       F    -0.07    -0.88    13.72       2.25       0.03    -0.85     16
   7       F    -0.29    -3.26    15.88       2.25       0.04    -3.22     16
   8       F    -0.20    -2.57    13.70       2.25       0.03    -2.54     16
   9       N    -0.70    -1.02     5.56     -60.30      -0.33    -1.36     16
  10       C     0.13     0.53     5.50      -4.04      -0.02     0.51     16
  11       C    -0.13    -0.63     3.63     -89.81      -0.33    -0.95     16
  12       H     0.10     0.43     8.14     -51.93      -0.42     0.01     16
  13       C    -0.14    -0.88     7.38     -25.92      -0.19    -1.07     16
  14       C     0.13     1.41     4.33     -67.02      -0.29     1.12     16
  15       H     0.11     1.42     7.46     -51.93      -0.39     1.03     16
  16       N    -0.71   -10.71     5.26     -53.98      -0.28   -11.00     16
  17       C     0.61    13.55     7.81     -12.48      -0.10    13.46     16
  18       O    -0.50   -13.18    15.32     -13.00      -0.20   -13.38     16
  19       C    -0.05    -1.34     6.69     -83.92      -0.56    -1.90     16
  20       N    -0.50   -10.54    10.83      24.03       0.26   -10.28     16
  21       S     0.39     8.20    24.20    -107.50      -2.60     5.60     16
  22       N    -0.60   -16.60    12.18      28.50       0.35   -16.25     16
  23       C     0.38    11.58     8.19     -17.49      -0.14    11.44     16
  24       O    -0.66   -23.35    17.64     -37.38      -0.66   -24.00     16
  25       C    -0.14    -1.19     7.46     -25.82      -0.19    -1.38     16
  26       H     0.18    -0.56     7.65     -51.92      -0.40    -0.96     16
  27       H     0.18    -0.60     7.65     -51.93      -0.40    -1.00     16
  28       H     0.41    -0.90     8.47     -40.82      -0.35    -1.25     16
  29       H     0.08     0.40     7.88     -51.93      -0.41    -0.01     16
  30       H     0.08     0.41     8.14     -51.93      -0.42    -0.01     16
  31       H     0.08     0.43     8.14     -51.93      -0.42     0.01     16
  32       H     0.10     0.49     7.92     -51.93      -0.41     0.08     16
  33       H     0.40     5.16     8.19     -40.82      -0.33     4.83     16
  34       H     0.09     0.68     8.10     -51.93      -0.42     0.26     16
  35       H     0.08     0.81     8.14     -51.93      -0.42     0.39     16
 Total:         -1.00   -46.86   338.75                 -4.63   -51.48