REAL300034086929.mol2 36                                                        
   1       C    -0.17    -1.09     8.71      37.16       0.32    -0.76     16
   2       C     0.15     0.82     3.77     -66.42      -0.25     0.57     16
   3       C    -0.14    -0.75     6.13     -24.58      -0.15    -0.90     16
   4       C     0.15     1.23     3.32     -66.09      -0.22     1.01     16
   5       N    -0.72    -9.04     5.10     -53.08      -0.27    -9.32     16
   6       C     0.61    11.96     7.81     -12.48      -0.10    11.86     16
   7       O    -0.50   -11.55    15.36     -13.00      -0.20   -11.74     16
   8       C    -0.06    -1.36     6.69     -83.92      -0.56    -1.92     16
   9       N    -0.50    -9.93    10.83      24.03       0.26    -9.67     16
  10       S     0.40     8.06    24.20    -107.50      -2.60     5.46     16
  11       N    -0.60   -15.95    12.18      28.50       0.35   -15.60     16
  12       C     0.38    11.01     8.19     -17.49      -0.14    10.87     16
  13       O    -0.66   -22.28    17.64     -37.40      -0.66   -22.94     16
  14       C     0.06     0.33     6.24      -3.06      -0.02     0.32     16
  15       N    -0.60    -3.43     3.24    -163.04      -0.53    -3.96     16
  16       C     0.48     3.41     6.95     -10.98      -0.08     3.33     16
  17       O    -0.45    -5.00    10.12       5.55       0.06    -4.94     16
  18       C     0.38     1.99     4.66      36.01       0.17     2.16     16
  19       F    -0.14    -2.49    16.66       2.25       0.04    -2.45     16
  20       F    -0.12    -1.81    13.71       2.25       0.03    -1.78     16
  21       F    -0.20    -2.77    15.87       2.25       0.04    -2.74     16
  22       F    -0.12    -1.80    13.71       2.25       0.03    -1.77     16
  23       F    -0.20    -2.83    15.88       2.25       0.04    -2.79     16
  24       H     0.06     0.41     8.14     -51.93      -0.42    -0.02     16
  25       H     0.07     0.36     8.14     -51.93      -0.42    -0.07     16
  26       H     0.09     0.79     5.89     -51.93      -0.31     0.48     16
  27       H     0.09     0.48     8.14     -51.93      -0.42     0.06     16
  28       H     0.10     0.48     8.14     -51.93      -0.42     0.05     16
  29       H     0.09     0.46     7.92     -51.93      -0.41     0.04     16
  30       H     0.12     1.13     7.55     -51.93      -0.39     0.74     16
  31       H     0.41     4.53     8.05     -40.82      -0.33     4.21     16
  32       H     0.09     0.48     8.14     -51.93      -0.42     0.06     16
  33       H     0.09     0.43     8.03     -51.93      -0.42     0.01     16
  34       H     0.19     0.18     7.65     -51.93      -0.40    -0.22     16
  35       H     0.19     0.18     7.65     -51.93      -0.40    -0.22     16
 Total:         -1.00   -43.35   330.40                 -4.24   -47.59