REAL300033921744.mol2 36                                                        
   1       C     0.05    -0.12    10.24      59.85       0.61     0.50     16
   2       N    -0.60    -1.50     2.87    -181.57      -0.52    -2.02     16
   3       C     0.13     0.57     5.26      -4.04      -0.02     0.55     16
   4       C    -0.15    -1.27     4.15     -89.70      -0.37    -1.64     16
   5       C     0.12     1.68     7.87      -2.98      -0.02     1.66     16
   6       N    -0.64   -11.77     3.61    -179.60      -0.65   -12.42     16
   7       C     0.63    15.87     8.04     -12.48      -0.10    15.77     16
   8       O    -0.50   -14.88    16.45     -13.00      -0.21   -15.10     16
   9       C    -0.05    -1.21     6.68     -83.92      -0.56    -1.77     16
  10       N    -0.49   -11.03     9.33      24.03       0.22   -10.81     16
  11       S     0.38     8.36    24.20    -107.50      -2.60     5.76     16
  12       N    -0.60   -17.30    12.18      28.50       0.35   -16.95     16
  13       C     0.38    12.17     8.19     -17.49      -0.14    12.03     16
  14       O    -0.66   -24.43    17.64     -37.38      -0.66   -25.09     16
  15       C     0.13     1.60     7.30      -2.97      -0.02     1.58     16
  16       C     0.46     2.52     7.00     -10.99      -0.08     2.44     16
  17       O    -0.43    -4.80    11.37       5.55       0.06    -4.73     16
  18       C     0.37     1.05     4.02      36.01       0.14     1.20     16
  19       F    -0.03    -0.49    16.66       2.25       0.04    -0.45     16
  20       F    -0.16    -1.85    15.88       2.25       0.04    -1.81     16
  21       F    -0.15    -2.20    13.71       2.25       0.03    -2.17     16
  22       F    -0.29    -3.73    15.87       2.25       0.04    -3.70     16
  23       F    -0.14    -2.08    13.71       2.25       0.03    -2.05     16
  24       H     0.08    -0.29     8.14     -51.93      -0.42    -0.72     16
  25       H     0.07    -0.34     6.44     -51.93      -0.33    -0.67     16
  26       H     0.10    -0.22     8.07     -51.93      -0.42    -0.64     16
  27       H     0.10     0.63     7.12     -51.93      -0.37     0.26     16
  28       H     0.10     0.17     8.07     -51.93      -0.42    -0.25     16
  29       H     0.10     0.77     8.14     -51.93      -0.42     0.35     16
  30       H     0.08     1.14     8.14     -51.93      -0.42     0.71     16
  31       H     0.09     1.22     7.74     -51.92      -0.40     0.81     16
  32       H     0.08     0.87     8.10     -51.93      -0.42     0.45     16
  33       H     0.09     1.18     7.31     -51.93      -0.38     0.80     16
  34       H     0.18    -0.37     6.90     -51.93      -0.36    -0.73     16
  35       H     0.18    -0.38     7.61     -51.93      -0.40    -0.78     16
 Total:         -1.00   -50.50   334.02                 -4.13   -54.63