REAL300032287452.mol2 36                                                        
   1       C     0.06     0.81     8.50      59.85       0.51     1.31     16
   2       N    -0.61    -9.07     2.88    -173.07      -0.50    -9.57     16
   3       C     0.61    13.19     7.66     -12.48      -0.10    13.10     16
   4       O    -0.50   -12.59    15.11     -12.91      -0.20   -12.79     16
   5       C    -0.05    -1.24     6.55     -83.92      -0.55    -1.79     16
   6       N    -0.49   -10.00     7.36      24.02       0.18    -9.83     16
   7       S     0.39     7.91    24.20    -107.50      -2.60     5.30     16
   8       N    -0.59   -16.26    12.18      28.50       0.35   -15.91     16
   9       C     0.38    11.39     8.18     -17.48      -0.14    11.25     16
  10       O    -0.66   -22.98    17.65     -37.28      -0.66   -23.63     16
  11       C     0.14     1.43     3.35     -66.09      -0.22     1.20     16
  12       C    -0.14    -0.78     6.58     -24.58      -0.16    -0.94     16
  13       C     0.08     0.15     6.69      -2.52      -0.02     0.14     16
  14       N    -0.60    -3.48     3.33    -170.52      -0.57    -4.05     16
  15       C     0.48     3.46     7.17     -10.98      -0.08     3.38     16
  16       O    -0.44    -5.73    12.79       5.56       0.07    -5.65     16
  17       C     0.37     1.37     4.48      36.01       0.16     1.53     16
  18       F    -0.03    -0.56    16.68       2.25       0.04    -0.52     16
  19       F    -0.28    -3.65    15.88       2.25       0.04    -3.61     16
  20       F    -0.16    -2.27    13.70       2.25       0.03    -2.24     16
  21       F    -0.16    -1.81    15.88       2.25       0.04    -1.77     16
  22       F    -0.15    -2.20    13.71       2.25       0.03    -2.17     16
  23       C     0.10     0.93     6.51      -3.07      -0.02     0.91     16
  24       H     0.05     0.63     8.10     -51.93      -0.42     0.21     16
  25       H     0.06     0.50     6.04     -51.93      -0.31     0.19     16
  26       H     0.12     1.81     4.90     -54.69      -0.27     1.55     16
  27       H     0.12     1.48     7.01     -51.93      -0.36     1.12     16
  28       H     0.10     0.50     8.14     -51.93      -0.42     0.08     16
  29       H     0.09     0.48     6.06     -51.93      -0.31     0.16     16
  30       H     0.09     0.03     8.14     -51.93      -0.42    -0.39     16
  31       H     0.08    -0.17     7.47     -51.93      -0.39    -0.56     16
  32       H     0.18    -0.19     7.65     -51.93      -0.40    -0.59     16
  33       H     0.18    -0.32     7.35     -51.93      -0.38    -0.70     16
  34       H     0.09     0.93     7.15     -51.93      -0.37     0.55     16
  35       H     0.09     0.94     8.14     -51.93      -0.42     0.51     16
 Total:         -1.00   -45.38   323.18                 -3.99   -49.37