REAL300032576583.mol2 35                                                        
   1       C    -0.16    -1.78     9.48      37.16       0.35    -1.43     16
   2       C     0.12     1.44     2.88     -67.93      -0.20     1.24     16
   3       C     0.11     0.75     5.14      -4.04      -0.02     0.73     16
   4       N    -0.60    -3.55     2.77    -181.57      -0.50    -4.05     16
   5       C     0.05     0.07    10.24      59.85       0.61     0.69     16
   6       C     0.46     4.22     6.29     -10.98      -0.07     4.15     16
   7       O    -0.44    -6.20     9.78       5.55       0.05    -6.14     16
   8       C     0.38     2.67     4.02      36.01       0.14     2.82     16
   9       F    -0.14    -2.91    16.66       2.25       0.04    -2.87     16
  10       F    -0.06    -1.14    13.71       2.25       0.03    -1.10     16
  11       F    -0.24    -3.72    15.88       2.25       0.04    -3.69     16
  12       F    -0.21    -3.65    15.87       2.25       0.04    -3.61     16
  13       F    -0.15    -2.47    13.71       2.25       0.03    -2.44     16
  14       N    -0.73   -12.47     4.48     -54.85      -0.25   -12.71     16
  15       C     0.61    14.25     7.77     -12.48      -0.10    14.15     16
  16       O    -0.51   -13.43    15.38     -13.00      -0.20   -13.63     16
  17       C    -0.06    -1.64     6.69     -83.92      -0.56    -2.21     16
  18       N    -0.49   -11.89    10.83      24.02       0.26   -11.63     16
  19       S     0.41     9.85    24.20    -107.50      -2.60     7.25     16
  20       N    -0.60   -17.81    12.18      28.50       0.35   -17.46     16
  21       C     0.38    12.13     8.19     -17.49      -0.14    11.99     16
  22       O    -0.66   -23.88    17.64     -37.38      -0.66   -24.53     16
  23       H     0.07     1.03     8.14     -51.93      -0.42     0.61     16
  24       H     0.06     0.64     8.14     -51.93      -0.42     0.22     16
  25       H     0.06     0.49     8.14     -51.93      -0.42     0.07     16
  26       H     0.09     1.10     7.58     -51.93      -0.39     0.71     16
  27       H     0.11     0.30     8.07     -51.93      -0.42    -0.11     16
  28       H     0.10     0.77     7.42     -51.93      -0.39     0.39     16
  29       H     0.08    -0.11     8.14     -51.93      -0.42    -0.53     16
  30       H     0.07    -0.02     6.44     -51.93      -0.33    -0.36     16
  31       H     0.10     0.13     8.07     -51.93      -0.42    -0.29     16
  32       H     0.18     0.65     6.91     -51.93      -0.36     0.29     16
  33       H     0.18     0.18     7.61     -51.93      -0.40    -0.22     16
  34       H     0.41     7.21     5.31     -40.82      -0.22     6.99     16
 Total:         -1.00   -48.77   323.78                 -3.09   -51.86