REAL300000674715.mol2 38                                                        
   1       O    -0.66   -21.88    16.41     -24.20      -0.40   -22.28     16
   2       C     0.49    14.28     5.57      36.00       0.20    14.48     16
   3       O    -0.70   -22.59    18.00     -20.24      -0.36   -22.95     16
   4       C    -0.18    -3.75     2.95     -89.21      -0.26    -4.02     16
   5       H     0.08     1.61     7.79     -51.93      -0.40     1.21     16
   6       C     0.09     1.74     4.69     -23.72      -0.11     1.63     16
   7       H     0.12     2.51     8.14     -51.93      -0.42     2.09     16
   8       C    -0.15    -2.09     6.53     -24.16      -0.16    -2.25     16
   9       C    -0.14    -1.71     6.55     -24.17      -0.16    -1.87     16
  10       C     0.08     1.25     4.58     -23.51      -0.11     1.14     16
  11       H     0.13     1.68     8.14     -51.93      -0.42     1.26     16
  12       O    -0.34    -7.14    11.35     -36.12      -0.41    -7.55     16
  13       C    -0.11    -1.89     2.88     -88.99      -0.26    -2.15     16
  14       H     0.09     1.16     7.85     -51.93      -0.41     0.75     16
  15       C     0.54     9.89     4.99     -10.98      -0.05     9.84     16
  16       O    -0.48    -9.97    13.03      -2.07      -0.03   -10.00     16
  17       N    -0.66   -10.12     5.34      -9.86      -0.05   -10.17     16
  18       C     0.23     3.36     6.32     -83.70      -0.53     2.84     16
  19       C    -0.11    -1.33     8.71     -39.39      -0.34    -1.68     16
  20       C    -0.04    -0.38    10.04     -39.61      -0.40    -0.78     16
  21       C    -0.14    -1.50     8.62     -39.55      -0.34    -1.84     16
  22       C     0.39     5.86     4.82     -39.61      -0.19     5.67     16
  23       F    -0.16    -3.64    16.66       2.25       0.04    -3.60     16
  24       F    -0.18    -3.39    15.31       2.25       0.03    -3.36     16
  25       F    -0.13    -2.94    15.29       2.25       0.03    -2.91     16
  26       F    -0.17    -3.35    15.30       2.25       0.03    -3.31     16
  27       F    -0.18    -3.50    15.33       2.25       0.03    -3.46     16
  28       C    -0.15    -2.20     8.53     -39.39      -0.34    -2.54     16
  29       H     0.07     0.92     7.80     -51.93      -0.40     0.51     16
  30       H     0.07     0.87     8.14     -51.93      -0.42     0.44     16
  31       H     0.07     0.71     7.85     -51.93      -0.41     0.30     16
  32       H     0.07     0.78     8.14     -51.93      -0.42     0.36     16
  33       H     0.42     5.13     8.82     -40.82      -0.36     4.77     16
  34       H     0.18     2.13     6.11     -52.48      -0.32     1.81     16
  35       H     0.18     0.81     8.06     -52.49      -0.42     0.39     16
  36       H     0.18     1.65     7.39     -52.49      -0.39     1.26     16
  37       H     0.18     2.78     7.39     -52.49      -0.39     2.39     16
 Total:         -1.00   -44.23   329.43                 -4.35   -48.59