REAL300013493688.mol2 31                                                        
   1       O    -0.69   -23.25    16.88     -20.23      -0.34   -23.59     16
   2       C     0.50    15.31     8.05      36.00       0.29    15.60     16
   3       O    -0.70   -24.16    18.00     -20.22      -0.36   -24.52     16
   4       C    -0.20    -4.28     5.89     -27.88      -0.16    -4.44     16
   5       C     0.15     2.90     4.96      -4.04      -0.02     2.88     16
   6       N    -0.73    -9.14     5.56     -65.23      -0.36    -9.50     16
   7       C     0.70     8.26     8.41     -86.92      -0.73     7.53     16
   8       O    -0.56    -8.57    13.79       5.29       0.07    -8.50     16
   9       N    -0.68    -4.81     5.34     -14.23      -0.08    -4.89     16
  10       C     0.24     1.59     6.29     -83.69      -0.53     1.06     16
  11       C    -0.10    -0.62     8.69     -39.40      -0.34    -0.97     16
  12       C    -0.04    -0.14    10.04     -39.61      -0.40    -0.54     16
  13       C    -0.13    -0.72     8.62     -39.55      -0.34    -1.06     16
  14       C     0.40     3.41     4.82     -39.61      -0.19     3.22     16
  15       F    -0.14    -2.58    16.67       2.25       0.04    -2.54     16
  16       F    -0.16    -2.39    15.31       2.25       0.03    -2.36     16
  17       F    -0.18    -2.62    15.30       2.25       0.03    -2.59     16
  18       F    -0.17    -2.48    15.31       2.25       0.03    -2.44     16
  19       F    -0.16    -2.50    15.31       2.25       0.03    -2.46     16
  20       C    -0.16    -1.11     8.54     -39.39      -0.34    -1.44     16
  21       H     0.07     1.28     8.14     -51.93      -0.42     0.86     16
  22       H     0.07     1.30     8.14     -51.93      -0.42     0.88     16
  23       H     0.07     1.55     8.10     -51.93      -0.42     1.13     16
  24       H     0.07     1.52     8.10     -51.93      -0.42     1.10     16
  25       H     0.40     3.63     8.49     -40.82      -0.35     3.28     16
  26       H     0.42     1.56     8.84     -40.82      -0.36     1.20     16
  27       H     0.18     1.33     6.24     -52.48      -0.33     1.00     16
  28       H     0.18     0.01     8.06     -52.49      -0.42    -0.41     16
  29       H     0.18     0.80     7.39     -52.49      -0.39     0.41     16
  30       H     0.18     1.15     7.39     -52.49      -0.39     0.76     16
 Total:         -1.00   -43.78   290.68                 -3.20   -46.98