REAL300000674704.mol2 38                                                        
   1       O    -0.67   -21.50    14.76     -20.24      -0.30   -21.80     16
   2       C     0.49    14.34     5.29      36.00       0.19    14.53     16
   3       O    -0.70   -21.86    16.86     -20.23      -0.34   -22.20     16
   4       C    -0.15    -3.24     3.19     -89.09      -0.28    -3.53     16
   5       H     0.07     1.51     8.14     -51.93      -0.42     1.09     16
   6       C    -0.06    -1.09     4.74     -86.40      -0.41    -1.50     16
   7       H     0.09     1.68     8.14     -51.93      -0.42     1.26     16
   8       C    -0.09    -1.87     7.51     -34.86      -0.26    -2.13     16
   9       C    -0.19    -3.53     7.28     -34.86      -0.25    -3.79     16
  10       C    -0.06    -0.87     4.97     -85.03      -0.42    -1.30     16
  11       H     0.09     1.16     8.14     -51.93      -0.42     0.74     16
  12       C    -0.12    -1.78     6.81     -20.91      -0.14    -1.92     16
  13       C    -0.09    -1.52     3.19     -88.91      -0.28    -1.81     16
  14       H     0.09     1.15     8.11     -51.93      -0.42     0.73     16
  15       C     0.54    10.15     4.51     -10.98      -0.05    10.10     16
  16       O    -0.49   -10.16    10.81       5.55       0.06   -10.10     16
  17       N    -0.66   -10.30     5.00      -9.86      -0.05   -10.34     16
  18       C     0.24     3.57     6.31     -83.69      -0.53     3.04     16
  19       C    -0.11    -1.44     8.71     -39.39      -0.34    -1.78     16
  20       C    -0.05    -0.48    10.04     -39.61      -0.40    -0.88     16
  21       C    -0.14    -1.66     8.62     -39.55      -0.34    -2.00     16
  22       C     0.40     6.24     4.82     -39.61      -0.19     6.05     16
  23       F    -0.03    -0.74    16.66       2.25       0.04    -0.70     16
  24       F    -0.20    -3.90    15.31       2.25       0.03    -3.87     16
  25       F    -0.10    -2.16    15.29       2.25       0.03    -2.12     16
  26       F    -0.22    -4.42    15.31       2.25       0.03    -4.39     16
  27       F    -0.25    -5.15    15.32       2.25       0.03    -5.12     16
  28       C    -0.15    -2.26     8.54     -39.39      -0.34    -2.60     16
  29       H     0.12     2.71     7.75     -52.49      -0.41     2.31     16
  30       H     0.12     2.10     7.92     -52.48      -0.42     1.68     16
  31       H     0.07     0.87     8.14     -51.93      -0.42     0.45     16
  32       H     0.07     0.94     8.14     -51.93      -0.42     0.52     16
  33       H     0.42     5.21     8.80     -40.82      -0.36     4.85     16
  34       H     0.18     2.25     6.16     -52.49      -0.32     1.93     16
  35       H     0.18     0.98     8.06     -52.48      -0.42     0.56     16
  36       H     0.17     1.83     7.39     -52.49      -0.39     1.44     16
  37       H     0.18     2.82     7.39     -52.49      -0.39     2.43     16
 Total:         -1.00   -40.44   322.15                 -4.89   -45.33