REAL300013493718.mol2 43                                                        
   1       O    -0.70   -25.23    16.88     -20.23      -0.34   -25.57     16
   2       C     0.49    16.44     8.05      36.00       0.29    16.73     16
   3       O    -0.71   -26.45    18.00     -20.23      -0.36   -26.81     16
   4       C    -0.18    -4.65     5.78     -27.88      -0.16    -4.81     16
   5       C    -0.09    -1.95     4.50     -26.73      -0.12    -2.07     16
   6       C    -0.12    -1.71     5.21     -26.73      -0.14    -1.85     16
   7       C    -0.12    -1.25     5.21     -26.73      -0.14    -1.39     16
   8       C    -0.13    -0.92     5.33     -26.74      -0.14    -1.07     16
   9       C     0.13     0.87     5.67      -4.05      -0.02     0.85     16
  10       N    -0.73    -3.24     5.56     -65.23      -0.36    -3.61     16
  11       C     0.71     3.99     8.41     -86.91      -0.73     3.26     16
  12       O    -0.56    -5.11    13.79       5.29       0.07    -5.04     16
  13       N    -0.68    -1.74     5.34     -14.22      -0.08    -1.82     16
  14       C     0.23     0.74     6.29     -83.69      -0.53     0.22     16
  15       C    -0.10    -0.29     8.70     -39.40      -0.34    -0.63     16
  16       C    -0.04    -0.05    10.04     -39.61      -0.40    -0.45     16
  17       C    -0.13    -0.44     8.62     -39.55      -0.34    -0.78     16
  18       C     0.39     2.42     4.82     -39.61      -0.19     2.23     16
  19       F    -0.01    -0.14    16.65       2.25       0.04    -0.10     16
  20       F    -0.17    -2.16    15.30       2.25       0.03    -2.12     16
  21       F    -0.13    -1.45    15.30       2.25       0.03    -1.42     16
  22       F    -0.23    -2.78    15.30       2.25       0.03    -2.75     16
  23       F    -0.23    -3.03    15.32       2.25       0.03    -2.99     16
  24       C    -0.15    -0.63     8.54     -39.39      -0.34    -0.97     16
  25       H     0.05     1.29     8.14     -51.93      -0.42     0.86     16
  26       H     0.05     1.29     8.14     -51.93      -0.42     0.87     16
  27       H     0.06     1.29     8.10     -51.93      -0.42     0.87     16
  28       H     0.06     1.28     8.10     -51.93      -0.42     0.86     16
  29       H     0.06     0.76     8.14     -51.93      -0.42     0.33     16
  30       H     0.06     0.76     8.14     -51.93      -0.42     0.34     16
  31       H     0.07     0.74     8.14     -51.93      -0.42     0.32     16
  32       H     0.07     0.73     8.14     -51.93      -0.42     0.30     16
  33       H     0.07     0.44     8.14     -51.93      -0.42     0.02     16
  34       H     0.07     0.46     8.14     -51.93      -0.42     0.03     16
  35       H     0.07     0.57     8.14     -51.93      -0.42     0.15     16
  36       H     0.07     0.54     8.14     -51.93      -0.42     0.12     16
  37       H     0.40     0.65     8.49     -40.82      -0.35     0.30     16
  38       H     0.42    -0.24     8.84     -40.82      -0.36    -0.60     16
  39       H     0.18     0.63     6.24     -52.49      -0.33     0.31     16
  40       H     0.18    -0.38     8.06     -52.49      -0.42    -0.80     16
  41       H     0.18     0.50     7.39     -52.48      -0.39     0.12     16
  42       H     0.18     0.61     7.39     -52.49      -0.39     0.22     16
 Total:         -1.00   -46.82   376.66                 -5.82   -52.64