REAL300018286297.mol2 36                                                        
   1       O    -0.71   -46.89    16.20      19.05       0.31   -46.59     16
   2       C     0.46    30.14     7.20      71.23       0.51    30.65     16
   3       O    -0.72   -52.22    17.79      19.04       0.34   -51.88     16
   4       C     0.08     4.37     2.46      43.42       0.11     4.48     16
   5       N    -0.63   -28.87     4.31    -503.40      -2.17   -31.03     16
   6       C     0.10     4.27     4.54      85.56       0.39     4.66     16
   7       C    -0.09    -2.50     5.42     -19.65      -0.11    -2.60     16
   8       C    -0.07    -1.21     9.66      22.24       0.21    -1.00     16
   9       C    -0.08    -0.52    10.04      22.33       0.22    -0.30     16
  10       C    -0.04    -0.26    10.03      22.24       0.22    -0.04     16
  11       C    -0.11    -2.04     9.75      22.49       0.22    -1.82     16
  12       C     0.33    10.09     9.76      22.83       0.22    10.32     16
  13       O    -0.63   -30.05    13.35    -127.47      -1.70   -31.75     16
  14       O    -0.82   -39.00    17.25    -127.47      -2.20   -41.20     16
  15       C    -0.07    -3.42     4.97     -19.83      -0.10    -3.51     16
  16       C    -0.12    -5.03     9.30      22.31       0.21    -4.82     16
  17       C     0.08     2.83     7.30      22.37       0.16     2.99     16
  18       F    -0.14    -4.53    17.27      44.97       0.78    -3.75     16
  19       C    -0.12    -3.51    10.02      22.31       0.22    -3.29     16
  20       C    -0.12    -3.93    10.02      22.31       0.22    -3.70     16
  21       C     0.07     3.20     7.16      22.37       0.16     3.37     16
  22       F    -0.15    -7.19    16.57      44.97       0.74    -6.45     16
  23       H     0.07     3.87     7.45      -2.39      -0.02     3.85     16
  24       H     0.34    15.53     7.17     -89.70      -0.64    14.89     16
  25       H     0.09     3.97     5.69      -2.39      -0.01     3.96     16
  26       H     0.04     1.84     7.48      -2.38      -0.02     1.83     16
  27       H     0.17     3.05     8.03      -2.91      -0.02     3.03     16
  28       H     0.21    -0.52     8.06      -2.91      -0.02    -0.55     16
  29       H     0.22    -0.93     8.06      -2.91      -0.02    -0.95     16
  30       H     0.18     3.31     7.77      -2.91      -0.02     3.29     16
  31       H     0.32    14.40     8.90     -74.06      -0.66    13.74     16
  32       H     0.31    14.02     8.90     -74.06      -0.66    13.36     16
  33       H     0.14     5.83     6.89      -2.91      -0.02     5.81     16
  34       H     0.19     3.75     8.06      -2.91      -0.02     3.73     16
  35       H     0.18     4.48     8.06      -2.91      -0.02     4.46     16
 Total:         -1.00  -103.63   320.89                 -3.18  -106.82