REAL300018682737.mol2 40                                                        
   1       O    -0.73   -37.41    17.25      17.80       0.31   -37.11     16
   2       C     0.48    21.64     7.82      70.28       0.55    22.18     16
   3       O    -0.70   -37.10    12.18      17.81       0.22   -36.88     16
   4       C    -0.14    -3.31     5.85     -20.11      -0.12    -3.43     16
   5       C    -0.07    -0.39     9.25      22.55       0.21    -0.18     16
   6       C    -0.11     1.81     5.35     -19.91      -0.11     1.70     16
   7       C     0.07    -2.36     5.49      85.56       0.47    -1.89     16
   8       N    -0.50    19.53     1.58    -522.00      -0.83    18.71     16
   9       H     0.44   -21.91     8.66     -89.69      -0.78   -22.69     16
  10       H     0.42   -12.38     7.03     -89.69      -0.63   -13.01     16
  11       C     0.05    -2.05     4.64      85.55       0.40    -1.66     16
  12       C    -0.12     4.24     5.38     -19.65      -0.11     4.13     16
  13       C    -0.02     0.75     9.66      22.24       0.21     0.97     16
  14       C    -0.09     3.36    10.04      22.33       0.22     3.59     16
  15       C    -0.04     1.21    10.03      22.24       0.22     1.43     16
  16       C    -0.14     2.75     9.75      22.48       0.22     2.97     16
  17       C     0.32    -6.33     9.76      22.82       0.22    -6.11     16
  18       O    -0.71     5.03    12.35    -127.47      -1.57     3.46     16
  19       O    -0.77    -8.88    17.25    -127.47      -2.20   -11.08     16
  20       C    -0.05     0.94     9.69      22.34       0.22     1.16     16
  21       C    -0.09     0.19     9.42      22.23       0.21     0.39     16
  22       C    -0.15    -2.47     5.40     -19.58      -0.11    -2.58     16
  23       C     0.50    13.13     2.78      71.24       0.20    13.33     16
  24       F    -0.18    -3.07    15.98      44.97       0.72    -2.35     16
  25       F    -0.19    -6.42    14.98      44.97       0.67    -5.74     16
  26       F    -0.19    -6.65    15.04      44.97       0.68    -5.98     16
  27       H     0.13     1.18     7.65      -2.91      -0.02     1.16     16
  28       H     0.13    -3.82     8.08      -2.38      -0.02    -3.84     16
  29       H     0.21   -10.05     8.08      -2.38      -0.02   -10.07     16
  30       H     0.14    -4.41     5.78      -2.39      -0.01    -4.42     16
  31       H     0.22   -11.96     8.00      -2.39      -0.02   -11.98     16
  32       H     0.25   -13.31     8.03      -2.91      -0.02   -13.33     16
  33       H     0.20    -8.79     8.06      -2.91      -0.02    -8.81     16
  34       H     0.19    -6.14     8.06      -2.91      -0.02    -6.16     16
  35       H     0.15    -1.93     7.77      -2.91      -0.02    -1.96     16
  36       H     0.34    -0.43     8.90     -74.06      -0.66    -1.09     16
  37       H     0.33     3.76     8.90     -74.06      -0.66     3.10     16
  38       H     0.23    -7.85     8.06      -2.91      -0.02    -7.88     16
  39       H     0.17    -1.04     7.15      -2.91      -0.02    -1.06     16
 Total:          0.00  -140.97   345.15                 -2.05  -143.01