REAL300018682738.mol2 40                                                        
   1       O    -0.72   -30.84    17.24      17.81       0.31   -30.53     16
   2       C     0.48    18.10     7.82      70.28       0.55    18.65     16
   3       O    -0.71   -33.87    12.18      17.81       0.22   -33.65     16
   4       C    -0.14    -2.21     5.85     -20.11      -0.12    -2.33     16
   5       C    -0.06     0.40     9.25      22.55       0.21     0.61     16
   6       C    -0.11     3.08     5.35     -19.91      -0.11     2.98     16
   7       C     0.07    -3.54     5.49      85.56       0.47    -3.07     16
   8       N    -0.51    29.97     1.74    -522.00      -0.91    29.06     16
   9       H     0.44   -24.81     8.66     -89.69      -0.78   -25.59     16
  10       H     0.44   -28.04     8.66     -89.69      -0.78   -28.82     16
  11       C     0.06    -3.57     5.50      85.56       0.47    -3.10     16
  12       C    -0.11     5.23     5.36     -19.80      -0.11     5.12     16
  13       C    -0.02     0.84     9.68      22.24       0.22     1.05     16
  14       C    -0.13     2.80     9.75      22.49       0.22     3.02     16
  15       C     0.32    -4.08     9.80      22.82       0.22    -3.86     16
  16       O    -0.75   -10.65    17.25    -127.47      -2.20   -12.85     16
  17       O    -0.76   -12.00    17.25    -127.47      -2.20   -14.19     16
  18       C    -0.12     3.01     9.75      22.48       0.22     3.23     16
  19       C    -0.01     0.41     9.68      22.24       0.22     0.63     16
  20       C    -0.06     1.45     9.69      22.34       0.22     1.66     16
  21       C    -0.10     0.65     9.42      22.23       0.21     0.86     16
  22       C    -0.15    -1.73     5.40     -19.58      -0.11    -1.83     16
  23       C     0.50    11.38     2.78      71.24       0.20    11.58     16
  24       F    -0.18    -2.82    15.98      44.97       0.72    -2.10     16
  25       F    -0.19    -6.10    15.01      44.97       0.67    -5.42     16
  26       F    -0.19    -5.84    15.01      44.97       0.67    -5.16     16
  27       H     0.15    -1.15     7.65      -2.91      -0.02    -1.17     16
  28       H     0.20   -12.05     8.08      -2.39      -0.02   -12.07     16
  29       H     0.16    -8.49     8.08      -2.38      -0.02    -8.51     16
  30       H     0.20   -13.59     8.08      -2.39      -0.02   -13.61     16
  31       H     0.18   -11.42     8.08      -2.38      -0.02   -11.43     16
  32       H     0.22   -10.14     8.06      -2.91      -0.02   -10.17     16
  33       H     0.16    -2.41     7.77      -2.91      -0.02    -2.44     16
  34       H     0.33     4.19     8.90     -74.06      -0.66     3.53     16
  35       H     0.33     4.59     8.90     -74.06      -0.66     3.94     16
  36       H     0.17    -3.32     7.77      -2.91      -0.02    -3.35     16
  37       H     0.24   -12.78     8.06      -2.91      -0.02   -12.80     16
  38       H     0.22    -8.69     8.06      -2.91      -0.02    -8.72     16
  39       H     0.15    -1.29     7.15      -2.91      -0.02    -1.31     16
 Total:          0.00  -169.33   354.20                 -2.84  -172.17