REAL300018377468.mol2 40                                                        
   1       O    -0.73   -54.65    17.91      19.05       0.34   -54.31     16
   2       C     0.46    31.00     6.53      71.23       0.47    31.46     16
   3       O    -0.66   -47.40    12.74      26.50       0.34   -47.06     16
   4       C     0.08     4.22     2.34      43.42       0.10     4.32     16
   5       N    -0.64   -27.98     4.89    -503.37      -2.46   -30.44     16
   6       C     0.09     3.38     4.71      85.56       0.40     3.78     16
   7       C    -0.08    -2.22     5.42     -19.65      -0.11    -2.33     16
   8       C    -0.05    -0.64     9.66      22.24       0.21    -0.43     16
   9       C    -0.07    -0.33    10.04      22.33       0.22    -0.11     16
  10       C    -0.05    -0.38    10.03      22.24       0.22    -0.15     16
  11       C    -0.12    -2.73     9.75      22.49       0.22    -2.51     16
  12       C     0.29    10.08     9.76      22.82       0.22    10.30     16
  13       O    -0.56   -33.89     9.29    -118.25      -1.10   -34.99     16
  14       O    -0.91   -54.99    17.25    -127.47      -2.20   -57.18     16
  15       C    -0.08    -3.76     5.08     -19.77      -0.10    -3.86     16
  16       C    -0.07    -2.69     9.33      22.26       0.21    -2.48     16
  17       C    -0.13    -3.58    10.04      22.28       0.22    -3.36     16
  18       C    -0.08    -2.05    10.04      22.25       0.22    -1.82     16
  19       C    -0.20    -6.50     8.26      22.37       0.18    -6.31     16
  20       C     0.08     3.42     6.45      22.51       0.15     3.56     16
  21       O    -0.32   -14.53     9.53     -92.39      -0.88   -15.41     16
  22       C     0.61    21.80     3.42     113.37       0.39    22.19     16
  23       F    -0.16    -4.60    15.56      44.97       0.70    -3.90     16
  24       F    -0.14    -4.81    17.53      44.97       0.79    -4.03     16
  25       F    -0.17    -5.87    15.56      44.97       0.70    -5.17     16
  26       H     0.07     3.71     7.51      -2.39      -0.02     3.70     16
  27       H     0.34    17.61     5.95     -89.70      -0.53    17.07     16
  28       H     0.03     1.54     5.65      -2.39      -0.01     1.52     16
  29       H     0.11     3.45     7.92      -2.39      -0.02     3.43     16
  30       H     0.20     1.26     8.04      -2.91      -0.02     1.24     16
  31       H     0.22    -1.37     8.06      -2.91      -0.02    -1.39     16
  32       H     0.22    -0.45     8.06      -2.91      -0.02    -0.48     16
  33       H     0.16     4.19     7.77      -2.91      -0.02     4.17     16
  34       H     0.33    22.07     7.68     -74.06      -0.57    21.50     16
  35       H     0.29    17.78     8.90     -74.06      -0.66    17.12     16
  36       H     0.13     4.99     6.83      -2.91      -0.02     4.97     16
  37       H     0.17     3.18     8.06      -2.91      -0.02     3.16     16
  38       H     0.17     2.85     8.06      -2.91      -0.02     2.83     16
  39       H     0.14     4.12     5.10      -2.91      -0.01     4.11     16
 Total:         -1.00  -114.76   344.72                 -2.52  -117.28