REAL300000721131.mol2 42                                                        
   1       O    -0.70   -25.23    17.07     -20.23      -0.35   -25.57     16
   2       C     0.49    16.36     7.55      36.00       0.27    16.64     16
   3       O    -0.70   -25.33    17.08     -20.23      -0.35   -25.67     16
   4       C    -0.15    -3.76     2.65     -91.77      -0.24    -4.00     16
   5       H     0.06     1.40     8.14     -51.93      -0.42     0.98     16
   6       C    -0.10    -2.00     4.80     -26.73      -0.13    -2.13     16
   7       C    -0.12    -1.74     5.92     -26.73      -0.16    -1.90     16
   8       C    -0.11    -1.39     5.10     -26.73      -0.14    -1.52     16
   9       C    -0.11    -1.56     2.53     -91.75      -0.23    -1.79     16
  10       H     0.09     1.20     8.14     -51.93      -0.42     0.78     16
  11       C     0.52     7.02     7.15     -10.98      -0.08     6.95     16
  12       O    -0.52    -9.37    15.98       5.56       0.09    -9.28     16
  13       N    -0.74    -5.82     5.44     -61.48      -0.33    -6.16     16
  14       C     0.16     0.89     5.80      -5.20      -0.03     0.86     16
  15       C    -0.05    -0.17     5.25    -104.62      -0.55    -0.71     16
  16       C    -0.08    -0.05     9.70     -39.58      -0.38    -0.43     16
  17       C    -0.07     0.01    10.05     -39.59      -0.40    -0.39     16
  18       C    -0.10    -0.32     8.62     -39.59      -0.34    -0.67     16
  19       C     0.36     2.45     4.82     -39.58      -0.19     2.26     16
  20       F    -0.01    -0.12    16.67       2.25       0.04    -0.08     16
  21       F    -0.13    -1.52    15.31       2.25       0.03    -1.49     16
  22       F    -0.17    -2.41    15.31       2.25       0.03    -2.37     16
  23       F    -0.24    -3.17    15.32       2.25       0.03    -3.13     16
  24       F    -0.22    -3.06    15.31       2.25       0.03    -3.02     16
  25       C    -0.10    -0.51     8.28     -39.58      -0.33    -0.84     16
  26       C    -0.07    -1.50     3.38     -26.71      -0.09    -1.59     16
  27       H     0.07     1.50     7.85     -51.93      -0.41     1.09     16
  28       H     0.05     1.20     8.14     -51.93      -0.42     0.78     16
  29       H     0.06     0.80     8.14     -51.93      -0.42     0.38     16
  30       H     0.06     0.78     8.14     -51.93      -0.42     0.36     16
  31       H     0.06     0.54     7.56     -51.93      -0.39     0.15     16
  32       H     0.07     0.95     8.14     -51.93      -0.42     0.52     16
  33       H     0.40     2.19     7.88     -40.82      -0.32     1.86     16
  34       H     0.09     0.60     8.09     -51.93      -0.42     0.18     16
  35       H     0.10     0.50     8.09     -51.93      -0.42     0.08     16
  36       H     0.17    -0.24     8.06     -52.48      -0.42    -0.67     16
  37       H     0.18    -0.60     8.06     -52.48      -0.42    -1.02     16
  38       H     0.18     0.44     7.40     -52.48      -0.39     0.05     16
  39       H     0.18     1.10     7.40     -52.48      -0.39     0.71     16
  40       H     0.06     1.45     8.10     -51.93      -0.42     1.03     16
  41       H     0.07     1.73     7.81     -51.93      -0.41     1.33     16
 Total:         -1.00   -46.73   360.24                 -5.30   -52.03