REAL300011087091.mol2 35                                                        
   1       C    -0.10    -1.99     8.96      36.01       0.32    -1.66     16
   2       C     0.24     5.41     6.87     -81.79      -0.56     4.85     16
   3       N    -0.58   -11.46    10.37      -9.87      -0.10   -11.56     16
   4       C     0.55     9.52     8.41    -323.09      -2.72     6.80     16
   5       N    -0.71    -8.16     5.67     -63.55      -0.36    -8.52     16
   6       C     0.18     1.42     5.74      -5.19      -0.03     1.39     16
   7       C    -0.05    -0.25     5.25    -104.62      -0.55    -0.80     16
   8       C    -0.08    -0.17     9.70     -39.58      -0.38    -0.56     16
   9       C    -0.07    -0.09    10.05     -39.58      -0.40    -0.49     16
  10       C    -0.10    -0.48     8.62     -39.58      -0.34    -0.82     16
  11       C     0.37     2.96     4.82     -39.58      -0.19     2.77     16
  12       F    -0.01    -0.16    16.65       2.25       0.04    -0.12     16
  13       F    -0.24    -3.31    15.30       2.25       0.03    -3.28     16
  14       F    -0.22    -3.46    15.31       2.25       0.03    -3.42     16
  15       F    -0.19    -2.65    15.31       2.25       0.03    -2.61     16
  16       F    -0.12    -1.68    15.32       2.25       0.03    -1.64     16
  17       C    -0.09    -0.64     8.28     -39.58      -0.33    -0.96     16
  18       N    -0.58   -10.90     9.54     -13.63      -0.13   -11.03     16
  19       C     0.21     4.63    10.88     -16.75      -0.18     4.45     16
  20       C    -0.29    -7.27     5.90    -104.73      -0.62    -7.89     16
  21       C     0.53    16.60     7.94      34.36       0.27    16.87     16
  22       O    -0.69   -23.12    17.35     -20.58      -0.36   -23.47     16
  23       O    -0.68   -21.99    14.43     -20.58      -0.30   -22.29     16
  24       H     0.08     1.62     8.14     -51.93      -0.42     1.20     16
  25       H     0.05     0.94     8.14     -51.93      -0.42     0.52     16
  26       H     0.11     2.63     5.97     -51.93      -0.31     2.31     16
  27       H     0.41     4.12     8.57     -40.82      -0.35     3.77     16
  28       H     0.09     0.74     8.09     -51.93      -0.42     0.32     16
  29       H     0.10     0.67     8.09     -51.93      -0.42     0.25     16
  30       H     0.17     0.04     8.06     -52.48      -0.42    -0.38     16
  31       H     0.18    -0.36     8.06     -52.48      -0.42    -0.78     16
  32       H     0.18     0.71     7.40     -52.49      -0.39     0.32     16
  33       H     0.18     1.34     7.40     -52.49      -0.39     0.95     16
  34       H     0.17     3.61     7.75     -52.49      -0.41     3.20     16
 Total:         -1.00   -41.15   322.33                 -6.29   -47.44