REAL300013493712.mol2 38                                                        
   1       O    -0.69   -23.84    17.88     -20.22      -0.36   -24.20     16
   2       C     0.50    15.32     7.39      36.01       0.27    15.59     16
   3       O    -0.69   -23.12    16.88     -20.24      -0.34   -23.46     16
   4       C    -0.17    -3.81     2.75     -91.65      -0.25    -4.06     16
   5       H     0.07     1.53     8.14     -51.93      -0.42     1.11     16
   6       C    -0.09    -1.71     4.46     -26.69      -0.12    -1.83     16
   7       C    -0.14    -1.71     6.08     -26.61      -0.16    -1.87     16
   8       C     0.11     1.10     6.39      -3.71      -0.02     1.08     16
   9       N    -0.61    -8.42     2.97    -178.49      -0.53    -8.95     16
  10       C     0.70     9.02     8.04     -86.91      -0.70     8.32     16
  11       O    -0.56    -8.97    13.45       5.29       0.07    -8.90     16
  12       N    -0.68    -5.54     5.25     -14.22      -0.07    -5.62     16
  13       C     0.24     1.75     6.28     -83.69      -0.53     1.22     16
  14       C    -0.10    -0.66     8.66     -39.39      -0.34    -1.00     16
  15       C    -0.04    -0.14    10.04     -39.61      -0.40    -0.54     16
  16       C    -0.13    -0.76     8.62     -39.55      -0.34    -1.10     16
  17       C     0.40     3.54     4.82     -39.61      -0.19     3.35     16
  18       F    -0.14    -2.58    16.69       2.25       0.04    -2.55     16
  19       F    -0.16    -2.40    15.31       2.25       0.03    -2.36     16
  20       F    -0.18    -2.69    15.30       2.25       0.03    -2.65     16
  21       F    -0.17    -2.50    15.32       2.25       0.03    -2.46     16
  22       F    -0.16    -2.52    15.31       2.25       0.03    -2.48     16
  23       C    -0.16    -1.19     8.53     -39.40      -0.34    -1.53     16
  24       C     0.15     2.85     5.62      -3.71      -0.02     2.83     16
  25       H     0.06     1.22     8.13     -51.93      -0.42     0.80     16
  26       H     0.07     1.35     8.06     -51.93      -0.42     0.93     16
  27       H     0.07     0.73     8.14     -51.93      -0.42     0.31     16
  28       H     0.06     0.80     8.14     -51.93      -0.42     0.38     16
  29       H     0.08     0.71     8.14     -51.93      -0.42     0.29     16
  30       H     0.07     0.42     5.64     -51.93      -0.29     0.13     16
  31       H     0.42     2.21     6.30     -40.82      -0.26     1.96     16
  32       H     0.18     1.32     6.42     -52.49      -0.34     0.98     16
  33       H     0.18     0.04     8.06     -52.49      -0.42    -0.38     16
  34       H     0.18     0.83     7.39     -52.48      -0.39     0.44     16
  35       H     0.18     1.23     7.39     -52.49      -0.39     0.85     16
  36       H     0.10     2.16     6.99     -51.93      -0.36     1.80     16
  37       H     0.07     1.28     8.14     -51.93      -0.42     0.86     16
 Total:         -1.00   -43.13   327.13                 -4.68   -47.81