REAL300024859934.mol2 35                                                        
   1       O    -0.45    -3.59    12.06       5.55       0.07    -3.52     16
   2       C     0.47     1.40     7.15     -10.98      -0.08     1.32     16
   3       C     0.35     0.41     5.47      36.01       0.20     0.61     16
   4       F     0.01     0.07    16.66       2.25       0.04     0.11     16
   5       F    -0.21    -2.46    13.70       2.25       0.03    -2.43     16
   6       F    -0.28    -3.07    15.88       2.25       0.04    -3.03     16
   7       F    -0.19    -2.01    15.87       2.25       0.04    -1.97     16
   8       F    -0.08    -0.83    13.72       2.25       0.03    -0.80     16
   9       N    -0.69    -0.55     5.36     -55.34      -0.30    -0.85     16
  10       C     0.11     0.23     4.43     -70.14      -0.31    -0.08     16
  11       C     0.10     0.43     8.64      -2.97      -0.03     0.41     16
  12       N    -0.65    -4.25     3.61    -178.54      -0.64    -4.89     16
  13       C     0.56     6.44     8.07     -10.99      -0.09     6.35     16
  14       O    -0.51    -8.01    16.59       5.55       0.09    -7.92     16
  15       C    -0.15    -1.93     5.42      36.00       0.20    -1.74     16
  16       S     0.06     1.12    21.45    -107.50      -2.31    -1.18     16
  17       C     0.20     5.05     8.33     -88.20      -0.73     4.31     16
  18       N    -0.40    -9.61    11.98      30.72       0.37    -9.24     16
  19       N    -0.58   -15.18     7.39      27.70       0.20   -14.98     16
  20       C     0.58    17.88     9.41     -86.79      -0.82    17.07     16
  21       O    -0.65   -21.66    18.06       5.08       0.09   -21.57     16
  22       N    -0.65   -19.60    11.63     -16.34      -0.19   -19.79     16
  23       C     0.10     0.25     8.36      -2.98      -0.02     0.22     16
  24       H     0.18    -0.61     7.65     -51.92      -0.40    -1.01     16
  25       H     0.19    -0.58     7.65     -51.93      -0.40    -0.98     16
  26       H     0.41    -0.66     8.75     -40.82      -0.36    -1.02     16
  27       H     0.13     0.27     7.46     -51.93      -0.39    -0.12     16
  28       H     0.10     0.36     8.14     -51.93      -0.42    -0.07     16
  29       H     0.09     0.47     8.14     -51.93      -0.42     0.05     16
  30       H     0.11     1.34     8.14     -51.92      -0.42     0.91     16
  31       H     0.12     1.49     8.14     -51.92      -0.42     1.06     16
  32       H     0.40     9.03     8.96    -182.55      -1.64     7.39     16
  33       H     0.10     0.15     8.14     -51.93      -0.42    -0.28     16
  34       H     0.11     0.15     8.14     -51.93      -0.42    -0.27     16
 Total:         -1.00   -48.07   338.58                 -4.74   -52.81