REAL300007907231.mol2 35                                                        
   1       O    -0.26     1.52    17.05      19.05       0.32     1.84     16
   2       C     0.52    -8.53     5.61      71.23       0.40    -8.13     16
   3       O    -0.21     2.65    17.42      25.07       0.44     3.09     16
   4       C     0.19    -5.39     3.91      30.22       0.12    -5.27     16
   5       H     0.38   -14.78     8.14      -2.38      -0.02   -14.80     16
   6       O    -0.17     5.25    10.74    -130.33      -1.40     3.86     16
   7       C     0.02    -0.65     7.72      72.67       0.56    -0.08     16
   8       C    -0.17     4.96     6.88      32.01       0.22     5.18     16
   9       C     0.07    -1.74     3.55      46.09       0.16    -1.57     16
  10       H     0.22    -6.23     7.35      -2.39      -0.02    -6.24     16
  11       N    -1.10    14.01     4.54    -164.81      -0.75    13.26     16
  12       S     2.76     8.50     5.67     -56.49      -0.32     8.18     16
  13       O    -0.96   -11.48    17.28    -128.00      -2.21   -13.69     16
  14       O    -0.92    -3.19    17.05    -128.00      -2.18    -5.37     16
  15       C    -0.71   -12.85     5.85      22.27       0.13   -12.72     16
  16       C     0.05     1.03     8.93      22.27       0.20     1.22     16
  17       C    -0.17    -8.85     8.62      22.27       0.19    -8.66     16
  18       C     0.48    34.48     4.82      22.27       0.11    34.59     16
  19       F    -0.35   -42.68    16.66      44.97       0.75   -41.93     16
  20       F    -0.59   -63.44    15.31      44.97       0.69   -62.75     16
  21       F    -0.57   -62.16    15.32      44.97       0.69   -61.48     16
  22       F    -0.61   -69.02    15.32      44.97       0.69   -68.33     16
  23       F    -0.54   -56.24    15.31      44.97       0.69   -55.55     16
  24       C    -0.18   -10.49     8.62      22.27       0.19   -10.30     16
  25       C     0.04     1.28     9.52      22.27       0.21     1.50     16
  26       H     0.17    -6.12     8.14      -2.39      -0.02    -6.14     16
  27       H     0.20    -8.08     8.14      -2.39      -0.02    -8.10     16
  28       H     0.12    -3.44     8.07      -2.39      -0.02    -3.46     16
  29       H     0.16    -4.93     8.14      -2.39      -0.02    -4.95     16
  30       H     0.43    -6.90     6.91     -96.75      -0.67    -7.57     16
  31       H     0.24     1.01     7.62      -2.91      -0.02     0.99     16
  32       H     0.14     7.88     7.40      -2.91      -0.02     7.85     16
  33       H     0.12     7.90     7.40      -2.91      -0.02     7.87     16
  34       H     0.20     4.09     7.61      -2.92      -0.02     4.07     16
 Total:         -1.00  -312.63   326.64                 -0.97  -313.60