REAL300017307153.mol2 35                                                        
   1       O    -0.42    -2.48    17.40      25.16       0.44    -2.04     16
   2       C     0.52    -1.00     7.46      71.23       0.53    -0.47     16
   3       O    -0.45    -3.16    17.88      19.04       0.34    -2.82     16
   4       C     0.12    -2.03     3.27      29.94       0.10    -1.93     16
   5       H     0.19    -3.55     8.14      -2.38      -0.02    -3.57     16
   6       C     0.11    -2.92     5.76      86.35       0.50    -2.42     16
   7       N    -0.75    19.55     3.34    -511.61      -1.71    17.84     16
   8       S     2.70   -28.76     5.70     -56.49      -0.32   -29.08     16
   9       O    -0.87     7.32    16.08    -128.00      -2.06     5.27     16
  10       O    -0.89     4.80    16.09    -128.00      -2.06     2.74     16
  11       C    -0.72    -5.91     5.97      22.27       0.13    -5.77     16
  12       C     0.04     0.83     9.52      22.27       0.21     1.04     16
  13       C    -0.19    -9.26     8.62      22.27       0.19    -9.07     16
  14       C     0.47    32.05     4.82      22.27       0.11    32.16     16
  15       F    -0.28   -32.79    16.66      44.97       0.75   -32.04     16
  16       F    -0.58   -60.25    15.31      44.97       0.69   -59.56     16
  17       F    -0.60   -64.72    15.32      44.97       0.69   -64.03     16
  18       F    -0.60   -64.39    15.32      44.97       0.69   -63.70     16
  19       F    -0.58   -59.86    15.31      44.97       0.69   -59.17     16
  20       C    -0.18    -8.73     8.62      22.27       0.19    -8.54     16
  21       C     0.05     0.86     9.52      22.27       0.21     1.07     16
  22       C     0.06    -2.01     6.57      86.35       0.57    -1.45     16
  23       C     0.04    -1.14     6.98      72.08       0.50    -0.64     16
  24       O    -0.21     4.61     9.92    -130.03      -1.29     3.32     16
  25       H     0.25    -8.79     8.13      -2.39      -0.02    -8.81     16
  26       H     0.20    -5.23     7.25      -2.39      -0.02    -5.25     16
  27       H     0.23     1.16     7.62      -2.91      -0.02     1.14     16
  28       H     0.12     7.40     7.40      -2.91      -0.02     7.38     16
  29       H     0.13     7.43     7.40      -2.91      -0.02     7.40     16
  30       H     0.24    -0.06     7.62      -2.91      -0.02    -0.08     16
  31       H     0.26   -11.43     8.14      -2.39      -0.02   -11.45     16
  32       H     0.20    -7.71     7.25      -2.39      -0.02    -7.73     16
  33       H     0.23    -8.38     8.14      -2.39      -0.02    -8.40     16
  34       H     0.16    -4.74     8.14      -2.39      -0.02    -4.76     16
 Total:         -1.00  -313.28   326.69                 -0.13  -313.42