REAL300017450407.mol2 37                                                        
   1       C     0.00    -0.02    11.01     113.37       1.25     1.22     16
   2       O    -0.33     4.10     9.02    -131.66      -1.19     2.91     16
   3       C    -0.03     0.43     3.41      71.98       0.25     0.68     16
   4       C     0.33    -4.51     0.95       2.86       0.00    -4.51     16
   5       C    -0.20     1.74     8.09      71.98       0.58     2.33     16
   6       N    -1.04    14.92     5.40    -155.18      -0.84    14.08     16
   7       S     2.73   -10.46     5.43     -56.49      -0.31   -10.77     16
   8       O    -0.90     5.31    13.61    -128.00      -1.74     3.56     16
   9       O    -0.90    -2.90    17.48    -128.00      -2.24    -5.14     16
  10       C    -0.73    -8.31     4.22      22.27       0.09    -8.21     16
  11       C     0.05     1.16     9.52      22.27       0.21     1.38     16
  12       C    -0.18    -8.71     8.62      22.27       0.19    -8.52     16
  13       C     0.48    31.64     4.82      22.27       0.11    31.74     16
  14       F    -0.27   -31.55    16.66      44.97       0.75   -30.80     16
  15       F    -0.58   -58.25    15.31      44.97       0.69   -57.56     16
  16       F    -0.60   -64.42    15.32      44.97       0.69   -63.73     16
  17       F    -0.60   -62.61    15.32      44.97       0.69   -61.93     16
  18       F    -0.58   -59.36    15.30      44.97       0.69   -58.67     16
  19       C    -0.17    -7.81     8.62      22.27       0.19    -7.61     16
  20       C     0.03     0.50     7.12      22.27       0.16     0.66     16
  21       C     0.53    -6.87     6.72      71.24       0.48    -6.39     16
  22       O    -0.20     1.71    16.38      24.72       0.40     2.12     16
  23       O    -0.25     2.87    16.70      19.05       0.32     3.19     16
  24       H     0.09    -1.14     8.14      -2.39      -0.02    -1.16     16
  25       H     0.11    -1.34     8.14      -2.39      -0.02    -1.36     16
  26       H     0.09    -1.54     8.14      -2.39      -0.02    -1.56     16
  27       H     0.23    -3.74     4.22      -2.39      -0.01    -3.75     16
  28       H     0.20    -4.72     7.73      -2.39      -0.02    -4.74     16
  29       H     0.16    -0.34     4.31      -2.39      -0.01    -0.35     16
  30       H     0.15    -1.75     8.14      -2.39      -0.02    -1.77     16
  31       H     0.16    -1.69     7.71      -2.39      -0.02    -1.71     16
  32       H     0.48    -9.37     7.82     -96.75      -0.76   -10.13     16
  33       H     0.22     2.01     7.79      -2.91      -0.02     1.99     16
  34       H     0.13     7.55     7.40      -2.91      -0.02     7.53     16
  35       H     0.14     7.54     7.40      -2.91      -0.02     7.51     16
  36       H     0.24    -0.01     6.00      -2.91      -0.02    -0.03     16
 Total:         -1.00  -269.93   327.98                  0.45  -269.48