REAL300008281756.mol2 37                                                        
   1       O    -0.16     4.19    17.38      19.05       0.33     4.52     16
   2       C     0.53   -15.08     6.43      71.23       0.46   -14.62     16
   3       O    -0.14     2.92    15.81      19.04       0.30     3.22     16
   4       C     0.09    -3.08     3.33     -10.47      -0.03    -3.11     16
   5       H     0.31   -14.39     8.14      -2.38      -0.02   -14.41     16
   6       C    -0.14     4.27     5.87      31.88       0.19     4.46     16
   7       C    -0.11     2.21     6.83      31.67       0.22     2.43     16
   8       C    -0.17     1.93     6.60      31.39       0.21     2.14     16
   9       C     0.10    -2.08     3.29      45.79       0.15    -1.93     16
  10       H     0.19    -4.62     7.54      -2.39      -0.02    -4.64     16
  11       N    -1.08    13.38     3.55    -166.09      -0.59    12.79     16
  12       S     2.75    13.20     5.72     -56.49      -0.32    12.88     16
  13       O    -0.95   -11.17    17.28    -128.00      -2.21   -13.39     16
  14       O    -0.93    -5.59    16.65    -128.00      -2.13    -7.73     16
  15       C    -0.71   -15.29     5.95      22.27       0.13   -15.16     16
  16       C     0.04     1.17     9.52      22.27       0.21     1.39     16
  17       C    -0.18    -9.85     8.62      22.27       0.19    -9.66     16
  18       C     0.47    35.47     4.82      22.27       0.11    35.58     16
  19       F    -0.28   -33.72    16.66      44.97       0.75   -32.97     16
  20       F    -0.59   -64.47    15.31      44.97       0.69   -63.78     16
  21       F    -0.60   -66.25    15.31      44.97       0.69   -65.57     16
  22       F    -0.60   -67.04    15.31      44.97       0.69   -66.35     16
  23       F    -0.59   -63.03    15.31      44.97       0.69   -62.34     16
  24       C    -0.18   -10.91     8.62      22.27       0.19   -10.72     16
  25       C     0.04     1.28     9.52      22.27       0.21     1.49     16
  26       H     0.18    -6.55     8.14      -2.39      -0.02    -6.57     16
  27       H     0.14    -4.43     8.05      -2.38      -0.02    -4.45     16
  28       H     0.12    -2.76     8.14      -2.39      -0.02    -2.78     16
  29       H     0.10    -1.36     8.14      -2.39      -0.02    -1.38     16
  30       H     0.11    -0.59     8.14      -2.39      -0.02    -0.61     16
  31       H     0.09    -0.36     7.92      -2.38      -0.02    -0.38     16
  32       H     0.44    -8.63     7.73     -96.75      -0.75    -9.38     16
  33       H     0.23     2.60     7.62      -2.91      -0.02     2.58     16
  34       H     0.13     8.33     7.40      -2.91      -0.02     8.31     16
  35       H     0.12     8.20     7.40      -2.91      -0.02     8.18     16
  36       H     0.21     4.26     7.62      -2.91      -0.02     4.24     16
 Total:         -1.00  -307.82   335.70                  0.12  -307.70