REAL300008281755.mol2 37                                                        
   1       O    -0.16     3.39    17.38      19.05       0.33     3.72     16
   2       C     0.53   -12.60     6.43      71.23       0.46   -12.14     16
   3       O    -0.14     2.21    15.81      19.04       0.30     2.51     16
   4       C     0.09    -2.98     3.33     -10.47      -0.03    -3.02     16
   5       H     0.33   -15.56     8.14      -2.38      -0.02   -15.58     16
   6       C    -0.15     4.04     5.87      31.88       0.19     4.23     16
   7       C    -0.11     2.06     6.83      31.67       0.22     2.27     16
   8       C    -0.17     1.84     6.60      31.39       0.21     2.05     16
   9       C     0.10    -1.80     3.29      45.79       0.15    -1.65     16
  10       H     0.21    -5.77     7.54      -2.39      -0.02    -5.79     16
  11       N    -1.09     3.24     3.55    -166.09      -0.59     2.65     16
  12       S     2.74    41.75     5.72     -56.49      -0.32    41.43     16
  13       O    -0.98   -30.77    17.28    -128.00      -2.21   -32.99     16
  14       O    -0.91    -7.81    16.65    -128.00      -2.13    -9.94     16
  15       C    -0.66   -19.52     5.95      22.27       0.13   -19.39     16
  16       C    -0.02    -0.31     9.52      22.27       0.21    -0.10     16
  17       C    -0.07    -1.95    10.05      22.27       0.22    -1.72     16
  18       C    -0.11    -6.22     8.62      22.27       0.19    -6.03     16
  19       C     0.40    29.97     4.82      22.26       0.11    30.07     16
  20       F    -0.29   -34.76    16.66      44.97       0.75   -34.01     16
  21       F    -0.59   -67.23    15.31      44.97       0.69   -66.54     16
  22       F    -0.59   -64.56    15.31      44.97       0.69   -63.87     16
  23       F    -0.58   -64.07    15.32      44.97       0.69   -63.38     16
  24       F    -0.60   -68.57    15.31      44.97       0.69   -67.88     16
  25       C    -0.06    -3.51     8.10      22.27       0.18    -3.33     16
  26       H     0.18    -6.34     8.14      -2.39      -0.02    -6.36     16
  27       H     0.12    -2.81     8.05      -2.38      -0.02    -2.83     16
  28       H     0.14    -3.78     8.14      -2.39      -0.02    -3.80     16
  29       H     0.08    -0.88     8.14      -2.39      -0.02    -0.90     16
  30       H     0.14    -1.88     8.14      -2.39      -0.02    -1.90     16
  31       H     0.06     0.26     7.92      -2.38      -0.02     0.24     16
  32       H     0.43    -2.67     7.73     -96.75      -0.75    -3.41     16
  33       H     0.25    -0.66     7.62      -2.91      -0.02    -0.68     16
  34       H     0.23     2.90     8.06      -2.91      -0.02     2.88     16
  35       H     0.12     7.97     7.40      -2.91      -0.02     7.95     16
  36       H     0.12     8.17     6.96      -2.91      -0.02     8.15     16
 Total:         -1.00  -319.19   335.70                  0.12  -319.07