REAL300007607676.mol2 37                                                        
   1       C    -0.15    -5.16     7.73      71.98       0.56    -4.60     16
   2       C     0.08     3.08     3.03      44.24       0.13     3.21     16
   3       C     0.47    25.15     5.94      71.24       0.42    25.57     16
   4       O    -0.69   -38.17    14.04      19.02       0.27   -37.91     16
   5       O    -0.75   -47.14    18.00      19.04       0.34   -46.79     16
   6       N    -0.94   -29.14     2.87    -475.06      -1.37   -30.50     16
   7       C     0.08     2.36     5.33      44.99       0.24     2.60     16
   8       C    -0.16    -5.43     7.38      30.59       0.23    -5.21     16
   9       C    -0.19    -4.60     9.61      30.59       0.29    -4.31     16
  10       S     2.71    67.95     5.69     -56.49      -0.32    67.63     16
  11       O    -0.94   -22.70    16.49    -128.00      -2.11   -24.81     16
  12       O    -0.96   -27.46    15.84    -128.00      -2.03   -29.48     16
  13       C    -0.68   -14.43     5.97      22.27       0.13   -14.30     16
  14       C     0.04     0.88     9.52      22.27       0.21     1.09     16
  15       C    -0.13    -2.91     8.62      22.27       0.19    -2.71     16
  16       C     0.39     9.68     4.82      22.27       0.11     9.78     16
  17       F    -0.20    -8.71    16.66      44.97       0.75    -7.96     16
  18       F    -0.16    -5.85    15.31      44.97       0.69    -5.16     16
  19       F    -0.16    -5.66    15.31      44.97       0.69    -4.97     16
  20       F    -0.16    -5.12    15.31      44.97       0.69    -4.43     16
  21       F    -0.17    -6.55    15.31      44.97       0.69    -5.86     16
  22       C    -0.12    -2.21     8.62      22.27       0.19    -2.02     16
  23       C     0.06     0.88     9.52      22.27       0.21     1.09     16
  24       H     0.08     2.24     7.72      -2.38      -0.02     2.22     16
  25       H     0.07     2.48     4.00      -2.39      -0.01     2.47     16
  26       H     0.06     2.11     8.14      -2.39      -0.02     2.09     16
  27       H     0.10     3.81     6.90      -2.39      -0.02     3.80     16
  28       H     0.15     3.28     8.07      -2.39      -0.02     3.26     16
  29       H     0.09     2.93     8.14      -2.39      -0.02     2.91     16
  30       H     0.08     3.29     3.73      -2.39      -0.01     3.28     16
  31       H     0.10     2.43     5.74      -2.39      -0.01     2.41     16
  32       H     0.12     2.26     8.14      -2.39      -0.02     2.24     16
  33       H     0.21     3.68     7.62      -2.91      -0.02     3.66     16
  34       H     0.20     3.97     7.40      -2.91      -0.02     3.95     16
  35       H     0.22     2.84     7.40      -2.91      -0.02     2.81     16
  36       H     0.23     1.82     7.62      -2.91      -0.02     1.79     16
 Total:         -1.00   -84.13   327.56                  0.98   -83.15