REAL300007722956.mol2 37                                                        
   1       C    -0.19    -3.06    14.32      67.78       0.97    -2.09     16
   2       C    -0.17    -3.20     9.52      25.64       0.24    -2.95     16
   3       C    -0.09    -1.77     5.54      29.85       0.17    -1.60     16
   4       C    -0.10    -2.96     4.78      30.60       0.15    -2.82     16
   5       C     0.11     3.85     2.64      44.25       0.12     3.97     16
   6       N    -1.08   -31.33     4.43    -172.51      -0.76   -32.10     16
   7       S     2.71    70.00     5.65     -56.49      -0.32    69.68     16
   8       O    -0.96   -24.78    17.28    -128.00      -2.21   -26.99     16
   9       O    -0.97   -35.98    17.05    -128.00      -2.18   -38.17     16
  10       C    -0.67    -9.84     5.82      22.27       0.13    -9.72     16
  11       C     0.04     0.62     8.89      22.27       0.20     0.82     16
  12       C    -0.12    -1.67     8.62      22.27       0.19    -1.48     16
  13       C     0.39     6.36     4.82      22.27       0.11     6.47     16
  14       F    -0.21    -7.87    16.65      44.97       0.75    -7.12     16
  15       F    -0.15    -4.16    15.31      44.97       0.69    -3.47     16
  16       F    -0.17    -4.99    15.31      44.97       0.69    -4.30     16
  17       F    -0.16    -4.47    15.30      44.97       0.69    -3.78     16
  18       F    -0.16    -4.68    15.32      44.97       0.69    -3.99     16
  19       C    -0.12    -1.10     8.62      22.27       0.19    -0.91     16
  20       C     0.06     0.51     9.52      22.27       0.21     0.72     16
  21       C     0.46    26.47     7.36      71.24       0.52    27.00     16
  22       O    -0.74   -48.81    18.00      19.05       0.34   -48.47     16
  23       O    -0.72   -46.79    17.36      19.07       0.33   -46.45     16
  24       H     0.11     1.41     7.84      -2.91      -0.02     1.38     16
  25       H     0.10     1.46     8.06      -2.91      -0.02     1.43     16
  26       H     0.10     2.05     8.06      -2.91      -0.02     2.02     16
  27       H     0.08     1.41     8.14      -2.39      -0.02     1.39     16
  28       H     0.09     1.31     7.40      -2.39      -0.02     1.29     16
  29       H     0.06     1.98     8.14      -2.39      -0.02     1.96     16
  30       H     0.06     2.20     8.14      -2.39      -0.02     2.18     16
  31       H     0.10     3.17     7.21      -2.39      -0.02     3.16     16
  32       H     0.43    10.71     8.84     -96.74      -0.85     9.85     16
  33       H     0.20     2.74     7.62      -2.91      -0.02     2.72     16
  34       H     0.20     2.37     7.40      -2.91      -0.02     2.35     16
  35       H     0.21     1.14     7.40      -2.91      -0.02     1.11     16
  36       H     0.23     0.19     7.62      -2.91      -0.02     0.17     16
 Total:         -1.00   -97.53   349.99                  0.79   -96.74