REAL300025567955.mol2 25                                                        
   1       O    -0.63   -42.60    18.07      18.13       0.33   -42.27     15
   2       C     0.45    27.89     9.62     130.00       1.25    29.14     15
   3       N    -0.63   -34.22    10.87    -431.17      -4.69   -38.91     15
   4       C     0.19     8.90     7.90     138.21       1.09    10.00     15
   5       C    -0.02    -0.61     5.98      29.85       0.18    -0.43     15
   6       C     0.13     3.81     3.77      86.38       0.33     4.13     15
   7       N    -1.10   -24.66     6.00    -187.49      -1.12   -25.79     15
   8       S     2.72    68.74     5.47     -56.49      -0.31    68.43     15
   9       O    -0.97   -30.74    16.57    -128.00      -2.12   -32.86     15
  10       O    -0.96   -25.00    17.35    -128.00      -2.22   -27.22     15
  11       C    -0.68   -16.03     5.81      21.25       0.12   -15.91     15
  12       C    -0.06    -1.55     6.83      66.74       0.46    -1.10     15
  13       Cl    0.04     1.23    22.78      -2.72      -0.06     1.16     15
  14       S     0.30     5.85    23.34     -56.49      -1.32     4.53     15
  15       C    -0.22    -4.14     6.96      66.73       0.46    -3.68     15
  16       Br    0.05     0.69    34.07     -20.37      -0.69    -0.01     15
  17       C    -0.02    -0.43     9.62      21.25       0.20    -0.23     15
  18       N    -0.49   -25.93    12.33     -53.61      -0.66   -26.59     15
  19       O    -0.08    -4.95    11.35      93.25       1.06    -3.90     15
  20       H     0.11     3.02     8.14      -2.39      -0.02     3.00     15
  21       H     0.12     2.99     8.14      -2.39      -0.02     2.97     15
  22       H     0.07     2.31     6.21      -2.39      -0.01     2.30     15
  23       H     0.07     2.54     6.48      -2.39      -0.02     2.52     15
  24       H     0.44     6.82     8.65     -96.74      -0.84     5.98     15
  25       H     0.19     3.01     7.74      -2.91      -0.02     2.99     15
 Total:         -1.00   -73.08   280.07                 -8.65   -81.73