REAL300031985192.mol2 39                                                        
   1       C    -0.16    -1.64     9.48      37.16       0.35    -1.28     16
   2       C     0.13     1.40     2.73     -67.93      -0.19     1.22     16
   3       C     0.11     0.98     5.23      -4.04      -0.02     0.96     16
   4       N    -0.72    -6.28     5.34     -61.25      -0.33    -6.61     16
   5       C     0.57     5.83     7.77     -12.32      -0.10     5.73     16
   6       O    -0.52    -7.05    16.35       5.33       0.09    -6.96     16
   7       C    -0.10    -0.90     5.87    -104.97      -0.62    -1.52     16
   8       C    -0.07    -0.47     9.54     -39.09      -0.37    -0.84     16
   9       C    -0.10    -0.67    10.02     -39.68      -0.40    -1.07     16
  10       C    -0.05    -0.51     6.31    -104.21      -0.66    -1.17     16
  11       C     0.25     2.90    10.26     -38.85      -0.40     2.50     16
  12       C    -0.07    -0.71     9.64     -38.92      -0.38    -1.09     16
  13       O    -0.59   -10.44    18.54     -56.57      -1.05   -11.48     16
  14       O    -0.47    -7.78    15.05     -56.57      -0.85    -8.63     16
  15       C     0.09     0.99     7.74      35.94       0.28     1.27     16
  16       N    -0.73    -9.86     4.51     -54.86      -0.25   -10.11     16
  17       C     0.60    11.88     7.77     -12.48      -0.10    11.78     16
  18       O    -0.50   -11.64    15.38     -13.01      -0.20   -11.84     16
  19       C    -0.04    -0.90     6.69     -83.92      -0.56    -1.46     16
  20       N    -0.50    -9.49    10.83      24.02       0.26    -9.23     16
  21       S     0.44     8.19    24.20    -107.50      -2.60     5.59     16
  22       N    -0.59   -14.65    12.18      28.49       0.35   -14.31     16
  23       C     0.38    10.27     8.19     -17.49      -0.14    10.12     16
  24       O    -0.62   -20.04    17.64     -37.37      -0.66   -20.70     16
  25       H     0.06     0.57     8.14     -51.93      -0.42     0.14     16
  26       H     0.07     0.54     8.14     -51.93      -0.42     0.12     16
  27       H     0.07     0.93     8.14     -51.93      -0.42     0.51     16
  28       H     0.10     1.14     7.58     -51.93      -0.39     0.75     16
  29       H     0.08     0.70     8.14     -51.93      -0.42     0.28     16
  30       H     0.09     0.71     8.14     -51.93      -0.42     0.29     16
  31       H     0.41     3.23     6.17     -40.82      -0.25     2.98     16
  32       H     0.15     0.78     6.39     -52.49      -0.34     0.45     16
  33       H     0.17     0.64     8.06     -52.49      -0.42     0.21     16
  34       H     0.18     1.87     7.65     -52.49      -0.40     1.47     16
  35       H     0.35     4.98     9.30      45.56       0.42     5.41     16
  36       H     0.07     0.67     8.14     -51.93      -0.42     0.25     16
  37       H     0.07     0.66     8.14     -51.93      -0.42     0.23     16
  38       H     0.41     4.99     8.09     -40.82      -0.33     4.66     16
 Total:         -1.00   -38.18   357.51                 -7.82   -45.99