REAL300032323350.mol2 42                                                        
   1       C    -0.15    -2.02     8.51      37.16       0.32    -1.71     16
   2       C    -0.13    -1.33     5.61     -26.73      -0.15    -1.48     16
   3       C     0.13     1.41     2.41     -67.93      -0.16     1.25     16
   4       C     0.11     0.98     5.23      -4.04      -0.02     0.96     16
   5       N    -0.72    -6.24     5.34     -61.25      -0.33    -6.57     16
   6       C     0.57     5.82     7.77     -12.32      -0.10     5.72     16
   7       O    -0.52    -7.05    16.35       5.33       0.09    -6.96     16
   8       C    -0.10    -0.90     5.87    -104.97      -0.62    -1.52     16
   9       C    -0.07    -0.47     9.54     -39.09      -0.37    -0.84     16
  10       C    -0.10    -0.68    10.02     -39.68      -0.40    -1.07     16
  11       C    -0.05    -0.51     6.31    -104.21      -0.66    -1.17     16
  12       C     0.25     2.92    10.26     -38.85      -0.40     2.52     16
  13       C    -0.07    -0.72     9.64     -38.92      -0.38    -1.09     16
  14       O    -0.60   -10.53    18.54     -56.57      -1.05   -11.58     16
  15       O    -0.47    -7.84    15.05     -56.57      -0.85    -8.69     16
  16       C     0.09     1.00     7.74      35.94       0.28     1.28     16
  17       N    -0.73    -9.65     4.47     -54.86      -0.25    -9.90     16
  18       C     0.60    11.51     6.37     -12.48      -0.08    11.43     16
  19       O    -0.49   -10.97    12.85     -13.00      -0.17   -11.13     16
  20       C    -0.04    -0.87     6.69     -83.92      -0.56    -1.43     16
  21       N    -0.50    -9.41    10.83      24.03       0.26    -9.15     16
  22       S     0.44     8.14    24.20    -107.50      -2.60     5.53     16
  23       N    -0.59   -14.54    12.18      28.50       0.35   -14.19     16
  24       C     0.38    10.13     8.19     -17.49      -0.14     9.99     16
  25       O    -0.62   -19.72    17.64     -37.38      -0.66   -20.38     16
  26       H     0.05     0.56     8.14     -51.93      -0.42     0.14     16
  27       H     0.06     1.08     5.64     -51.93      -0.29     0.79     16
  28       H     0.06     0.93     7.84     -51.93      -0.41     0.52     16
  29       H     0.07     0.60     8.14     -51.93      -0.42     0.17     16
  30       H     0.07     0.65     8.14     -51.93      -0.42     0.23     16
  31       H     0.10     1.15     7.58     -51.93      -0.39     0.75     16
  32       H     0.09     0.71     8.14     -51.93      -0.42     0.29     16
  33       H     0.08     0.70     8.14     -51.93      -0.42     0.28     16
  34       H     0.41     3.20     6.17     -40.82      -0.25     2.94     16
  35       H     0.15     0.78     6.39     -52.49      -0.34     0.44     16
  36       H     0.17     0.64     8.06     -52.49      -0.42     0.22     16
  37       H     0.18     1.88     7.65     -52.49      -0.40     1.48     16
  38       H     0.35     5.02     9.30      45.56       0.42     5.44     16
  39       H     0.07     0.65     8.14     -51.93      -0.42     0.23     16
  40       H     0.07     0.68     8.14     -51.93      -0.42     0.25     16
  41       H     0.40     4.93     8.09     -40.82      -0.33     4.60     16
 Total:         -1.00   -37.37   371.34                 -8.42   -45.79