REAL300032381159.mol2 45                                                        
   1       C    -0.15    -1.27     8.94      37.16       0.33    -0.94     16
   2       C    -0.11    -1.11     2.46     -90.62      -0.22    -1.33     16
   3       C     0.13     1.34     5.06      -4.04      -0.02     1.32     16
   4       N    -0.73    -6.74     5.28     -60.29      -0.32    -7.06     16
   5       C     0.52     6.13     7.71     -10.99      -0.08     6.05     16
   6       O    -0.52    -8.88    15.44      -8.08      -0.12    -9.00     16
   7       C    -0.16    -1.34     5.39     -27.88      -0.15    -1.49     16
   8       C     0.13     1.48     3.12     -27.97      -0.09     1.39     16
   9       O    -0.40    -6.72    13.97     -63.29      -0.88    -7.61     16
  10       O    -0.62   -10.58    18.54     -56.58      -1.05   -11.63     16
  11       C     0.24     2.23    10.27     -38.81      -0.40     1.83     16
  12       C    -0.12    -0.66    10.09     -39.33      -0.40    -1.06     16
  13       C    -0.08    -0.18    10.04     -39.59      -0.40    -0.57     16
  14       C    -0.11    -0.17    10.04     -39.47      -0.40    -0.57     16
  15       C    -0.10    -0.31    10.04     -39.63      -0.40    -0.71     16
  16       C    -0.08    -0.59     5.56    -104.35      -0.58    -1.17     16
  17       C     0.13     1.78     5.06      -4.04      -0.02     1.76     16
  18       N    -0.73   -12.15     5.28     -61.36      -0.32   -12.48     16
  19       C     0.60    13.91     7.81     -12.48      -0.10    13.81     16
  20       O    -0.50   -13.56    15.72     -13.01      -0.20   -13.76     16
  21       C    -0.04    -0.87     6.69     -83.92      -0.56    -1.43     16
  22       N    -0.50   -10.62    10.83      24.02       0.26   -10.36     16
  23       S     0.43     8.76    24.20    -107.50      -2.60     6.16     16
  24       N    -0.59   -15.77    12.18      28.50       0.35   -15.42     16
  25       C     0.38    11.15     8.19     -17.49      -0.14    11.01     16
  26       O    -0.62   -21.48    17.64     -37.39      -0.66   -22.14     16
  27       H     0.06     0.58     7.18     -51.93      -0.37     0.21     16
  28       H     0.06     0.36     7.18     -51.93      -0.37    -0.01     16
  29       H     0.06     0.56     8.14     -51.94      -0.42     0.14     16
  30       H     0.08     0.76     8.14     -51.93      -0.42     0.33     16
  31       H     0.07     0.82     8.14     -51.93      -0.42     0.40     16
  32       H     0.07     0.88     8.14     -51.93      -0.42     0.46     16
  33       H     0.40     2.44     7.66     -40.82      -0.31     2.13     16
  34       H     0.10     0.43     8.14     -51.93      -0.42     0.00     16
  35       H     0.10     0.79     8.14     -51.93      -0.42     0.37     16
  36       H     0.09     1.05     7.93     -51.93      -0.41     0.64     16
  37       H     0.34     5.21     9.30      45.56       0.42     5.63     16
  38       H     0.16     0.71     8.06     -52.49      -0.42     0.28     16
  39       H     0.16    -0.15     8.06     -52.49      -0.42    -0.57     16
  40       H     0.15    -0.18     8.06     -52.49      -0.42    -0.60     16
  41       H     0.16     0.11     8.06     -52.49      -0.42    -0.31     16
  42       H     0.07     1.02     8.14     -51.93      -0.42     0.60     16
  43       H     0.07     1.03     8.14     -51.93      -0.42     0.61     16
  44       H     0.40     5.91     7.14     -40.82      -0.29     5.61     16
 Total:         -1.00   -43.90   399.32                 -9.58   -53.48