REAL300033780562.mol2 43                                                        
   1       C    -0.14    -0.98     8.85      37.16       0.33    -0.65     16
   2       C    -0.11    -0.76     3.53     -88.35      -0.31    -1.08     16
   3       H     0.10     0.57     8.14     -51.93      -0.42     0.14     16
   4       C     0.11     0.89     6.34      -2.41      -0.02     0.87     16
   5       N    -0.61    -5.69     3.32    -175.71      -0.58    -6.27     16
   6       C     0.58     6.33     7.81     -12.22      -0.10     6.23     16
   7       O    -0.53    -7.13    16.66       5.35       0.09    -7.04     16
   8       C    -0.12    -1.13     5.88    -104.88      -0.62    -1.74     16
   9       C    -0.09    -0.79     8.59     -39.20      -0.34    -1.13     16
  10       C    -0.12    -1.23    10.08     -39.37      -0.40    -1.63     16
  11       C     0.28     3.44    10.27     -38.82      -0.40     3.04     16
  12       C    -0.09    -0.97     6.30    -104.38      -0.66    -1.63     16
  13       C    -0.04    -0.40     9.58     -39.23      -0.38    -0.77     16
  14       C     0.10     1.16     7.74      35.93       0.28     1.44     16
  15       O    -0.47    -8.21    15.05     -56.57      -0.85    -9.06     16
  16       O    -0.59   -10.69    18.54     -56.57      -1.05   -11.74     16
  17       C     0.07     0.59     4.61      -3.06      -0.01     0.58     16
  18       C     0.14     1.39     3.01     -66.09      -0.20     1.19     16
  19       H     0.12     1.20     7.69     -51.93      -0.40     0.80     16
  20       N    -0.72    -9.67     4.56     -53.08      -0.24    -9.92     16
  21       C     0.61    11.93     7.80     -12.49      -0.10    11.83     16
  22       O    -0.50   -11.41    15.45     -13.00      -0.20   -11.61     16
  23       C    -0.04    -0.97     6.69     -83.92      -0.56    -1.53     16
  24       N    -0.50    -9.76    10.83      24.03       0.26    -9.50     16
  25       S     0.44     8.37    24.20    -107.50      -2.60     5.77     16
  26       N    -0.59   -15.01    12.18      28.50       0.35   -14.66     16
  27       C     0.38    10.48     8.19     -17.49      -0.14    10.34     16
  28       O    -0.62   -20.35    17.64     -37.36      -0.66   -21.01     16
  29       H     0.06     0.49     6.37     -51.93      -0.33     0.16     16
  30       H     0.06     0.35     8.14     -51.93      -0.42    -0.07     16
  31       H     0.07     0.52     8.14     -51.93      -0.42     0.10     16
  32       H     0.08     0.65     7.99     -51.93      -0.41     0.23     16
  33       H     0.09     0.68     8.09     -51.93      -0.42     0.26     16
  34       H     0.20     1.56     2.75     -58.07      -0.16     1.40     16
  35       H     0.17     1.53     8.06     -52.49      -0.42     1.10     16
  36       H     0.17     1.34     7.66     -52.49      -0.40     0.94     16
  37       H     0.07     0.69     8.14     -51.93      -0.42     0.27     16
  38       H     0.07     0.72     8.14     -51.93      -0.42     0.30     16
  39       H     0.35     5.20     9.30      45.56       0.42     5.63     16
  40       H     0.09     0.65     6.65     -51.93      -0.35     0.31     16
  41       H     0.09     0.97     6.71     -51.93      -0.35     0.62     16
  42       H     0.41     5.02     6.39     -40.82      -0.26     4.76     16
 Total:         -1.00   -38.42   372.05                 -8.69   -47.11