REAL300031134005.mol2 43                                                        
   1       C    -0.19    -0.64     7.79      37.16       0.29    -0.35     16
   2       C     0.11     0.58     2.70     -66.95      -0.18     0.39     16
   3       C    -0.13    -0.78     6.11     -24.90      -0.15    -0.93     16
   4       C     0.14     1.50     3.44     -65.66      -0.23     1.28     16
   5       N    -0.72   -10.09     5.19     -52.66      -0.27   -10.36     16
   6       C     0.61    12.58     7.81     -12.48      -0.10    12.48     16
   7       O    -0.49   -12.24    15.36     -13.00      -0.20   -12.44     16
   8       C    -0.04    -0.91     6.69     -83.92      -0.56    -1.47     16
   9       N    -0.50    -9.80    10.83      24.02       0.26    -9.54     16
  10       S     0.44     8.39    24.20    -107.50      -2.60     5.79     16
  11       N    -0.59   -15.06    12.18      28.50       0.35   -14.71     16
  12       C     0.38    10.63     8.19     -17.49      -0.14    10.49     16
  13       O    -0.62   -20.63    17.64     -37.35      -0.66   -21.29     16
  14       C     0.09     1.10     6.60      -2.41      -0.02     1.08     16
  15       N    -0.60    -5.63     3.06    -168.07      -0.51    -6.15     16
  16       C     0.58     6.59     7.57     -12.32      -0.09     6.49     16
  17       O    -0.52    -8.09    16.63       5.32       0.09    -8.00     16
  18       C    -0.10    -0.87     5.32    -104.97      -0.56    -1.43     16
  19       C    -0.11    -0.55     6.47     -39.09      -0.25    -0.81     16
  20       C    -0.11    -0.51    10.02     -39.68      -0.40    -0.90     16
  21       C    -0.05    -0.44     6.31    -104.21      -0.66    -1.10     16
  22       C     0.24     2.75    10.26     -38.85      -0.40     2.35     16
  23       C    -0.07    -0.69     9.64     -38.93      -0.38    -1.07     16
  24       O    -0.59   -10.29    18.54     -56.57      -1.05   -11.34     16
  25       O    -0.47    -7.58    15.05     -56.57      -0.85    -8.44     16
  26       C     0.09     0.91     7.74      35.94       0.28     1.19     16
  27       H     0.07     0.30     7.70     -51.93      -0.40    -0.10     16
  28       H     0.08     0.07     8.11     -51.92      -0.42    -0.35     16
  29       H     0.07     0.33     4.78     -51.93      -0.25     0.08     16
  30       H     0.10     0.31     6.12     -51.93      -0.32    -0.01     16
  31       H     0.10     0.41     8.14     -51.93      -0.42    -0.01     16
  32       H     0.09     0.44     7.44     -51.93      -0.39     0.05     16
  33       H     0.11     1.39     7.54     -51.93      -0.39     1.00     16
  34       H     0.41     4.89     8.06     -40.82      -0.33     4.56     16
  35       H     0.08     0.90     8.14     -51.93      -0.42     0.48     16
  36       H     0.09     1.35     8.07     -51.93      -0.42     0.93     16
  37       H     0.19     0.55     2.01     -58.01      -0.12     0.43     16
  38       H     0.17     0.13     8.06     -52.49      -0.42    -0.29     16
  39       H     0.18     1.96     7.66     -52.49      -0.40     1.56     16
  40       H     0.35     4.93     9.30      45.56       0.42     5.36     16
  41       H     0.07     0.55     8.14     -51.93      -0.42     0.12     16
  42       H     0.07     0.57     8.14     -51.93      -0.42     0.15     16
 Total:         -1.00   -40.70   368.77                 -8.56   -49.26