REAL300031112635.mol2 42                                                        
   1       C    -0.16    -1.82     9.48      37.15       0.35    -1.46     16
   2       C     0.13     1.58     2.88     -67.93      -0.20     1.38     16
   3       C     0.11     1.00     5.04      -4.04      -0.02     0.98     16
   4       N    -0.60    -5.63     2.73    -182.69      -0.50    -6.13     16
   5       C     0.06     0.40     7.54      59.85       0.45     0.85     16
   6       C     0.57     6.73     7.32     -12.32      -0.09     6.64     16
   7       O    -0.51    -7.94    16.57       5.32       0.09    -7.85     16
   8       C    -0.09    -0.96     5.15    -104.97      -0.54    -1.50     16
   9       C    -0.08    -0.62     7.62     -39.09      -0.30    -0.91     16
  10       C    -0.10    -0.75    10.02     -39.68      -0.40    -1.15     16
  11       C    -0.06    -0.60     6.31    -104.21      -0.66    -1.25     16
  12       C     0.25     3.13    10.26     -38.85      -0.40     2.73     16
  13       C    -0.08    -0.84     9.69     -38.92      -0.38    -1.22     16
  14       O    -0.60   -11.07    18.54     -56.57      -1.05   -12.12     16
  15       O    -0.47    -8.18    15.05     -56.57      -0.85    -9.03     16
  16       C     0.09     1.07     7.74      35.94       0.28     1.35     16
  17       N    -0.72   -10.50     4.42     -54.86      -0.24   -10.74     16
  18       C     0.60    12.59     7.77     -12.48      -0.10    12.49     16
  19       O    -0.50   -12.62    15.38     -13.01      -0.20   -12.82     16
  20       C    -0.03    -0.75     6.69     -83.92      -0.56    -1.31     16
  21       N    -0.51    -9.28    10.83      24.03       0.26    -9.02     16
  22       S     0.44     7.94    24.20    -107.50      -2.60     5.34     16
  23       N    -0.58   -14.60    12.18      28.50       0.35   -14.25     16
  24       C     0.38    10.37     8.19     -17.49      -0.14    10.22     16
  25       O    -0.61   -20.26    17.64     -37.36      -0.66   -20.92     16
  26       H     0.06     0.54     8.14     -51.93      -0.42     0.12     16
  27       H     0.07     0.63     8.14     -51.93      -0.42     0.20     16
  28       H     0.07     0.99     8.14     -51.93      -0.42     0.57     16
  29       H     0.10     1.55     7.58     -51.93      -0.39     1.16     16
  30       H     0.10     0.92     7.49     -51.93      -0.39     0.54     16
  31       H     0.09     0.54     7.86     -51.93      -0.41     0.13     16
  32       H     0.07     0.53     6.43     -51.93      -0.33     0.19     16
  33       H     0.08     0.39     5.99     -51.93      -0.31     0.08     16
  34       H     0.08     0.38     7.83     -51.93      -0.41    -0.03     16
  35       H     0.16     1.15     5.51     -52.49      -0.29     0.87     16
  36       H     0.17     0.72     8.06     -52.49      -0.42     0.29     16
  37       H     0.17     1.89     8.06     -52.49      -0.42     1.46     16
  38       H     0.34     5.24     9.30      45.56       0.42     5.67     16
  39       H     0.07     0.66     8.14     -51.93      -0.42     0.23     16
  40       H     0.07     0.71     8.14     -51.93      -0.42     0.29     16
  41       H     0.40     4.82     6.67     -40.82      -0.27     4.55     16
 Total:         -1.00   -39.95   370.73                 -7.86   -47.81