REAL300032617795.mol2 40                                                        
   1       O    -0.54    -8.78    16.33       5.35       0.09    -8.69     16
   2       C     0.57     7.96     7.78     -12.21      -0.10     7.86     16
   3       N    -0.70    -9.02     4.12     -61.17      -0.25    -9.27     16
   4       C     0.12     1.38     5.36      -4.04      -0.02     1.36     16
   5       C     0.12     1.21     4.07     -72.39      -0.29     0.92     16
   6       C    -0.15    -1.15     8.03     -26.22      -0.21    -1.36     16
   7       C     0.11     1.27     7.61      -8.51      -0.06     1.21     16
   8       N    -0.64    -9.69     3.57    -178.69      -0.64   -10.33     16
   9       C     0.63    13.53     7.96     -12.48      -0.10    13.44     16
  10       O    -0.50   -11.67    13.61     -13.00      -0.18   -11.85     16
  11       C    -0.05    -1.11     6.69     -83.92      -0.56    -1.67     16
  12       N    -0.49   -10.30     9.45      24.03       0.23   -10.07     16
  13       S     0.40     8.32    24.20    -107.50      -2.60     5.71     16
  14       N    -0.59   -16.20    12.18      28.50       0.35   -15.85     16
  15       C     0.38    11.20     8.19     -17.49      -0.14    11.06     16
  16       O    -0.65   -22.05    17.64     -37.39      -0.66   -22.71     16
  17       C    -0.11    -1.33     5.88    -104.89      -0.62    -1.95     16
  18       C    -0.04    -0.41     9.53     -39.20      -0.37    -0.78     16
  19       C    -0.12    -1.42    10.08     -39.37      -0.40    -1.81     16
  20       C     0.28     3.81    10.27     -38.82      -0.40     3.41     16
  21       C    -0.09    -1.07     6.30    -104.38      -0.66    -1.73     16
  22       C    -0.04    -0.46     9.58     -39.23      -0.38    -0.84     16
  23       C     0.09     1.21     7.74      35.93       0.28     1.49     16
  24       O    -0.46    -8.18    15.05     -56.57      -0.85    -9.03     16
  25       O    -0.58   -10.56    18.54     -56.57      -1.05   -11.61     16
  26       H     0.41     5.05     5.37     -40.82      -0.22     4.83     16
  27       H     0.08     1.09     8.14     -51.92      -0.42     0.67     16
  28       H     0.08     0.78     8.14     -51.93      -0.42     0.35     16
  29       H     0.10     0.78     8.14     -51.93      -0.42     0.35     16
  30       H     0.10     0.79     8.12     -51.93      -0.42     0.37     16
  31       H     0.09     0.45     8.14     -51.93      -0.42     0.03     16
  32       H     0.08     0.77     8.14     -51.93      -0.42     0.35     16
  33       H     0.09     1.13     7.29     -51.93      -0.38     0.75     16
  34       H     0.17     1.63     6.39     -52.48      -0.34     1.29     16
  35       H     0.17     1.68     8.06     -52.49      -0.42     1.26     16
  36       H     0.17     1.71     7.64     -52.49      -0.40     1.31     16
  37       H     0.07     0.75     8.14     -51.93      -0.42     0.33     16
  38       H     0.07     0.85     8.14     -51.93      -0.42     0.43     16
  39       H     0.35     5.21     9.30      45.56       0.42     5.63     16
 Total:         -1.00   -40.84   358.91                 -8.90   -49.74