REAL300031910006.mol2 40                                                        
   1       O    -0.52    -7.13    15.97       5.32       0.08    -7.05     16
   2       C     0.57     6.04     7.77     -12.32      -0.10     5.95     16
   3       N    -0.70    -6.22     5.07     -53.95      -0.27    -6.49     16
   4       C     0.12     1.02     4.30     -67.12      -0.29     0.73     16
   5       H     0.11     0.98     7.50     -51.93      -0.39     0.59     16
   6       C    -0.16    -1.68     7.70     -25.78      -0.20    -1.88     16
   7       C     0.12     1.36     4.33     -66.98      -0.29     1.07     16
   8       H     0.11     1.41     7.46     -51.92      -0.39     1.02     16
   9       N    -0.71   -10.02     5.14     -53.93      -0.28   -10.29     16
  10       C     0.61    12.41     7.81     -12.48      -0.10    12.31     16
  11       O    -0.49   -12.10    15.32     -13.01      -0.20   -12.30     16
  12       C    -0.04    -0.82     6.69     -83.92      -0.56    -1.38     16
  13       N    -0.51    -9.12    10.83      24.03       0.26    -8.86     16
  14       S     0.44     7.82    24.20    -107.50      -2.60     5.22     16
  15       N    -0.58   -14.56    12.18      28.50       0.35   -14.21     16
  16       C     0.38    10.37     8.19     -17.49      -0.14    10.23     16
  17       O    -0.62   -20.32    17.64     -37.36      -0.66   -20.98     16
  18       C    -0.15    -1.13     7.58     -25.92      -0.20    -1.32     16
  19       C    -0.10    -0.95     5.87    -104.97      -0.62    -1.57     16
  20       C    -0.07    -0.47     9.54     -39.09      -0.37    -0.84     16
  21       C    -0.10    -0.67    10.02     -39.68      -0.40    -1.07     16
  22       C    -0.05    -0.50     6.31    -104.22      -0.66    -1.16     16
  23       C     0.25     2.94    10.26     -38.85      -0.40     2.55     16
  24       C    -0.07    -0.73     9.64     -38.92      -0.38    -1.10     16
  25       O    -0.59   -10.54    18.54     -56.57      -1.05   -11.59     16
  26       O    -0.47    -7.80    15.05     -56.57      -0.85    -8.65     16
  27       C     0.09     1.00     7.74      35.94       0.28     1.27     16
  28       H     0.40     3.03     4.20     -40.82      -0.17     2.86     16
  29       H     0.10     0.88     8.14     -51.93      -0.42     0.46     16
  30       H     0.08     0.98     8.14     -51.93      -0.42     0.56     16
  31       H     0.39     4.56     5.64     -40.82      -0.23     4.33     16
  32       H     0.08     0.56     8.14     -51.93      -0.42     0.14     16
  33       H     0.11     0.62     8.14     -51.93      -0.42     0.20     16
  34       H     0.15     0.80     6.39     -52.48      -0.34     0.46     16
  35       H     0.17     0.66     8.06     -52.49      -0.42     0.23     16
  36       H     0.18     1.91     7.65     -52.49      -0.40     1.51     16
  37       H     0.35     5.04     9.30      45.56       0.42     5.47     16
  38       H     0.07     0.70     8.14     -51.93      -0.42     0.28     16
  39       H     0.07     0.65     8.14     -51.93      -0.42     0.23     16
 Total:         -1.00   -39.01   358.73                 -8.68   -47.68