REAL300032117228.mol2 43                                                        
   1       O    -0.49   -11.89    15.72     -13.01      -0.20   -12.09     16
   2       C     0.61    11.98     7.81     -12.48      -0.10    11.88     16
   3       N    -0.73    -9.38     5.55     -61.36      -0.34    -9.72     16
   4       C     0.10     0.98     4.91      -4.04      -0.02     0.96     16
   5       C     0.06     0.43     5.02      -4.04      -0.02     0.41     16
   6       N    -0.57    -4.75     2.85    -167.21      -0.48    -5.22     16
   7       C     0.57     5.78     7.26     -12.32      -0.09     5.69     16
   8       O    -0.51    -6.38    12.45       5.32       0.07    -6.32     16
   9       C    -0.10    -0.94     5.59    -104.97      -0.59    -1.53     16
  10       C    -0.10    -0.81     7.49     -39.09      -0.29    -1.10     16
  11       C    -0.10    -0.76    10.02     -39.68      -0.40    -1.16     16
  12       C    -0.05    -0.53     6.31    -104.21      -0.66    -1.19     16
  13       C     0.25     2.96    10.26     -38.85      -0.40     2.56     16
  14       C    -0.07    -0.73     9.64     -38.92      -0.38    -1.11     16
  15       O    -0.60   -10.64    18.54     -56.57      -1.05   -11.69     16
  16       O    -0.46    -7.86    15.05     -56.57      -0.85    -8.71     16
  17       C     0.09     1.03     7.74      35.94       0.28     1.31     16
  18       C     0.07     0.53     6.61     -67.93      -0.45     0.08     16
  19       C    -0.19    -1.64     9.63     -26.69      -0.26    -1.89     16
  20       C    -0.18    -1.64     9.87     -26.69      -0.26    -1.90     16
  21       C    -0.04    -0.84     6.69     -83.92      -0.56    -1.40     16
  22       N    -0.50    -9.26    10.83      24.02       0.26    -9.00     16
  23       S     0.45     8.11    24.20    -107.50      -2.60     5.51     16
  24       N    -0.58   -14.56    12.18      28.49       0.35   -14.22     16
  25       C     0.38    10.27     8.19     -17.49      -0.14    10.13     16
  26       O    -0.62   -20.06    17.64     -37.38      -0.66   -20.72     16
  27       H     0.41     4.23     7.96     -40.82      -0.32     3.90     16
  28       H     0.08     0.94     8.14     -51.93      -0.42     0.52     16
  29       H     0.07     0.83     7.15     -51.93      -0.37     0.46     16
  30       H     0.12     0.66     3.90     -52.77      -0.21     0.45     16
  31       H     0.10     0.49     8.13     -51.93      -0.42     0.07     16
  32       H     0.18     1.33     2.68     -52.49      -0.14     1.19     16
  33       H     0.17     0.90     8.06     -52.48      -0.42     0.48     16
  34       H     0.17     1.75     7.93     -52.48      -0.42     1.33     16
  35       H     0.35     5.06     9.30      45.56       0.42     5.48     16
  36       H     0.07     0.74     8.14     -51.93      -0.42     0.32     16
  37       H     0.07     0.70     8.14     -51.93      -0.42     0.28     16
  38       H     0.14     0.81     8.14     -51.93      -0.42     0.39     16
  39       H     0.13     1.44     5.26     -52.01      -0.27     1.17     16
  40       H     0.09     0.66     8.14     -51.93      -0.42     0.23     16
  41       H     0.10     0.77     8.14     -51.93      -0.42     0.34     16
  42       H     0.10     1.11     7.56     -51.93      -0.39     0.71     16
 Total:         -1.00   -38.20   374.84                 -9.28   -47.48