REAL300032273049.mol2 40                                                        
   1       O    -0.50   -11.66    15.36     -13.01      -0.20   -11.86     16
   2       C     0.61    12.09     7.81     -12.48      -0.10    11.99     16
   3       N    -0.72    -9.62     5.10     -53.07      -0.27    -9.89     16
   4       C     0.14     1.38     3.32     -66.09      -0.22     1.17     16
   5       H     0.11     1.28     7.55     -51.93      -0.39     0.88     16
   6       C    -0.14    -0.96     6.71     -24.58      -0.17    -1.12     16
   7       C     0.11     0.81     6.94      -2.53      -0.02     0.79     16
   8       N    -0.61    -5.41     3.33    -176.07      -0.59    -6.00     16
   9       C     0.58     6.24     7.81     -12.32      -0.10     6.15     16
  10       O    -0.52    -7.14    16.60       5.32       0.09    -7.05     16
  11       C    -0.10    -0.91     5.87    -104.97      -0.62    -1.53     16
  12       C    -0.11    -0.83     8.61     -39.09      -0.34    -1.17     16
  13       C    -0.10    -0.73    10.02     -39.68      -0.40    -1.13     16
  14       C    -0.05    -0.50     6.31    -104.21      -0.66    -1.15     16
  15       C     0.25     2.85    10.26     -38.85      -0.40     2.45     16
  16       C    -0.07    -0.71     9.63     -38.93      -0.38    -1.09     16
  17       O    -0.57    -9.46    18.54     -56.57      -1.05   -10.51     16
  18       O    -0.45    -7.20    15.05     -56.57      -0.85    -8.05     16
  19       C     0.09     0.94     7.74      35.94       0.28     1.21     16
  20       C     0.07     0.57     4.62      -3.06      -0.01     0.56     16
  21       C    -0.05    -1.22     6.69     -83.91      -0.56    -1.78     16
  22       N    -0.50    -9.86    10.83      24.02       0.26    -9.60     16
  23       S     0.41     8.13    24.20    -107.50      -2.60     5.53     16
  24       N    -0.59   -15.55    12.18      28.49       0.35   -15.21     16
  25       C     0.38    10.80     8.19     -17.49      -0.14    10.65     16
  26       O    -0.65   -21.54    17.64     -37.36      -0.66   -22.20     16
  27       H     0.41     4.84     8.05     -40.82      -0.33     4.51     16
  28       H     0.09     0.55     8.01     -51.93      -0.42     0.13     16
  29       H     0.10     0.56     8.14     -51.93      -0.42     0.14     16
  30       H     0.09     0.67     7.98     -51.93      -0.41     0.25     16
  31       H     0.08     0.53     8.14     -51.93      -0.42     0.11     16
  32       H     0.19     1.36     2.73     -58.23      -0.16     1.21     16
  33       H     0.17     0.87     8.06     -52.49      -0.42     0.45     16
  34       H     0.18     1.82     7.67     -52.49      -0.40     1.42     16
  35       H     0.35     4.62     9.30      45.56       0.42     5.04     16
  36       H     0.08     0.71     8.14     -51.93      -0.42     0.29     16
  37       H     0.08     0.70     8.14     -51.93      -0.42     0.27     16
  38       H     0.09     0.81     6.74     -51.93      -0.35     0.46     16
  39       H     0.09     0.74     6.62     -51.93      -0.34     0.39     16
 Total:         -1.00   -39.45   354.64                 -8.49   -47.94