REAL300032605585.mol2 43                                                        
   1       O    -0.49   -11.07    12.76     -13.01      -0.17   -11.24     16
   2       C     0.61    11.62     7.14     -12.48      -0.09    11.53     16
   3       N    -0.72    -9.74     4.49     -54.86      -0.25    -9.98     16
   4       C     0.17     1.82     2.43     -67.93      -0.17     1.65     16
   5       C     0.12     1.05     5.21      -4.04      -0.02     1.03     16
   6       N    -0.72    -6.28     5.34     -61.24      -0.33    -6.61     16
   7       C     0.57     5.81     7.77     -12.32      -0.10     5.72     16
   8       O    -0.52    -7.03    16.35       5.33       0.09    -6.95     16
   9       C    -0.10    -0.89     5.87    -104.97      -0.62    -1.51     16
  10       C    -0.07    -0.46     9.54     -39.10      -0.37    -0.84     16
  11       C    -0.10    -0.67    10.02     -39.68      -0.40    -1.06     16
  12       C    -0.05    -0.51     6.31    -104.21      -0.66    -1.16     16
  13       C     0.25     2.89    10.26     -38.85      -0.40     2.49     16
  14       C    -0.07    -0.71     9.64     -38.92      -0.38    -1.08     16
  15       O    -0.59   -10.39    18.54     -56.57      -1.05   -11.43     16
  16       O    -0.47    -7.75    15.05     -56.57      -0.85    -8.60     16
  17       C     0.09     0.99     7.74      35.94       0.28     1.27     16
  18       C    -0.17    -1.90     5.36     -90.62      -0.49    -2.38     16
  19       C    -0.17    -1.84    10.18     -26.73      -0.27    -2.11     16
  20       C    -0.18    -2.41     9.74     -26.73      -0.26    -2.67     16
  21       C    -0.04    -0.89     6.69     -83.92      -0.56    -1.45     16
  22       N    -0.50    -9.42    10.83      24.02       0.26    -9.16     16
  23       S     0.44     8.14    24.20    -107.50      -2.60     5.53     16
  24       N    -0.59   -14.58    12.18      28.49       0.35   -14.23     16
  25       C     0.38    10.16     8.19     -17.49      -0.14    10.01     16
  26       O    -0.62   -19.79    17.64     -37.38      -0.66   -20.45     16
  27       H     0.41     5.00     8.09     -40.82      -0.33     4.67     16
  28       H     0.10     1.18     7.33     -51.93      -0.38     0.80     16
  29       H     0.08     0.72     8.14     -51.93      -0.42     0.30     16
  30       H     0.09     0.77     8.14     -51.92      -0.42     0.35     16
  31       H     0.41     3.20     6.17     -40.82      -0.25     2.95     16
  32       H     0.15     0.77     6.39     -52.49      -0.34     0.44     16
  33       H     0.17     0.63     8.06     -52.49      -0.42     0.21     16
  34       H     0.18     1.86     7.65     -52.48      -0.40     1.46     16
  35       H     0.35     4.97     9.30      45.56       0.42     5.39     16
  36       H     0.07     0.65     8.14     -51.93      -0.42     0.23     16
  37       H     0.07     0.67     8.14     -51.93      -0.42     0.25     16
  38       H     0.11     1.02     8.11     -51.93      -0.42     0.60     16
  39       H     0.10     1.05     8.05     -51.93      -0.42     0.63     16
  40       H     0.09     0.84     8.14     -51.93      -0.42     0.42     16
  41       H     0.09     1.12     8.14     -51.93      -0.42     0.70     16
  42       H     0.12     2.20     5.03     -51.93      -0.26     1.94     16
 Total:         -1.00   -37.18   382.50                 -9.41   -46.59