REAL300031385889.mol2 43                                                        
   1       C    -0.14    -0.95     9.30      37.16       0.35    -0.60     16
   2       C    -0.11    -0.81     3.27     -88.47      -0.29    -1.10     16
   3       H     0.09     0.64     8.01     -51.93      -0.42     0.22     16
   4       C     0.11     0.86     6.40      -2.53      -0.02     0.85     16
   5       N    -0.61    -5.50     3.33    -176.29      -0.59    -6.08     16
   6       C     0.58     6.14     7.82     -12.21      -0.10     6.05     16
   7       O    -0.53    -6.87    16.59       5.34       0.09    -6.78     16
   8       C    -0.12    -1.13     5.88    -104.89      -0.62    -1.75     16
   9       C    -0.09    -0.81     8.60     -39.20      -0.34    -1.14     16
  10       C    -0.12    -1.28    10.08     -39.37      -0.40    -1.68     16
  11       C     0.28     3.52    10.27     -38.82      -0.40     3.12     16
  12       C    -0.09    -0.99     6.30    -104.38      -0.66    -1.64     16
  13       C    -0.04    -0.40     9.58     -39.23      -0.38    -0.77     16
  14       C     0.10     1.18     7.74      35.93       0.28     1.46     16
  15       O    -0.47    -8.38    15.05     -56.57      -0.85    -9.23     16
  16       O    -0.59   -11.01    18.54     -56.57      -1.05   -12.06     16
  17       C     0.06     0.58     4.63      -3.06      -0.01     0.57     16
  18       C     0.14     1.43     2.77     -66.09      -0.18     1.25     16
  19       H     0.11     1.30     7.42     -51.93      -0.39     0.91     16
  20       N    -0.72    -9.38     5.11     -53.07      -0.27    -9.65     16
  21       C     0.61    11.74     7.81     -12.48      -0.10    11.64     16
  22       O    -0.50   -11.36    15.37     -13.01      -0.20   -11.56     16
  23       C    -0.04    -0.92     6.69     -83.92      -0.56    -1.48     16
  24       N    -0.50    -9.49    10.83      24.02       0.26    -9.23     16
  25       S     0.44     8.28    24.20    -107.50      -2.60     5.68     16
  26       N    -0.59   -14.73    12.18      28.49       0.35   -14.38     16
  27       C     0.38    10.31     8.19     -17.49      -0.14    10.17     16
  28       O    -0.62   -20.02    17.64     -37.39      -0.66   -20.68     16
  29       H     0.06     0.43     8.11     -51.93      -0.42     0.01     16
  30       H     0.07     0.53     8.14     -51.93      -0.42     0.10     16
  31       H     0.06     0.34     8.14     -51.93      -0.42    -0.08     16
  32       H     0.09     0.68     7.98     -51.93      -0.41     0.26     16
  33       H     0.08     0.56     8.04     -51.93      -0.42     0.14     16
  34       H     0.19     1.58     2.72     -58.64      -0.16     1.42     16
  35       H     0.17     1.63     8.06     -52.48      -0.42     1.21     16
  36       H     0.17     1.32     7.65     -52.48      -0.40     0.92     16
  37       H     0.07     0.71     8.14     -51.93      -0.42     0.28     16
  38       H     0.07     0.70     8.14     -51.93      -0.42     0.28     16
  39       H     0.35     5.36     9.30      45.56       0.42     5.78     16
  40       H     0.09     0.85     6.75     -51.93      -0.35     0.50     16
  41       H     0.09     0.77     6.61     -51.93      -0.34     0.42     16
  42       H     0.41     4.71     8.05     -40.82      -0.33     4.38     16
 Total:         -1.00   -37.86   375.42                 -8.75   -46.62