REAL300024353062.mol2 40                                                        
   1       C    -0.13    -0.95     8.81      37.16       0.33    -0.62     16
   2       C     0.09     0.92     1.09     -90.83      -0.10     0.82     16
   3       C    -0.16    -1.48     8.56      37.16       0.32    -1.16     16
   4       C    -0.09    -0.61     4.67     -28.21      -0.13    -0.74     16
   5       C    -0.10    -0.80     5.24    -104.31      -0.55    -1.34     16
   6       C    -0.06    -0.27     9.72     -39.63      -0.39    -0.65     16
   7       C    -0.14    -0.66     9.94     -39.31      -0.39    -1.05     16
   8       C     0.19     1.60     6.28     -83.65      -0.53     1.08     16
   9       N    -0.67    -5.24     5.34      -9.84      -0.05    -5.30     16
  10       C     0.53     6.61     7.59     -10.99      -0.08     6.53     16
  11       O    -0.49    -7.96    13.56       5.55       0.08    -7.89     16
  12       C    -0.15    -2.13     5.67      36.01       0.20    -1.93     16
  13       S     0.07     1.32    21.45    -107.50      -2.31    -0.99     16
  14       C     0.20     5.21     8.33     -88.19      -0.73     4.48     16
  15       N    -0.40    -9.95    11.98      30.72       0.37    -9.58     16
  16       N    -0.58   -15.63     7.39      27.70       0.20   -15.43     16
  17       C     0.58    18.34     9.41     -86.79      -0.82    17.52     16
  18       O    -0.65   -22.11    18.06       5.08       0.09   -22.02     16
  19       N    -0.65   -20.12    11.63     -16.34      -0.19   -20.31     16
  20       C    -0.12    -1.41     8.47     -39.17      -0.33    -1.74     16
  21       C     0.26     3.03     8.12     -38.91      -0.32     2.71     16
  22       O    -0.58   -10.32    17.84     -57.22      -1.02   -11.34     16
  23       O    -0.42    -6.39    13.61     -57.22      -0.78    -7.16     16
  24       H     0.07     0.33     8.14     -51.93      -0.42    -0.10     16
  25       H     0.07     0.53     8.14     -51.93      -0.42     0.11     16
  26       H     0.06     0.47     8.14     -51.93      -0.42     0.04     16
  27       H     0.06     0.60     6.39     -51.93      -0.33     0.27     16
  28       H     0.06     0.62     8.14     -51.92      -0.42     0.19     16
  29       H     0.06     0.37     8.14     -51.93      -0.42    -0.06     16
  30       H     0.09     0.60     8.14     -51.93      -0.42     0.17     16
  31       H     0.09     0.33     8.12     -51.93      -0.42    -0.09     16
  32       H     0.16     0.12     8.06     -52.49      -0.42    -0.30     16
  33       H     0.15     0.23     8.06     -52.49      -0.42    -0.19     16
  34       H     0.42     1.69     8.82     -40.82      -0.36     1.33     16
  35       H     0.12     1.53     8.14     -51.91      -0.42     1.11     16
  36       H     0.12     1.59     8.14     -51.92      -0.42     1.17     16
  37       H     0.40     9.33     8.96    -182.54      -1.64     7.69     16
  38       H     0.18     2.61     6.39     -52.49      -0.34     2.28     16
  39       H     0.34     5.17     9.26      45.56       0.42     5.59     16
 Total:         -1.00   -42.89   351.97                 -8.71   -51.59