REAL300024358185.mol2 50                                                        
   1       C    -0.15    -1.71     7.80      37.16       0.29    -1.42     16
   2       C     0.15     1.91     1.57     -89.97      -0.14     1.77     16
   3       C    -0.14    -1.55     7.79      37.16       0.29    -1.26     16
   4       O    -0.52    -8.35    14.19     -59.50      -0.84    -9.19     16
   5       C     0.24     1.88     6.33     -92.46      -0.59     1.29     16
   6       C    -0.16    -0.74     9.76     -26.78      -0.26    -1.01     16
   7       C    -0.15    -0.91     6.14     -90.95      -0.56    -1.47     16
   8       C     0.13     0.84     6.22      -4.76      -0.03     0.81     16
   9       N    -0.61    -4.72     3.02    -176.82      -0.53    -5.25     16
  10       C     0.54     6.38     7.65     -10.98      -0.08     6.30     16
  11       O    -0.50    -7.67    15.17       5.56       0.08    -7.59     16
  12       C    -0.16    -2.12     3.94      36.01       0.14    -1.98     16
  13       S     0.06     1.21    21.45    -107.50      -2.31    -1.10     16
  14       C     0.20     5.10     8.33     -88.20      -0.73     4.37     16
  15       N    -0.40    -9.71    11.98      30.72       0.37    -9.34     16
  16       N    -0.58   -15.37     7.39      27.70       0.20   -15.16     16
  17       C     0.58    18.08     9.41     -86.79      -0.82    17.26     16
  18       O    -0.65   -21.88    18.06       5.08       0.09   -21.79     16
  19       N    -0.65   -19.79    11.63     -16.34      -0.19   -19.98     16
  20       C     0.12     0.61     5.93      -5.67      -0.03     0.58     16
  21       C    -0.13    -0.79     5.97     -28.59      -0.17    -0.97     16
  22       O    -0.53    -8.39    13.90     -59.50      -0.83    -9.22     16
  23       C     0.15     1.95     1.57     -89.98      -0.14     1.80     16
  24       C    -0.14    -1.55     7.79      37.16       0.29    -1.26     16
  25       C    -0.15    -1.71     7.79      37.15       0.29    -1.42     16
  26       H     0.06     0.70     8.14     -51.93      -0.42     0.27     16
  27       H     0.06     0.56     7.10     -51.93      -0.37     0.19     16
  28       H     0.06     0.72     6.53     -51.93      -0.34     0.38     16
  29       H     0.07     0.75     6.52     -51.93      -0.34     0.41     16
  30       H     0.06     0.51     7.10     -51.93      -0.37     0.14     16
  31       H     0.06     0.68     8.14     -51.93      -0.42     0.25     16
  32       H     0.14     0.73     8.14     -51.93      -0.42     0.31     16
  33       H     0.14     0.24     8.12     -51.93      -0.42    -0.19     16
  34       H     0.16     1.17     7.97     -51.93      -0.41     0.75     16
  35       H     0.11     0.90     7.01     -51.93      -0.36     0.53     16
  36       H     0.09     0.39     8.12     -51.93      -0.42    -0.03     16
  37       H     0.12     1.46     7.79     -51.92      -0.40     1.06     16
  38       H     0.12     1.51     7.66     -51.92      -0.40     1.11     16
  39       H     0.40     9.18     8.96    -182.54      -1.64     7.55     16
  40       H     0.12     0.66     5.50     -51.93      -0.29     0.37     16
  41       H     0.09     0.22     8.14     -51.93      -0.42    -0.21     16
  42       H     0.12     0.58     8.14     -51.93      -0.42     0.16     16
  43       H     0.11     0.82     8.13     -51.93      -0.42     0.40     16
  44       H     0.06     0.66     8.14     -51.93      -0.42     0.24     16
  45       H     0.06     0.51     7.10     -51.93      -0.37     0.14     16
  46       H     0.07     0.74     6.52     -51.92      -0.34     0.40     16
  47       H     0.06     0.74     6.53     -51.93      -0.34     0.40     16
  48       H     0.06     0.55     7.10     -51.93      -0.37     0.18     16
  49       H     0.06     0.69     8.14     -51.93      -0.42     0.27     16
 Total:         -1.00   -43.38   401.51                -10.71   -54.09