REAL300024358186.mol2 49                                                        
   1       C    -0.14    -1.54     7.78      37.16       0.29    -1.25     16
   2       C     0.15     1.81     1.57     -89.98      -0.14     1.67     16
   3       C    -0.15    -1.54     7.79      37.16       0.29    -1.25     16
   4       O    -0.53    -8.51    14.24     -59.50      -0.85    -9.36     16
   5       C     0.29     2.11     6.62     -26.62      -0.18     1.93     16
   6       C    -0.16    -0.71     5.18     -26.69      -0.14    -0.85     16
   7       C    -0.12    -0.31     6.10     -26.39      -0.16    -0.48     16
   8       C     0.09     0.36     6.37      -3.48      -0.02     0.34     16
   9       N    -0.60    -4.59     2.97    -172.50      -0.51    -5.10     16
  10       C     0.54     6.39     7.72     -10.98      -0.08     6.30     16
  11       O    -0.50    -7.77    15.27       5.56       0.08    -7.69     16
  12       C    -0.15    -1.99     4.02      36.01       0.14    -1.85     16
  13       S     0.06     1.21    21.45    -107.50      -2.31    -1.09     16
  14       C     0.20     5.06     8.33     -88.20      -0.73     4.33     16
  15       N    -0.40    -9.61    11.98      30.71       0.37    -9.24     16
  16       N    -0.58   -15.20     7.39      27.70       0.20   -15.00     16
  17       C     0.58    17.97     9.41     -86.79      -0.82    17.15     16
  18       O    -0.65   -21.74    18.06       5.07       0.09   -21.65     16
  19       N    -0.65   -19.67    11.63     -16.34      -0.19   -19.87     16
  20       C     0.07     0.56     6.43      -3.72      -0.02     0.54     16
  21       O    -0.55    -7.98    13.65     -59.50      -0.81    -8.79     16
  22       C     0.15     1.79     1.56     -89.97      -0.14     1.65     16
  23       C    -0.14    -1.45     7.78      37.16       0.29    -1.16     16
  24       C    -0.15    -1.38     7.77      37.16       0.29    -1.09     16
  25       H     0.06     0.69     8.14     -51.93      -0.42     0.26     16
  26       H     0.06     0.48     7.00     -51.93      -0.36     0.11     16
  27       H     0.07     0.75     6.60     -51.93      -0.34     0.40     16
  28       H     0.06     0.59     6.62     -51.93      -0.34     0.24     16
  29       H     0.06     0.47     7.01     -51.93      -0.36     0.10     16
  30       H     0.07     0.68     8.14     -51.93      -0.42     0.26     16
  31       H     0.13     0.84     8.14     -51.93      -0.42     0.42     16
  32       H     0.11     0.54     8.14     -51.93      -0.42     0.12     16
  33       H     0.10     0.46     8.14     -51.93      -0.42     0.04     16
  34       H     0.09     0.23     8.14     -51.93      -0.42    -0.19     16
  35       H     0.11     0.10     8.14     -51.93      -0.42    -0.33     16
  36       H     0.09     0.25     8.14     -51.93      -0.42    -0.18     16
  37       H     0.11     0.49     5.93     -51.93      -0.31     0.18     16
  38       H     0.12     1.43     7.70     -51.92      -0.40     1.03     16
  39       H     0.12     1.47     7.93     -51.92      -0.41     1.06     16
  40       H     0.40     9.05     8.96    -182.55      -1.64     7.42     16
  41       H     0.13     1.31     7.01     -51.92      -0.36     0.94     16
  42       H     0.10     0.64     8.14     -51.93      -0.42     0.22     16
  43       H     0.06     0.46     6.90     -51.93      -0.36     0.10     16
  44       H     0.06     0.59     8.14     -51.93      -0.42     0.17     16
  45       H     0.06     0.72     6.72     -51.93      -0.35     0.37     16
  46       H     0.06     0.53     6.73     -51.93      -0.35     0.18     16
  47       H     0.06     0.53     8.14     -51.93      -0.42     0.11     16
  48       H     0.06     0.44     6.91     -51.93      -0.36     0.08     16
 Total:         -1.00   -43.02   392.66                 -9.74   -52.76