REAL300024353831.mol2 49                                                        
   1       C    -0.15    -1.40     7.78      37.16       0.29    -1.11     16
   2       C     0.15     1.82     1.57     -89.97      -0.14     1.68     16
   3       C    -0.15    -1.57     7.78      37.16       0.29    -1.28     16
   4       O    -0.56    -8.57    14.24     -59.50      -0.85    -9.42     16
   5       C     0.31     1.71     6.43     -26.69      -0.17     1.54     16
   6       C    -0.18    -0.89     6.08     -26.61      -0.16    -1.05     16
   7       C     0.12     0.48     6.34      -3.72      -0.02     0.46     16
   8       N    -0.62    -4.11     2.97    -172.78      -0.51    -4.62     16
   9       C     0.54     6.10     7.72     -10.99      -0.08     6.01     16
  10       O    -0.50    -7.36    15.28       5.56       0.08    -7.28     16
  11       C    -0.16    -2.07     4.02      36.00       0.14    -1.92     16
  12       S     0.06     1.20    21.45    -107.50      -2.31    -1.11     16
  13       C     0.20     5.09     8.33     -88.19      -0.73     4.36     16
  14       N    -0.40    -9.72    11.98      30.72       0.37    -9.36     16
  15       N    -0.58   -15.39     7.39      27.70       0.20   -15.19     16
  16       C     0.58    18.11     9.41     -86.79      -0.82    17.29     16
  17       O    -0.65   -21.89    18.06       5.07       0.09   -21.80     16
  18       N    -0.65   -19.80    11.63     -16.33      -0.19   -19.99     16
  19       C     0.13     0.58     6.43      -3.71      -0.02     0.55     16
  20       C    -0.17    -0.86     5.38     -26.61      -0.14    -1.00     16
  21       O    -0.55    -8.42    13.69     -59.50      -0.81    -9.23     16
  22       C     0.15     1.79     1.57     -89.97      -0.14     1.64     16
  23       C    -0.15    -1.39     7.79      37.16       0.29    -1.10     16
  24       C    -0.14    -1.56     7.79      37.16       0.29    -1.27     16
  25       H     0.06     0.42     6.90     -51.93      -0.36     0.06     16
  26       H     0.06     0.55     8.14     -51.93      -0.42     0.13     16
  27       H     0.06     0.50     6.71     -51.93      -0.35     0.16     16
  28       H     0.06     0.64     8.14     -51.93      -0.42     0.21     16
  29       H     0.06     0.77     6.71     -51.93      -0.35     0.42     16
  30       H     0.06     0.47     6.91     -51.93      -0.36     0.12     16
  31       H     0.13     0.27     8.14     -51.93      -0.42    -0.16     16
  32       H     0.11     0.73     8.14     -51.93      -0.42     0.31     16
  33       H     0.12     0.60     8.14     -51.93      -0.42     0.17     16
  34       H     0.09     0.12     8.14     -51.92      -0.42    -0.30     16
  35       H     0.13     0.55     5.93     -51.93      -0.31     0.25     16
  36       H     0.12     1.49     7.70     -51.91      -0.40     1.09     16
  37       H     0.12     1.43     7.94     -51.91      -0.41     1.02     16
  38       H     0.40     9.21     8.96    -182.55      -1.64     7.58     16
  39       H     0.09     0.15     8.14     -51.93      -0.42    -0.27     16
  40       H     0.13     0.76     7.01     -51.93      -0.36     0.40     16
  41       H     0.12     0.50     8.14     -51.93      -0.42     0.08     16
  42       H     0.11     0.81     8.14     -51.93      -0.42     0.38     16
  43       H     0.06     0.42     6.85     -51.93      -0.36     0.07     16
  44       H     0.06     0.55     8.14     -51.93      -0.42     0.12     16
  45       H     0.06     0.50     6.76     -51.93      -0.35     0.15     16
  46       H     0.06     0.78     6.77     -51.93      -0.35     0.43     16
  47       H     0.06     0.64     8.14     -51.93      -0.42     0.21     16
  48       H     0.06     0.48     6.85     -51.93      -0.36     0.12     16
 Total:         -1.00   -44.79   392.65                 -9.74   -54.53