REAL300009850704.mol2 44                                                        
   1       O    -0.67   -19.44    16.89     -20.23      -0.34   -19.78     16
   2       C     0.52    13.45     6.61      36.00       0.24    13.69     16
   3       O    -0.66   -19.47    17.76     -20.22      -0.36   -19.83     16
   4       C    -0.17    -3.20     0.58    -157.23      -0.09    -3.30     16
   5       C     0.56     9.64     3.63     -10.99      -0.04     9.60     16
   6       O    -0.52    -9.42    11.10       5.55       0.06    -9.35     16
   7       N    -0.66    -9.34     4.34      -9.88      -0.04    -9.38     16
   8       C     0.20     2.40     6.27     -83.75      -0.53     1.88     16
   9       C    -0.15    -1.35     9.69     -38.96      -0.38    -1.73     16
  10       C    -0.03    -0.24     5.74    -106.77      -0.61    -0.85     16
  11       C    -0.06    -0.35     9.73     -39.52      -0.38    -0.74     16
  12       C    -0.11    -0.94     9.65     -39.64      -0.38    -1.32     16
  13       C     0.32     3.58     9.78     -38.67      -0.38     3.20     16
  14       O    -0.68   -11.91    17.19     -57.73      -0.99   -12.91     16
  15       O    -0.68   -11.72    17.20     -57.73      -0.99   -12.71     16
  16       C    -0.08    -0.75     9.49     -38.78      -0.37    -1.12     16
  17       C    -0.04    -0.37     5.74    -106.81      -0.61    -0.99     16
  18       C    -0.08    -0.77     9.74     -39.48      -0.38    -1.15     16
  19       C    -0.09    -1.16     8.58     -39.76      -0.34    -1.50     16
  20       C    -0.07    -1.17     4.19     -26.92      -0.11    -1.28     16
  21       C    -0.61    -8.72     5.98      37.18       0.22    -8.50     16
  22       S     2.41    33.72     5.31    -107.50      -0.57    33.15     16
  23       O    -0.94   -15.65    17.94     -57.82      -1.04   -16.69     16
  24       O    -0.95   -15.44    18.10     -57.82      -1.05   -16.48     16
  25       C    -0.61    -7.22     6.05      37.18       0.22    -6.99     16
  26       C    -0.09    -1.28     4.14     -26.92      -0.11    -1.39     16
  27       H     0.42     5.22     7.72     -40.82      -0.32     4.91     16
  28       H     0.14     0.84     8.06     -52.48      -0.42     0.42     16
  29       H     0.17     0.47     8.06     -52.49      -0.42     0.04     16
  30       H     0.17     1.31     7.73     -52.49      -0.41     0.90     16
  31       H     0.33     4.80     8.90      45.56       0.41     5.20     16
  32       H     0.33     4.72     8.90      45.56       0.41     5.13     16
  33       H     0.18     1.63     7.73     -52.49      -0.41     1.23     16
  34       H     0.15     1.09     8.06     -52.48      -0.42     0.67     16
  35       H     0.16     2.34     6.23     -52.49      -0.33     2.01     16
  36       H     0.09     1.71     8.09     -51.93      -0.42     1.29     16
  37       H     0.10     1.67     8.01     -51.93      -0.42     1.25     16
  38       H     0.13     1.58     8.14     -51.93      -0.42     1.16     16
  39       H     0.16     2.26     5.16     -51.93      -0.27     1.99     16
  40       H     0.14     1.20     8.14     -51.93      -0.42     0.77     16
  41       H     0.12     1.32     6.30     -51.93      -0.33     1.00     16
  42       H     0.11     1.64     8.01     -51.93      -0.42     1.22     16
  43       H     0.09     1.16     7.30     -51.93      -0.38     0.79     16
 Total:         -1.00   -42.17   371.99                 -8.74   -50.91